
Text      	Cangrelor_theoretical_774.948Da_1ppm_5iae
Composition	C:0-66 H:0-152 N:0-25 O:0-28 F:0-12 P:0-12 S:0-12 Cl:0-14 Br:0-10 
Tol (mmu)	0.8
Measured	774.9480
Charge  	+0.0
C22.N13.O17.F3.		28.0	774.9487	-0.7 mmu 
C23.H7.N3.O21.F6.		19.0	774.9476	+0.4 mmu 
C33.N5.O11.F7.		33.0	774.9483	-0.3 mmu 
C17.N13.O16.F7.		21.0	774.9474	+0.6 mmu 
C20.H8.N3.O22.F7.		15.0	774.9488	-0.8 mmu 
C32.H10.N1.O21.P1.		30.0	774.9483	-0.3 mmu 
C51.N1.O5.F2.P1.		53.0	774.9482	-0.2 mmu 
C35.N9.O10.F2.P1.		41.0	774.9474	+0.6 mmu 
C22.H8.N7.O21.F2.P1.		23.0	774.9479	+0.1 mmu 
C28.H6.N5.O16.F4.P1.		28.0	774.9483	-0.3 mmu 
C24.H11.N1.O21.F5.P1.		19.0	774.9481	-0.1 mmu 
C18.H4.N11.O16.F6.P1.		21.0	774.9479	+0.1 mmu 
C20.H7.N5.O16.F9.P1.		17.0	774.9482	-0.2 mmu 
C14.N15.O11.F10.P1.		19.0	774.9480	+0.0 mmu 
C27.H7.N9.O16.P2.		32.0	774.9486	-0.6 mmu 
C26.H11.N5.O20.P2.		27.0	774.9473	+0.7 mmu 
C21.N19.O11.F1.P2.		34.0	774.9484	-0.4 mmu 
C23.H12.N5.O21.F1.P2.		23.0	774.9484	-0.4 mmu 
C32.H9.N3.O15.F2.P2.		32.0	774.9477	+0.3 mmu 
C17.H5.N15.O16.F2.P2.		25.0	774.9482	-0.2 mmu 
C22.H7.N9.O15.F4.P2.		25.0	774.9473	+0.7 mmu 
C48.N3.F5.P2.		51.0	774.9488	-0.8 mmu 
C32.N11.O5.F5.P2.		39.0	774.9479	+0.1 mmu 
C19.H8.N9.O16.F5.P2.		21.0	774.9484	-0.4 mmu 
C24.H10.N3.O15.F7.P2.		21.0	774.9475	+0.5 mmu 
C21.H11.N3.O16.F8.P2.		17.0	774.9487	-0.7 mmu 
C30.H8.N1.O10.F9.P2.		26.0	774.9480	+0.0 mmu 
C15.H4.N13.O11.F9.P2.		19.0	774.9485	-0.5 mmu 
C20.H6.N7.O10.F11.P2.		19.0	774.9476	+0.4 mmu 
C17.H7.N7.O11.F12.P2.		15.0	774.9487	-0.7 mmu 
C16.H11.N3.O15.F12.P2.		10.0	774.9474	+0.6 mmu 
C37.H8.N5.O10.P3.		41.0	774.9484	-0.4 mmu 
C21.H8.N13.O15.P3.		29.0	774.9476	+0.4 mmu 
C33.H13.N1.O15.F1.P3.		32.0	774.9482	-0.2 mmu 
C18.H9.N13.O16.F1.P3.		25.0	774.9487	-0.7 mmu 
C17.H13.N9.O20.F1.P3.		20.0	774.9474	+0.6 mmu 
C27.H6.N11.O10.F2.P3.		34.0	774.9480	-0.0 mmu 
C23.H11.N7.O15.F3.P3.		25.0	774.9478	+0.2 mmu 
C17.H4.N17.O10.F4.P3.		27.0	774.9476	+0.4 mmu 
C19.H16.N3.O20.F4.P3.		16.0	774.9476	+0.4 mmu 
C29.H9.N5.O10.F5.P3.		30.0	774.9482	-0.2 mmu 
C14.H5.N17.O11.F5.P3.		23.0	774.9487	-0.7 mmu 
C13.H9.N13.O15.F5.P3.		18.0	774.9474	+0.6 mmu 
C25.H14.N1.O15.F6.P3.		21.0	774.9480	-0.0 mmu 
C35.H7.N3.O5.F7.P3.		35.0	774.9487	-0.7 mmu 
C19.H7.N11.O10.F7.P3.		23.0	774.9478	+0.2 mmu 
C29.N13.F8.P3.		37.0	774.9485	-0.5 mmu 
C13.N21.O5.F8.P3.		25.0	774.9476	+0.4 mmu 
C15.H12.N7.O15.F8.P3.		14.0	774.9476	+0.4 mmu 
C25.H5.N9.O5.F9.P3.		28.0	774.9483	-0.3 mmu 
C21.H10.N5.O10.F10.P3.		19.0	774.9481	-0.1 mmu 
C30.H7.N3.O4.F11.P3.		28.0	774.9474	+0.6 mmu 
C15.H3.N15.O5.F11.P3.		21.0	774.9479	+0.1 mmu 
C17.H15.N1.O15.F11.P3.		10.0	774.9479	+0.1 mmu 
C27.H8.N3.O5.F12.P3.		24.0	774.9485	-0.5 mmu 
C11.H8.N11.O10.F12.P3.		12.0	774.9477	+0.3 mmu 
C31.H9.N9.O9.P4.		38.0	774.9474	+0.6 mmu 
C16.H5.N21.O10.P4.		31.0	774.9479	+0.1 mmu 
C18.H17.N7.O20.P4.		20.0	774.9479	+0.1 mmu 
C28.H10.N9.O10.F1.P4.		34.0	774.9485	-0.5 mmu 
C24.H15.N5.O15.F2.P4.		25.0	774.9483	-0.3 mmu 
C33.H12.N3.O9.F3.P4.		34.0	774.9476	+0.4 mmu 
C18.H8.N15.O10.F3.P4.		27.0	774.9481	-0.1 mmu 
C20.H20.N1.O20.F3.P4.		16.0	774.9481	-0.1 mmu 
C30.H13.N3.O10.F4.P4.		30.0	774.9488	-0.8 mmu 
C14.H13.N11.O15.F4.P4.		18.0	774.9479	+0.1 mmu 
C39.H10.N1.O4.F5.P4.		39.0	774.9480	-0.0 mmu 
C24.H6.N13.O5.F5.P4.		32.0	774.9485	-0.5 mmu 
C20.H11.N9.O10.F6.P4.		23.0	774.9484	-0.4 mmu 
C29.H8.N7.O4.F7.P4.		32.0	774.9476	+0.4 mmu 
C14.H4.N19.O5.F7.P4.		25.0	774.9481	-0.1 mmu 
C16.H16.N5.O15.F7.P4.		14.0	774.9482	-0.2 mmu 
C25.H13.N3.O9.F8.P4.		23.0	774.9475	+0.5 mmu 
C19.H6.N13.O4.F9.P4.		25.0	774.9472	+0.8 mmu 
C22.H14.N3.O10.F9.P4.		19.0	774.9486	-0.6 mmu 
C31.H11.N1.O4.F10.P4.		28.0	774.9479	+0.1 mmu 
C16.H7.N13.O5.F10.P4.		21.0	774.9484	-0.4 mmu 
C21.H9.N7.O4.F12.P4.		21.0	774.9475	+0.5 mmu 
C26.H6.N17.O4.P5.		40.0	774.9477	+0.3 mmu 
C28.H18.N3.O14.P5.		29.0	774.9477	+0.3 mmu 
C38.H11.N5.O4.F1.P5.		43.0	774.9483	-0.3 mmu 
C22.H11.N13.O9.F1.P5.		31.0	774.9475	+0.5 mmu 
C16.H4.N23.O4.F2.P5.		33.0	774.9473	+0.7 mmu 
C34.H16.N1.O9.F2.P5.		34.0	774.9481	-0.1 mmu 
C19.H12.N13.O10.F2.P5.		27.0	774.9486	-0.6 mmu 
C18.H16.N9.O14.F2.P5.		22.0	774.9473	+0.7 mmu 
C28.H9.N11.O4.F3.P5.		36.0	774.9479	+0.1 mmu 
C24.H14.N7.O9.F4.P5.		27.0	774.9477	+0.3 mmu 
C18.H7.N17.O4.F5.P5.		29.0	774.9475	+0.5 mmu 
C20.H19.N3.O14.F5.P5.		18.0	774.9475	+0.5 mmu 
C30.H12.N5.O4.F6.P5.		32.0	774.9482	-0.2 mmu 
C17.H20.N3.O15.F6.P5.		14.0	774.9487	-0.7 mmu 
C26.H17.N1.O9.F7.P5.		23.0	774.9480	+0.0 mmu 
C20.H10.N11.O4.F8.P5.		25.0	774.9478	+0.2 mmu 
C16.H15.N7.O9.F9.P5.		16.0	774.9476	+0.4 mmu 
C22.H13.N5.O4.F11.P5.		21.0	774.9480	+0.0 mmu 
C18.H18.N1.O9.F12.P5.		12.0	774.9478	+0.2 mmu 
C23.H15.N11.O9.P6.		31.0	774.9480	+0.0 mmu 
C32.H12.N9.O3.F1.P6.		40.0	774.9473	+0.7 mmu 
C19.H20.N7.O14.F1.P6.		22.0	774.9478	+0.2 mmu 
C29.H13.N9.O4.F2.P6.		36.0	774.9484	-0.4 mmu 
C25.H18.N5.O9.F3.P6.		27.0	774.9482	-0.2 mmu 
C34.H15.N3.O3.F4.P6.		36.0	774.9475	+0.5 mmu 
C19.H11.N15.O4.F4.P6.		29.0	774.9480	-0.0 mmu 
C21.H23.N1.O14.F4.P6.		18.0	774.9480	-0.0 mmu 
C31.H16.N3.O4.F5.P6.		32.0	774.9487	-0.7 mmu 
C21.H14.N9.O4.F7.P6.		25.0	774.9483	-0.3 mmu 
C26.H16.N3.O3.F9.P6.		25.0	774.9474	+0.6 mmu 
C23.H17.N3.O4.F10.P6.		21.0	774.9485	-0.5 mmu 
C33.H16.N7.O3.P7.		40.0	774.9478	+0.2 mmu 
C29.H21.N3.O8.F1.P7.		31.0	774.9476	+0.4 mmu 
C23.H14.N13.O3.F2.P7.		33.0	774.9474	+0.6 mmu 
C26.H22.N3.O9.F2.P7.		27.0	774.9487	-0.7 mmu 
C35.H19.N1.O3.F3.P7.		36.0	774.9480	-0.0 mmu 
C25.H17.N7.O3.F5.P7.		29.0	774.9476	+0.4 mmu 
C27.H20.N1.O3.F8.P7.		25.0	774.9479	+0.1 mmu 
C30.H25.N1.O8.P8.		31.0	774.9481	-0.1 mmu 
C26.H21.N5.O3.F4.P8.		29.0	774.9481	-0.1 mmu 
C30.H24.N3.O2.F2.P9.		33.0	774.9475	+0.5 mmu 
C24.H6.N9.O19.F1.S1.		28.0	774.9485	-0.5 mmu 
C20.H11.N5.O24.F2.S1.		19.0	774.9483	-0.3 mmu 
C29.H8.N3.O18.F3.S1.		28.0	774.9476	+0.4 mmu 
C26.H9.N3.O19.F4.S1.		24.0	774.9487	-0.7 mmu 
C16.H7.N9.O19.F6.S1.		17.0	774.9483	-0.3 mmu 
C22.H5.N7.O14.F8.S1.		22.0	774.9487	-0.7 mmu 
C21.H9.N3.O18.F8.S1.		17.0	774.9474	+0.6 mmu 
C18.H10.N3.O19.F9.S1.		13.0	774.9485	-0.5 mmu 
C27.H7.N1.O13.F10.S1.		22.0	774.9478	+0.2 mmu 
C12.H3.N13.O14.F10.S1.		15.0	774.9483	-0.3 mmu 
C37.N3.O3.F11.S1.		36.0	774.9485	-0.5 mmu 
C21.N11.O8.F11.S1.		24.0	774.9476	+0.4 mmu 
C17.H5.N7.O13.F12.S1.		15.0	774.9474	+0.6 mmu 
C24.H14.N3.O23.P1.S1.		23.0	774.9476	+0.4 mmu 
C34.H7.N5.O13.F1.P1.S1.		37.0	774.9483	-0.3 mmu 
C18.H7.N13.O18.F1.P1.S1.		25.0	774.9474	+0.6 mmu 
C28.N15.O8.F2.P1.S1.		39.0	774.9481	-0.1 mmu 
C12.N23.O13.F2.P1.S1.		27.0	774.9472	+0.8 mmu 
C30.H12.N1.O18.F2.P1.S1.		28.0	774.9481	-0.1 mmu 
C24.H5.N11.O13.F3.P1.S1.		30.0	774.9479	+0.1 mmu 
C20.H10.N7.O18.F4.P1.S1.		21.0	774.9477	+0.3 mmu 
C14.H3.N17.O13.F5.P1.S1.		23.0	774.9475	+0.5 mmu 
C39.N7.O2.F6.P1.S1.		44.0	774.9476	+0.4 mmu 
C26.H8.N5.O13.F6.P1.S1.		26.0	774.9481	-0.1 mmu 
C22.H13.N1.O18.F7.P1.S1.		17.0	774.9479	+0.1 mmu 
C16.H6.N11.O13.F8.P1.S1.		19.0	774.9477	+0.3 mmu 
C18.H9.N5.O13.F11.P1.S1.		15.0	774.9480	+0.0 mmu 
C27.H6.N3.O7.F12.P1.S1.		24.0	774.9472	+0.8 mmu 
C19.H11.N11.O18.P2.S1.		25.0	774.9479	+0.1 mmu 
C28.H8.N9.O12.F1.P2.S1.		34.0	774.9472	+0.8 mmu 
C13.H4.N21.O13.F1.P2.S1.		27.0	774.9477	+0.3 mmu 
C25.H9.N9.O13.F2.P2.S1.		30.0	774.9484	-0.4 mmu 
C21.H14.N5.O18.F3.P2.S1.		21.0	774.9482	-0.2 mmu 
C30.H11.N3.O12.F4.P2.S1.		30.0	774.9475	+0.5 mmu 
C15.H7.N15.O13.F4.P2.S1.		23.0	774.9480	+0.0 mmu 
C25.N17.O3.F5.P2.S1.		37.0	774.9486	-0.6 mmu 
C27.H12.N3.O13.F5.P2.S1.		26.0	774.9486	-0.6 mmu 
C36.H9.N1.O7.F6.P2.S1.		35.0	774.9479	+0.1 mmu 
C21.H5.N13.O8.F6.P2.S1.		28.0	774.9484	-0.4 mmu 
C17.H10.N9.O13.F7.P2.S1.		19.0	774.9482	-0.2 mmu 
C26.H7.N7.O7.F8.P2.S1.		28.0	774.9475	+0.5 mmu 
C11.H3.N19.O8.F8.P2.S1.		21.0	774.9480	-0.0 mmu 
C20.N17.O2.F9.P2.S1.		30.0	774.9473	+0.7 mmu 
C23.H8.N7.O8.F9.P2.S1.		24.0	774.9487	-0.7 mmu 
C22.H12.N3.O12.F9.P2.S1.		19.0	774.9473	+0.7 mmu 
C19.H13.N3.O13.F10.P2.S1.		15.0	774.9485	-0.5 mmu 
C28.H10.N1.O7.F11.P2.S1.		24.0	774.9478	+0.2 mmu 
C13.H6.N13.O8.F11.P2.S1.		17.0	774.9483	-0.3 mmu 
C27.N21.O2.P3.S1.		45.0	774.9477	+0.3 mmu 
C29.H12.N7.O12.P3.S1.		34.0	774.9477	+0.3 mmu 
C14.H8.N19.O13.P3.S1.		27.0	774.9483	-0.3 mmu 
C23.H5.N17.O7.F1.P3.S1.		36.0	774.9475	+0.5 mmu 
C25.H17.N3.O17.F1.P3.S1.		25.0	774.9476	+0.4 mmu 
C35.H10.N5.O7.F2.P3.S1.		39.0	774.9482	-0.2 mmu 
C20.H6.N17.O8.F2.P3.S1.		32.0	774.9487	-0.7 mmu 
C19.H10.N13.O12.F2.P3.S1.		27.0	774.9473	+0.7 mmu 
C22.H18.N3.O18.F2.P3.S1.		21.0	774.9487	-0.7 mmu 
C31.H15.N1.O12.F3.P3.S1.		30.0	774.9480	+0.0 mmu 
C16.H11.N13.O13.F3.P3.S1.		23.0	774.9485	-0.5 mmu 
C25.H8.N11.O7.F4.P3.S1.		32.0	774.9478	+0.2 mmu 
C21.H13.N7.O12.F5.P3.S1.		23.0	774.9476	+0.4 mmu 
C15.H6.N17.O7.F6.P3.S1.		25.0	774.9474	+0.6 mmu 
C18.H14.N7.O13.F6.P3.S1.		19.0	774.9487	-0.7 mmu 
C17.H18.N3.O17.F6.P3.S1.		14.0	774.9474	+0.6 mmu 
C27.H11.N5.O7.F7.P3.S1.		28.0	774.9480	-0.0 mmu 
C12.H7.N17.O8.F7.P3.S1.		21.0	774.9485	-0.5 mmu 
C36.H8.N3.O1.F8.P3.S1.		37.0	774.9473	+0.7 mmu 
C23.H16.N1.O12.F8.P3.S1.		19.0	774.9478	+0.2 mmu 
C33.H9.N3.O2.F9.P3.S1.		33.0	774.9485	-0.5 mmu 
C17.H9.N11.O7.F9.P3.S1.		21.0	774.9476	+0.4 mmu 
C14.H10.N11.O8.F10.P3.S1.		17.0	774.9488	-0.8 mmu 
C13.H14.N7.O12.F10.P3.S1.		12.0	774.9474	+0.6 mmu 
C23.H7.N9.O2.F11.P3.S1.		26.0	774.9481	-0.1 mmu 
C19.H12.N5.O7.F12.P3.S1.		17.0	774.9479	+0.1 mmu 
C39.H13.N3.O6.P4.S1.		43.0	774.9476	+0.4 mmu 
C24.H9.N15.O7.P4.S1.		36.0	774.9481	-0.1 mmu 
C26.H21.N1.O17.P4.S1.		25.0	774.9481	-0.1 mmu 
C36.H14.N3.O7.F1.P4.S1.		39.0	774.9487	-0.7 mmu 
C20.H14.N11.O12.F1.P4.S1.		27.0	774.9479	+0.1 mmu 
C45.H11.N1.O1.F2.P4.S1.		48.0	774.9480	+0.0 mmu 
C30.H7.N13.O2.F2.P4.S1.		41.0	774.9485	-0.5 mmu 
C14.H7.N21.O7.F2.P4.S1.		29.0	774.9477	+0.3 mmu 
C16.H19.N7.O17.F2.P4.S1.		18.0	774.9477	+0.3 mmu 
C26.H12.N9.O7.F3.P4.S1.		32.0	774.9483	-0.3 mmu 
C35.H9.N7.O1.F4.P4.S1.		41.0	774.9476	+0.4 mmu 
C20.H5.N19.O2.F4.P4.S1.		34.0	774.9481	-0.1 mmu 
C22.H17.N5.O12.F4.P4.S1.		23.0	774.9481	-0.1 mmu 
C32.H10.N7.O2.F5.P4.S1.		37.0	774.9487	-0.7 mmu 
C31.H14.N3.O6.F5.P4.S1.		32.0	774.9474	+0.6 mmu 
C16.H10.N15.O7.F5.P4.S1.		25.0	774.9479	+0.1 mmu 
C18.H22.N1.O17.F5.P4.S1.		14.0	774.9479	+0.1 mmu 
C28.H15.N3.O7.F6.P4.S1.		28.0	774.9485	-0.5 mmu 
C37.H12.N1.O1.F7.P4.S1.		37.0	774.9478	+0.2 mmu 
C22.H8.N13.O2.F7.P4.S1.		30.0	774.9483	-0.3 mmu 
C18.H13.N9.O7.F8.P4.S1.		21.0	774.9481	-0.1 mmu 
C27.H10.N7.O1.F9.P4.S1.		30.0	774.9474	+0.6 mmu 
C14.H18.N5.O12.F9.P4.S1.		12.0	774.9479	+0.1 mmu 
C24.H11.N7.O2.F10.P4.S1.		26.0	774.9486	-0.6 mmu 
C23.H15.N3.O6.F10.P4.S1.		21.0	774.9472	+0.8 mmu 
C20.H16.N3.O7.F11.P4.S1.		17.0	774.9484	-0.4 mmu 
C29.H13.N1.O1.F12.P4.S1.		26.0	774.9477	+0.3 mmu 
C14.H9.N13.O2.F12.P4.S1.		19.0	774.9482	-0.2 mmu 
C34.H10.N11.O1.P5.S1.		45.0	774.9479	+0.1 mmu 
C19.H6.N23.O2.P5.S1.		38.0	774.9484	-0.4 mmu 
C21.H18.N9.O12.P5.S1.		27.0	774.9484	-0.4 mmu 
C30.H15.N7.O6.F1.P5.S1.		36.0	774.9477	+0.3 mmu 
C17.H23.N5.O17.F1.P5.S1.		18.0	774.9482	-0.2 mmu 
C24.H8.N17.O1.F2.P5.S1.		38.0	774.9475	+0.5 mmu 
C26.H20.N3.O11.F2.P5.S1.		27.0	774.9475	+0.5 mmu 
C36.H13.N5.O1.F3.P5.S1.		41.0	774.9481	-0.1 mmu 
C21.H9.N17.O2.F3.P5.S1.		34.0	774.9486	-0.6 mmu 
C20.H13.N13.O6.F3.P5.S1.		29.0	774.9473	+0.7 mmu 
C23.H21.N3.O12.F3.P5.S1.		23.0	774.9486	-0.6 mmu 
C32.H18.N1.O6.F4.P5.S1.		32.0	774.9479	+0.1 mmu 
C17.H14.N13.O7.F4.P5.S1.		25.0	774.9484	-0.4 mmu 
C26.H11.N11.O1.F5.P5.S1.		34.0	774.9477	+0.3 mmu 
C22.H16.N7.O6.F6.P5.S1.		25.0	774.9475	+0.5 mmu 
C16.H9.N17.O1.F7.P5.S1.		27.0	774.9473	+0.7 mmu 
C19.H17.N7.O7.F7.P5.S1.		21.0	774.9486	-0.6 mmu 
C18.H21.N3.O11.F7.P5.S1.		16.0	774.9473	+0.7 mmu 
C28.H14.N5.O1.F8.P5.S1.		30.0	774.9479	+0.1 mmu 
C24.H19.N1.O6.F9.P5.S1.		21.0	774.9477	+0.3 mmu 
C18.H12.N11.O1.F10.P5.S1.		23.0	774.9475	+0.5 mmu 
C31.H19.N5.O6.P6.S1.		36.0	774.9482	-0.2 mmu 
C40.H16.N3.F1.P6.S1.		45.0	774.9475	+0.5 mmu 
C25.H12.N15.O1.F1.P6.S1.		38.0	774.9480	+0.0 mmu 
C27.H24.N1.O11.F1.P6.S1.		27.0	774.9480	+0.0 mmu 
C37.H17.N3.O1.F2.P6.S1.		41.0	774.9486	-0.6 mmu 
C21.H17.N11.O6.F2.P6.S1.		29.0	774.9478	+0.2 mmu 
C27.H15.N9.O1.F4.P6.S1.		34.0	774.9482	-0.2 mmu 
C23.H20.N5.O6.F5.P6.S1.		25.0	774.9480	-0.0 mmu 
C32.H17.N3.F6.P6.S1.		34.0	774.9473	+0.7 mmu 
C19.H25.N1.O11.F6.P6.S1.		16.0	774.9478	+0.2 mmu 
C29.H18.N3.O1.F7.P6.S1.		30.0	774.9484	-0.4 mmu 
C19.H16.N9.O1.F9.P6.S1.		23.0	774.9480	-0.0 mmu 
C21.H19.N3.O1.F12.P6.S1.		19.0	774.9483	-0.3 mmu 
C41.H20.N1.P7.S1.		45.0	774.9480	+0.0 mmu 
C26.H16.N13.O1.P7.S1.		38.0	774.9485	-0.5 mmu 
C22.H21.N9.O6.F1.P7.S1.		29.0	774.9483	-0.3 mmu 
C31.H18.N7.F2.P7.S1.		38.0	774.9476	+0.4 mmu 
C28.H19.N7.O1.F3.P7.S1.		34.0	774.9487	-0.7 mmu 
C27.H23.N3.O5.F3.P7.S1.		29.0	774.9474	+0.6 mmu 
C24.H24.N3.O6.F4.P7.S1.		25.0	774.9485	-0.5 mmu 
C33.H21.N1.F5.P7.S1.		34.0	774.9478	+0.2 mmu 
C23.H19.N7.F7.P7.S1.		27.0	774.9474	+0.6 mmu 
C25.H22.N1.F10.P7.S1.		23.0	774.9477	+0.3 mmu 
C32.H22.N5.F1.P8.S1.		38.0	774.9481	-0.1 mmu 
C28.H27.N1.O5.F2.P8.S1.		29.0	774.9479	+0.1 mmu 
C33.H26.N3.P9.S1.		38.0	774.9486	-0.6 mmu 
C35.H9.N3.O15.S2.		37.0	774.9475	+0.5 mmu 
C20.H5.N15.O16.S2.		30.0	774.9480	-0.0 mmu 
C22.H17.N1.O26.S2.		19.0	774.9480	-0.0 mmu 
C32.H10.N3.O16.F1.S2.		33.0	774.9487	-0.7 mmu 
C51.N3.F3.S2.		56.0	774.9486	-0.6 mmu 
C35.N11.O5.F3.S2.		44.0	774.9477	+0.3 mmu 
C22.H8.N9.O16.F3.S2.		26.0	774.9483	-0.3 mmu 
C18.H13.N5.O21.F4.S2.		17.0	774.9481	-0.1 mmu 
C28.H6.N7.O11.F5.S2.		31.0	774.9487	-0.7 mmu 
C27.H10.N3.O15.F5.S2.		26.0	774.9473	+0.7 mmu 
C24.H11.N3.O16.F6.S2.		22.0	774.9485	-0.5 mmu 
C33.H8.N1.O10.F7.S2.		31.0	774.9478	+0.2 mmu 
C18.H4.N13.O11.F7.S2.		24.0	774.9483	-0.3 mmu 
C14.H9.N9.O16.F8.S2.		15.0	774.9481	-0.1 mmu 
C23.H6.N7.O10.F9.S2.		24.0	774.9474	+0.6 mmu 
C20.H7.N7.O11.F10.S2.		20.0	774.9485	-0.5 mmu 
C14.N17.O6.F11.S2.		22.0	774.9483	-0.3 mmu 
C16.H12.N3.O16.F11.S2.		11.0	774.9483	-0.3 mmu 
C25.H9.N1.O10.F12.S2.		20.0	774.9476	+0.4 mmu 
C10.H5.N13.O11.F12.S2.		13.0	774.9481	-0.1 mmu 
C30.H6.N11.O10.P1.S2.		39.0	774.9478	+0.2 mmu 
C26.H11.N7.O15.F1.P1.S2.		30.0	774.9476	+0.4 mmu 
C21.N21.O6.F2.P1.S2.		37.0	774.9488	-0.8 mmu 
C20.H4.N17.O10.F2.P1.S2.		32.0	774.9474	+0.6 mmu 
C23.H12.N7.O16.F2.P1.S2.		26.0	774.9488	-0.8 mmu 
C22.H16.N3.O20.F2.P1.S2.		21.0	774.9474	+0.6 mmu 
C32.H9.N5.O10.F3.P1.S2.		35.0	774.9481	-0.1 mmu 
C17.H5.N17.O11.F3.P1.S2.		28.0	774.9486	-0.6 mmu 
C19.H17.N3.O21.F3.P1.S2.		17.0	774.9486	-0.6 mmu 
C28.H14.N1.O15.F4.P1.S2.		26.0	774.9479	+0.1 mmu 
C22.H7.N11.O10.F5.P1.S2.		28.0	774.9477	+0.3 mmu 
C32.N13.F6.P1.S2.		42.0	774.9483	-0.3 mmu 
C16.N21.O5.F6.P1.S2.		30.0	774.9474	+0.6 mmu 
C18.H12.N7.O15.F6.P1.S2.		19.0	774.9475	+0.5 mmu 
C12.H5.N17.O10.F7.P1.S2.		21.0	774.9473	+0.7 mmu 
C15.H13.N7.O16.F7.P1.S2.		15.0	774.9486	-0.6 mmu 
C24.H10.N5.O10.F8.P1.S2.		24.0	774.9479	+0.1 mmu 
C20.H15.N1.O15.F9.P1.S2.		15.0	774.9477	+0.3 mmu 
C30.H8.N3.O5.F10.P1.S2.		29.0	774.9483	-0.3 mmu 
C14.H8.N11.O10.F10.P1.S2.		17.0	774.9475	+0.5 mmu 
C11.H9.N11.O11.F11.P1.S2.		13.0	774.9486	-0.6 mmu 
C20.H6.N9.O5.F12.P1.S2.		22.0	774.9479	+0.1 mmu 
C27.H15.N5.O15.P2.S2.		30.0	774.9481	-0.1 mmu 
C37.H8.N7.O5.F1.P2.S2.		44.0	774.9488	-0.8 mmu 
C36.H12.N3.O9.F1.P2.S2.		39.0	774.9474	+0.6 mmu 
C21.H8.N15.O10.F1.P2.S2.		32.0	774.9479	+0.1 mmu 
C23.H20.N1.O20.F1.P2.S2.		21.0	774.9479	+0.1 mmu 
C33.H13.N3.O10.F2.P2.S2.		35.0	774.9486	-0.6 mmu 
C17.H13.N11.O15.F2.P2.S2.		23.0	774.9477	+0.3 mmu 
C42.H10.N1.O4.F3.P2.S2.		44.0	774.9479	+0.1 mmu 
C27.H6.N13.O5.F3.P2.S2.		37.0	774.9484	-0.4 mmu 
C11.H6.N21.O10.F3.P2.S2.		25.0	774.9475	+0.5 mmu 
C23.H11.N9.O10.F4.P2.S2.		28.0	774.9482	-0.2 mmu 
C32.H8.N7.O4.F5.P2.S2.		37.0	774.9475	+0.5 mmu 
C17.H4.N19.O5.F5.P2.S2.		30.0	774.9480	+0.0 mmu 
C19.H16.N5.O15.F5.P2.S2.		19.0	774.9480	+0.0 mmu 
C29.H9.N7.O5.F6.P2.S2.		33.0	774.9486	-0.6 mmu 
C28.H13.N3.O9.F6.P2.S2.		28.0	774.9473	+0.7 mmu 
C13.H9.N15.O10.F6.P2.S2.		21.0	774.9478	+0.2 mmu 
C25.H14.N3.O10.F7.P2.S2.		24.0	774.9484	-0.4 mmu 
C34.H11.N1.O4.F8.P2.S2.		33.0	774.9477	+0.3 mmu 
C19.H7.N13.O5.F8.P2.S2.		26.0	774.9482	-0.2 mmu 
C13.N23.F9.P2.S2.		28.0	774.9480	+0.0 mmu 
C15.H12.N9.O10.F9.P2.S2.		17.0	774.9480	-0.0 mmu 
C25.H5.N11.F10.P2.S2.		31.0	774.9486	-0.6 mmu 
C24.H9.N7.O4.F10.P2.S2.		26.0	774.9473	+0.7 mmu 
C21.H10.N7.O5.F11.P2.S2.		22.0	774.9484	-0.4 mmu 
C15.H3.N17.F12.P2.S2.		24.0	774.9482	-0.2 mmu 
C17.H15.N3.O10.F12.P2.S2.		13.0	774.9482	-0.2 mmu 
C37.H16.N1.O9.P3.S2.		39.0	774.9479	+0.1 mmu 
C22.H12.N13.O10.P3.S2.		32.0	774.9484	-0.4 mmu 
C31.H9.N11.O4.F1.P3.S2.		41.0	774.9477	+0.3 mmu 
C16.H5.N23.O5.F1.P3.S2.		34.0	774.9482	-0.2 mmu 
C18.H17.N9.O15.F1.P3.S2.		23.0	774.9482	-0.2 mmu 
C27.H14.N7.O9.F2.P3.S2.		32.0	774.9475	+0.5 mmu 
C12.H10.N19.O10.F2.P3.S2.		25.0	774.9480	-0.0 mmu 
C21.H7.N17.O4.F3.P3.S2.		34.0	774.9473	+0.7 mmu 
C24.H15.N7.O10.F3.P3.S2.		28.0	774.9487	-0.7 mmu 
C23.H19.N3.O14.F3.P3.S2.		23.0	774.9473	+0.7 mmu 
C33.H12.N5.O4.F4.P3.S2.		37.0	774.9480	+0.0 mmu 
C18.H8.N17.O5.F4.P3.S2.		30.0	774.9485	-0.5 mmu 
C20.H20.N3.O15.F4.P3.S2.		19.0	774.9485	-0.5 mmu 
C29.H17.N1.O9.F5.P3.S2.		28.0	774.9478	+0.2 mmu 
C14.H13.N13.O10.F5.P3.S2.		21.0	774.9483	-0.3 mmu 
C23.H10.N11.O4.F6.P3.S2.		30.0	774.9476	+0.4 mmu 
C20.H11.N11.O5.F7.P3.S2.		26.0	774.9487	-0.7 mmu 
C19.H15.N7.O9.F7.P3.S2.		21.0	774.9474	+0.6 mmu 
C14.H4.N21.F8.P3.S2.		28.0	774.9485	-0.5 mmu 
C16.H16.N7.O10.F8.P3.S2.		17.0	774.9485	-0.5 mmu 
C25.H13.N5.O4.F9.P3.S2.		26.0	774.9478	+0.2 mmu 
C10.H9.N17.O5.F9.P3.S2.		19.0	774.9483	-0.3 mmu 
C21.H18.N1.O9.F10.P3.S2.		17.0	774.9476	+0.4 mmu 
C16.H7.N15.F11.P3.S2.		24.0	774.9487	-0.7 mmu 
C15.H11.N11.O4.F11.P3.S2.		19.0	774.9474	+0.6 mmu 
C18.H19.N1.O10.F11.P3.S2.		13.0	774.9488	-0.8 mmu 
C12.H12.N11.O5.F12.P3.S2.		15.0	774.9486	-0.6 mmu 
C32.H13.N9.O4.P4.S2.		41.0	774.9482	-0.2 mmu 
C17.H9.N21.O5.P4.S2.		34.0	774.9487	-0.7 mmu 
C16.H13.N17.O9.P4.S2.		29.0	774.9474	+0.6 mmu 
C19.H21.N7.O15.P4.S2.		23.0	774.9488	-0.8 mmu 
C18.H25.N3.O19.P4.S2.		18.0	774.9474	+0.6 mmu 
C28.H18.N5.O9.F1.P4.S2.		32.0	774.9480	-0.0 mmu 
C13.H14.N17.O10.F1.P4.S2.		25.0	774.9485	-0.5 mmu 
C37.H15.N3.O3.F2.P4.S2.		41.0	774.9473	+0.7 mmu 
C22.H11.N15.O4.F2.P4.S2.		34.0	774.9478	+0.2 mmu 
C24.H23.N1.O14.F2.P4.S2.		23.0	774.9478	+0.2 mmu 
C34.H16.N3.O4.F3.P4.S2.		37.0	774.9485	-0.5 mmu 
C18.H16.N11.O9.F3.P4.S2.		25.0	774.9476	+0.4 mmu 
C14.H21.N7.O14.F4.P4.S2.		16.0	774.9474	+0.6 mmu 
C24.H14.N9.O4.F5.P4.S2.		30.0	774.9481	-0.1 mmu 
C20.H19.N5.O9.F6.P4.S2.		21.0	774.9479	+0.1 mmu 
C14.H12.N15.O4.F7.P4.S2.		23.0	774.9477	+0.3 mmu 
C16.H24.N1.O14.F7.P4.S2.		12.0	774.9477	+0.3 mmu 
C26.H17.N3.O4.F8.P4.S2.		26.0	774.9483	-0.3 mmu 
C16.H15.N9.O4.F10.P4.S2.		19.0	774.9479	+0.1 mmu 
C29.H22.N3.O9.P5.S2.		32.0	774.9486	-0.6 mmu 
C38.H19.N1.O3.F1.P5.S2.		41.0	774.9478	+0.2 mmu 
C23.H15.N13.O4.F1.P5.S2.		34.0	774.9483	-0.3 mmu 
C19.H20.N9.O9.F2.P5.S2.		25.0	774.9482	-0.2 mmu 
C28.H17.N7.O3.F3.P5.S2.		34.0	774.9474	+0.6 mmu 
C25.H18.N7.O4.F4.P5.S2.		30.0	774.9486	-0.6 mmu 
C24.H22.N3.O8.F4.P5.S2.		25.0	774.9473	+0.7 mmu 
C21.H23.N3.O9.F5.P5.S2.		21.0	774.9484	-0.4 mmu 
C30.H20.N1.O3.F6.P5.S2.		30.0	774.9477	+0.3 mmu 
C20.H18.N7.O3.F8.P5.S2.		23.0	774.9473	+0.7 mmu 
C17.H19.N7.O4.F9.P5.S2.		19.0	774.9484	-0.4 mmu 
C22.H21.N1.O3.F11.P5.S2.		19.0	774.9475	+0.5 mmu 
C19.H22.N1.O4.F12.P5.S2.		15.0	774.9487	-0.7 mmu 
C23.H23.N7.O8.P6.S2.		29.0	774.9475	+0.5 mmu 
C20.H24.N7.O9.F1.P6.S2.		25.0	774.9487	-0.7 mmu 
C19.H28.N3.O13.F1.P6.S2.		20.0	774.9473	+0.7 mmu 
C29.H21.N5.O3.F2.P6.S2.		34.0	774.9480	+0.0 mmu 
C25.H26.N1.O8.F3.P6.S2.		25.0	774.9478	+0.2 mmu 
C19.H19.N11.O3.F4.P6.S2.		27.0	774.9476	+0.4 mmu 
C21.H22.N5.O3.F7.P6.S2.		23.0	774.9478	+0.2 mmu 
C33.H24.N3.O2.P7.S2.		38.0	774.9473	+0.7 mmu 
C30.H25.N3.O3.F1.P7.S2.		34.0	774.9485	-0.5 mmu 
C22.H26.N3.O3.F6.P7.S2.		23.0	774.9483	-0.3 mmu 
C26.H29.N1.O2.F4.P8.S2.		27.0	774.9477	+0.3 mmu 
C28.H9.N9.O13.S3.		35.0	774.9482	-0.2 mmu 
C13.H5.N21.O14.S3.		28.0	774.9487	-0.7 mmu 
C24.H14.N5.O18.F1.S3.		26.0	774.9480	+0.0 mmu 
C34.H7.N7.O8.F2.S3.		40.0	774.9486	-0.6 mmu 
C33.H11.N3.O12.F2.S3.		35.0	774.9473	+0.7 mmu 
C18.H7.N15.O13.F2.S3.		28.0	774.9478	+0.2 mmu 
C20.H19.N1.O23.F2.S3.		17.0	774.9478	+0.2 mmu 
C28.N17.O3.F3.S3.		42.0	774.9484	-0.4 mmu 
C30.H12.N3.O13.F3.S3.		31.0	774.9484	-0.4 mmu 
C39.H9.N1.O7.F4.S3.		40.0	774.9477	+0.3 mmu 
C24.H5.N13.O8.F4.S3.		33.0	774.9482	-0.2 mmu 
C20.H10.N9.O13.F5.S3.		24.0	774.9480	-0.0 mmu 
C29.H7.N7.O7.F6.S3.		33.0	774.9473	+0.7 mmu 
C14.H3.N19.O8.F6.S3.		26.0	774.9478	+0.2 mmu 
C16.H15.N5.O18.F6.S3.		15.0	774.9478	+0.2 mmu 
C26.H8.N7.O8.F7.S3.		29.0	774.9485	-0.5 mmu 
C22.H13.N3.O13.F8.S3.		20.0	774.9483	-0.3 mmu 
C31.H10.N1.O7.F9.S3.		29.0	774.9476	+0.4 mmu 
C16.H6.N13.O8.F9.S3.		22.0	774.9481	-0.1 mmu 
C28.H11.N1.O8.F10.S3.		25.0	774.9487	-0.7 mmu 
C12.H11.N9.O13.F10.S3.		13.0	774.9479	+0.1 mmu 
C18.H9.N7.O8.F12.S3.		18.0	774.9483	-0.3 mmu 
C38.H10.N5.O7.P1.S3.		44.0	774.9480	+0.0 mmu 
C23.H6.N17.O8.P1.S3.		37.0	774.9485	-0.5 mmu 
C25.H18.N3.O18.P1.S3.		26.0	774.9485	-0.5 mmu 
C34.H15.N1.O12.F1.P1.S3.		35.0	774.9478	+0.2 mmu 
C19.H11.N13.O13.F1.P1.S3.		28.0	774.9483	-0.3 mmu 
C28.H8.N11.O7.F2.P1.S3.		37.0	774.9476	+0.4 mmu 
C13.H4.N23.O8.F2.P1.S3.		30.0	774.9481	-0.1 mmu 
C15.H16.N9.O18.F2.P1.S3.		19.0	774.9481	-0.1 mmu 
C25.H9.N11.O8.F3.P1.S3.		33.0	774.9487	-0.7 mmu 
C24.H13.N7.O12.F3.P1.S3.		28.0	774.9474	+0.6 mmu 
C21.H14.N7.O13.F4.P1.S3.		24.0	774.9485	-0.5 mmu 
C30.H11.N5.O7.F5.P1.S3.		33.0	774.9478	+0.2 mmu 
C15.H7.N17.O8.F5.P1.S3.		26.0	774.9483	-0.3 mmu 
C17.H19.N3.O18.F5.P1.S3.		15.0	774.9484	-0.4 mmu 
C26.H16.N1.O12.F6.P1.S3.		24.0	774.9476	+0.4 mmu 
C11.H12.N13.O13.F6.P1.S3.		17.0	774.9481	-0.1 mmu 
C36.H9.N3.O2.F7.P1.S3.		38.0	774.9483	-0.3 mmu 
C20.H9.N11.O7.F7.P1.S3.		26.0	774.9474	+0.6 mmu 
C17.H10.N11.O8.F8.P1.S3.		22.0	774.9486	-0.6 mmu 
C16.H14.N7.O12.F8.P1.S3.		17.0	774.9472	+0.8 mmu 
C26.H7.N9.O2.F9.P1.S3.		31.0	774.9479	+0.1 mmu 
C11.H3.N21.O3.F9.P1.S3.		24.0	774.9484	-0.4 mmu 
C13.H15.N7.O13.F9.P1.S3.		13.0	774.9484	-0.4 mmu 
C22.H12.N5.O7.F10.P1.S3.		22.0	774.9477	+0.3 mmu 
C16.H5.N15.O2.F11.P1.S3.		24.0	774.9475	+0.5 mmu 
C18.H17.N1.O12.F11.P1.S3.		13.0	774.9475	+0.5 mmu 
C28.H10.N3.O2.F12.P1.S3.		27.0	774.9481	-0.1 mmu 
C13.H6.N15.O3.F12.P1.S3.		20.0	774.9486	-0.6 mmu 
C12.H10.N11.O7.F12.P1.S3.		15.0	774.9473	+0.7 mmu 
C15.H18.N1.O13.F12.P1.S3.		9.0	774.9486	-0.6 mmu 
C48.H11.N1.O1.P2.S3.		53.0	774.9478	+0.2 mmu 
C33.H7.N13.O2.P2.S3.		46.0	774.9483	-0.3 mmu 
C17.H7.N21.O7.P2.S3.		34.0	774.9475	+0.5 mmu 
C19.H19.N7.O17.P2.S3.		23.0	774.9475	+0.5 mmu 
C29.H12.N9.O7.F1.P2.S3.		37.0	774.9481	-0.1 mmu 
C14.H8.N21.O8.F1.P2.S3.		30.0	774.9486	-0.6 mmu 
C13.H12.N17.O12.F1.P2.S3.		25.0	774.9473	+0.7 mmu 
C16.H20.N7.O18.F1.P2.S3.		19.0	774.9486	-0.6 mmu 
C38.H9.N7.O1.F2.P2.S3.		46.0	774.9474	+0.6 mmu 
C23.H5.N19.O2.F2.P2.S3.		39.0	774.9479	+0.1 mmu 
C25.H17.N5.O12.F2.P2.S3.		28.0	774.9479	+0.1 mmu 
C35.H10.N7.O2.F3.P2.S3.		42.0	774.9485	-0.5 mmu 
C19.H10.N15.O7.F3.P2.S3.		30.0	774.9477	+0.3 mmu 
C21.H22.N1.O17.F3.P2.S3.		19.0	774.9477	+0.3 mmu 
C13.H3.N25.O2.F4.P2.S3.		32.0	774.9475	+0.5 mmu 
C31.H15.N3.O7.F4.P2.S3.		33.0	774.9483	-0.3 mmu 
C15.H15.N11.O12.F4.P2.S3.		21.0	774.9475	+0.5 mmu 
C40.H12.N1.O1.F5.P2.S3.		42.0	774.9476	+0.4 mmu 
C25.H8.N13.O2.F5.P2.S3.		35.0	774.9481	-0.1 mmu 
C12.H16.N11.O13.F5.P2.S3.		17.0	774.9487	-0.7 mmu 
C21.H13.N9.O7.F6.P2.S3.		26.0	774.9479	+0.1 mmu 
C30.H10.N7.O1.F7.P2.S3.		35.0	774.9472	+0.8 mmu 
C15.H6.N19.O2.F7.P2.S3.		28.0	774.9477	+0.3 mmu 
C17.H18.N5.O12.F7.P2.S3.		17.0	774.9478	+0.2 mmu 
C27.H11.N7.O2.F8.P2.S3.		31.0	774.9484	-0.4 mmu 
C11.H11.N15.O7.F8.P2.S3.		19.0	774.9475	+0.5 mmu 
C23.H16.N3.O7.F9.P2.S3.		22.0	774.9482	-0.2 mmu 
C8.H12.N15.O8.F9.P2.S3.		15.0	774.9487	-0.7 mmu 
C32.H13.N1.O1.F10.P2.S3.		31.0	774.9475	+0.5 mmu 
C17.H9.N13.O2.F10.P2.S3.		24.0	774.9480	+0.0 mmu 
C29.H14.N1.O2.F11.P2.S3.		27.0	774.9486	-0.6 mmu 
C13.H14.N9.O7.F11.P2.S3.		15.0	774.9478	+0.2 mmu 
C27.H8.N17.O1.P3.S3.		43.0	774.9473	+0.7 mmu 
C30.H16.N7.O7.P3.S3.		37.0	774.9486	-0.6 mmu 
C29.H20.N3.O11.P3.S3.		32.0	774.9473	+0.7 mmu 
C14.H16.N15.O12.P3.S3.		25.0	774.9478	+0.2 mmu 
C39.H13.N5.O1.F1.P3.S3.		46.0	774.9479	+0.1 mmu 
C24.H9.N17.O2.F1.P3.S3.		39.0	774.9484	-0.4 mmu 
C26.H21.N3.O12.F1.P3.S3.		28.0	774.9484	-0.4 mmu 
C35.H18.N1.O6.F2.P3.S3.		37.0	774.9477	+0.3 mmu 
C20.H14.N13.O7.F2.P3.S3.		30.0	774.9482	-0.2 mmu 
C29.H11.N11.O1.F3.P3.S3.		39.0	774.9475	+0.5 mmu 
C14.H7.N23.O2.F3.P3.S3.		32.0	774.9480	-0.0 mmu 
C16.H19.N9.O12.F3.P3.S3.		21.0	774.9480	-0.0 mmu 
C26.H12.N11.O2.F4.P3.S3.		35.0	774.9487	-0.7 mmu 
C25.H16.N7.O6.F4.P3.S3.		30.0	774.9473	+0.7 mmu 
C10.H12.N19.O7.F4.P3.S3.		23.0	774.9478	+0.2 mmu 
C22.H17.N7.O7.F5.P3.S3.		26.0	774.9485	-0.5 mmu 
C31.H14.N5.O1.F6.P3.S3.		35.0	774.9478	+0.2 mmu 
C16.H10.N17.O2.F6.P3.S3.		28.0	774.9483	-0.3 mmu 
C18.H22.N3.O12.F6.P3.S3.		17.0	774.9483	-0.3 mmu 
C27.H19.N1.O6.F7.P3.S3.		26.0	774.9476	+0.4 mmu 
C12.H15.N13.O7.F7.P3.S3.		19.0	774.9481	-0.1 mmu 
C21.H12.N11.O1.F8.P3.S3.		28.0	774.9474	+0.6 mmu 
C24.H20.N1.O7.F8.P3.S3.		22.0	774.9487	-0.7 mmu 
C18.H13.N11.O2.F9.P3.S3.		24.0	774.9485	-0.5 mmu 
C14.H18.N7.O7.F10.P3.S3.		15.0	774.9483	-0.3 mmu 
C23.H15.N5.O1.F11.P3.S3.		24.0	774.9476	+0.4 mmu 
C10.H23.N3.O12.F11.P3.S3.		6.0	774.9481	-0.1 mmu 
C20.H16.N5.O2.F12.P3.S3.		20.0	774.9487	-0.7 mmu 
C19.H20.N1.O6.F12.P3.S3.		15.0	774.9474	+0.6 mmu 
C40.H17.N3.O1.P4.S3.		46.0	774.9484	-0.4 mmu 
C24.H17.N11.O6.P4.S3.		34.0	774.9476	+0.4 mmu 
C18.H10.N21.O1.F1.P4.S3.		36.0	774.9474	+0.6 mmu 
C21.H18.N11.O7.F1.P4.S3.		30.0	774.9487	-0.7 mmu 
C20.H22.N7.O11.F1.P4.S3.		25.0	774.9474	+0.6 mmu 
C30.H15.N9.O1.F2.P4.S3.		39.0	774.9480	-0.0 mmu 
C15.H11.N21.O2.F2.P4.S3.		32.0	774.9485	-0.5 mmu 
C17.H23.N7.O12.F2.P4.S3.		21.0	774.9485	-0.5 mmu 
C26.H20.N5.O6.F3.P4.S3.		30.0	774.9478	+0.2 mmu 
C20.H13.N15.O1.F4.P4.S3.		32.0	774.9476	+0.4 mmu 
C22.H25.N1.O11.F4.P4.S3.		21.0	774.9476	+0.4 mmu 
C32.H18.N3.O1.F5.P4.S3.		35.0	774.9483	-0.3 mmu 
C17.H14.N15.O2.F5.P4.S3.		28.0	774.9488	-0.8 mmu 
C16.H18.N11.O6.F5.P4.S3.		23.0	774.9474	+0.6 mmu 
C19.H26.N1.O12.F5.P4.S3.		17.0	774.9488	-0.8 mmu 
C13.H19.N11.O7.F6.P4.S3.		19.0	774.9486	-0.6 mmu 
C22.H16.N9.O1.F7.P4.S3.		28.0	774.9479	+0.1 mmu 
C18.H21.N5.O6.F8.P4.S3.		19.0	774.9477	+0.3 mmu 
C14.H26.N1.O11.F9.P4.S3.		10.0	774.9475	+0.5 mmu 
C24.H19.N3.O1.F10.P4.S3.		24.0	774.9481	-0.1 mmu 
C14.H17.N9.O1.F12.P4.S3.		17.0	774.9477	+0.3 mmu 
C34.H18.N7.P5.S3.		43.0	774.9474	+0.6 mmu 
C19.H14.N19.O1.P5.S3.		36.0	774.9479	+0.1 mmu 
C21.H26.N5.O11.P5.S3.		25.0	774.9479	+0.1 mmu 
C31.H19.N7.O1.F1.P5.S3.		39.0	774.9485	-0.5 mmu 
C17.H31.N1.O16.F1.P5.S3.		16.0	774.9477	+0.3 mmu 
C27.H24.N3.O6.F2.P5.S3.		30.0	774.9483	-0.3 mmu 
C36.H21.N1.F3.P5.S3.		39.0	774.9476	+0.4 mmu 
C21.H17.N13.O1.F3.P5.S3.		32.0	774.9481	-0.1 mmu 
C33.H22.N1.O1.F4.P5.S3.		35.0	774.9488	-0.8 mmu 
C17.H22.N9.O6.F4.P5.S3.		23.0	774.9479	+0.1 mmu 
C26.H19.N7.F5.P5.S3.		32.0	774.9472	+0.8 mmu 
C23.H20.N7.O1.F6.P5.S3.		28.0	774.9484	-0.4 mmu 
C19.H25.N3.O6.F7.P5.S3.		19.0	774.9482	-0.2 mmu 
C28.H22.N1.F8.P5.S3.		28.0	774.9475	+0.5 mmu 
C25.H23.N1.O1.F9.P5.S3.		24.0	774.9486	-0.6 mmu 
C31.H27.N1.O5.P6.S3.		34.0	774.9477	+0.3 mmu 
C25.H20.N11.F1.P6.S3.		36.0	774.9475	+0.5 mmu 
C22.H21.N11.O1.F2.P6.S3.		32.0	774.9486	-0.6 mmu 
C21.H25.N7.O5.F2.P6.S3.		27.0	774.9473	+0.7 mmu 
C27.H23.N5.F4.P6.S3.		32.0	774.9477	+0.3 mmu 
C23.H28.N1.O5.F5.P6.S3.		23.0	774.9475	+0.5 mmu 
C20.H29.N1.O6.F6.P6.S3.		19.0	774.9487	-0.7 mmu 
C19.H24.N5.F9.P6.S3.		21.0	774.9476	+0.4 mmu 
C26.H24.N9.P7.S3.		36.0	774.9480	-0.0 mmu 
C22.H29.N5.O5.F1.P7.S3.		27.0	774.9478	+0.2 mmu 
C28.H27.N3.F3.P7.S3.		32.0	774.9483	-0.3 mmu 
C29.H31.N1.F2.P8.S3.		32.0	774.9488	-0.8 mmu 
C36.H13.N3.O10.S4.		40.0	774.9484	-0.4 mmu 
C20.H13.N11.O15.S4.		28.0	774.9475	+0.5 mmu 
C45.H10.N1.O4.F1.S4.		49.0	774.9477	+0.3 mmu 
C30.H6.N13.O5.F1.S4.		42.0	774.9482	-0.2 mmu 
C14.H6.N21.O10.F1.S4.		30.0	774.9473	+0.7 mmu 
C17.H14.N11.O16.F1.S4.		24.0	774.9487	-0.7 mmu 
C26.H11.N9.O10.F2.S4.		33.0	774.9480	+0.0 mmu 
C11.H7.N21.O11.F2.S4.		26.0	774.9485	-0.5 mmu 
C35.H8.N7.O4.F3.S4.		42.0	774.9473	+0.7 mmu 
C20.H4.N19.O5.F3.S4.		35.0	774.9478	+0.2 mmu 
C22.H16.N5.O15.F3.S4.		24.0	774.9478	+0.2 mmu 
C32.H9.N7.O5.F4.S4.		38.0	774.9484	-0.4 mmu 
C16.H9.N15.O10.F4.S4.		26.0	774.9476	+0.4 mmu 
C18.H21.N1.O20.F4.S4.		15.0	774.9476	+0.4 mmu 
C28.H14.N3.O10.F5.S4.		29.0	774.9482	-0.2 mmu 
C13.H10.N15.O11.F5.S4.		22.0	774.9487	-0.7 mmu 
C37.H11.N1.O4.F6.S4.		38.0	774.9475	+0.5 mmu 
C22.H7.N13.O5.F6.S4.		31.0	774.9480	-0.0 mmu 
C16.N23.F7.S4.		33.0	774.9478	+0.2 mmu 
C34.H12.N1.O5.F7.S4.		34.0	774.9487	-0.7 mmu 
C18.H12.N9.O10.F7.S4.		22.0	774.9478	+0.2 mmu 
C12.H5.N19.O5.F8.S4.		24.0	774.9476	+0.4 mmu 
C14.H17.N5.O15.F8.S4.		13.0	774.9476	+0.4 mmu 
C24.H10.N7.O5.F9.S4.		27.0	774.9483	-0.3 mmu 
C20.H15.N3.O10.F10.S4.		18.0	774.9481	-0.1 mmu 
C30.H8.N5.F11.S4.		32.0	774.9487	-0.7 mmu 
C29.H12.N1.O4.F11.S4.		27.0	774.9474	+0.6 mmu 
C14.H8.N13.O5.F11.S4.		20.0	774.9479	+0.1 mmu 
C26.H13.N1.O5.F12.S4.		23.0	774.9485	-0.5 mmu 
C10.H13.N9.O10.F12.S4.		11.0	774.9477	+0.3 mmu 
C31.H10.N11.O5.P1.S4.		42.0	774.9487	-0.7 mmu 
C30.H14.N7.O9.P1.S4.		37.0	774.9473	+0.7 mmu 
C15.H10.N19.O10.P1.S4.		30.0	774.9478	+0.2 mmu 
C17.H22.N5.O20.P1.S4.		19.0	774.9479	+0.1 mmu 
C27.H15.N7.O10.F1.P1.S4.		33.0	774.9485	-0.5 mmu 
C36.H12.N5.O4.F2.P1.S4.		42.0	774.9478	+0.2 mmu 
C21.H8.N17.O5.F2.P1.S4.		35.0	774.9483	-0.3 mmu 
C23.H20.N3.O15.F2.P1.S4.		24.0	774.9483	-0.3 mmu 
C32.H17.N1.O9.F3.P1.S4.		33.0	774.9476	+0.4 mmu 
C17.H13.N13.O10.F3.P1.S4.		26.0	774.9481	-0.1 mmu 
C27.H6.N15.F4.P1.S4.		40.0	774.9487	-0.7 mmu 
C26.H10.N11.O4.F4.P1.S4.		35.0	774.9474	+0.6 mmu 
C29.H18.N1.O10.F4.P1.S4.		29.0	774.9487	-0.7 mmu 
C13.H18.N9.O15.F4.P1.S4.		17.0	774.9479	+0.1 mmu 
C23.H11.N11.O5.F5.P1.S4.		31.0	774.9485	-0.5 mmu 
C17.H4.N21.F6.P1.S4.		33.0	774.9483	-0.3 mmu 
C19.H16.N7.O10.F6.P1.S4.		22.0	774.9483	-0.3 mmu 
C28.H13.N5.O4.F7.P1.S4.		31.0	774.9476	+0.4 mmu 
C13.H9.N17.O5.F7.P1.S4.		24.0	774.9481	-0.1 mmu 
C15.H21.N3.O15.F7.P1.S4.		13.0	774.9481	-0.1 mmu 
C25.H14.N5.O5.F8.P1.S4.		27.0	774.9488	-0.8 mmu 
C24.H18.N1.O9.F8.P1.S4.		22.0	774.9474	+0.6 mmu 
C9.H14.N13.O10.F8.P1.S4.		15.0	774.9479	+0.1 mmu 
C19.H7.N15.F9.P1.S4.		29.0	774.9486	-0.6 mmu 
C21.H19.N1.O10.F9.P1.S4.		18.0	774.9486	-0.6 mmu 
C15.H12.N11.O5.F10.P1.S4.		20.0	774.9484	-0.4 mmu 
C11.H17.N7.O10.F11.P1.S4.		11.0	774.9482	-0.2 mmu 
C20.H14.N5.O4.F12.P1.S4.		20.0	774.9475	+0.5 mmu 
C25.H11.N15.O4.P2.S4.		39.0	774.9476	+0.4 mmu 
C27.H23.N1.O14.P2.S4.		28.0	774.9477	+0.3 mmu 
C37.H16.N3.O4.F1.P2.S4.		42.0	774.9483	-0.3 mmu 
C21.H16.N11.O9.F1.P2.S4.		30.0	774.9475	+0.5 mmu 
C16.H5.N25.F2.P2.S4.		37.0	774.9486	-0.6 mmu 
C15.H9.N21.O4.F2.P2.S4.		32.0	774.9473	+0.7 mmu 
C18.H17.N11.O10.F2.P2.S4.		26.0	774.9486	-0.6 mmu 
C17.H21.N7.O14.F2.P2.S4.		21.0	774.9473	+0.7 mmu 
C27.H14.N9.O4.F3.P2.S4.		35.0	774.9479	+0.1 mmu 
C12.H10.N21.O5.F3.P2.S4.		28.0	774.9484	-0.4 mmu 
C14.H22.N7.O15.F3.P2.S4.		17.0	774.9484	-0.4 mmu 
C23.H19.N5.O9.F4.P2.S4.		26.0	774.9477	+0.3 mmu 
C17.H12.N15.O4.F5.P2.S4.		28.0	774.9475	+0.5 mmu 
C19.H24.N1.O14.F5.P2.S4.		17.0	774.9475	+0.5 mmu 
C29.H17.N3.O4.F6.P2.S4.		31.0	774.9481	-0.1 mmu 
C14.H13.N15.O5.F6.P2.S4.		24.0	774.9486	-0.6 mmu 
C13.H17.N11.O9.F6.P2.S4.		19.0	774.9473	+0.7 mmu 
C16.H25.N1.O15.F6.P2.S4.		13.0	774.9486	-0.6 mmu 
C10.H18.N11.O10.F7.P2.S4.		15.0	774.9484	-0.4 mmu 
C19.H15.N9.O4.F8.P2.S4.		24.0	774.9477	+0.3 mmu 
C15.H20.N5.O9.F9.P2.S4.		15.0	774.9475	+0.5 mmu 
C10.H9.N19.F10.P2.S4.		22.0	774.9487	-0.7 mmu 
C9.H13.N15.O4.F10.P2.S4.		17.0	774.9473	+0.7 mmu 
C12.H21.N5.O10.F10.P2.S4.		11.0	774.9487	-0.7 mmu 
C21.H18.N3.O4.F11.P2.S4.		20.0	774.9480	+0.0 mmu 
C22.H20.N9.O9.P3.S4.		30.0	774.9480	+0.0 mmu 
C31.H17.N7.O3.F1.P3.S4.		39.0	774.9473	+0.7 mmu 
C16.H13.N19.O4.F1.P3.S4.		32.0	774.9478	+0.2 mmu 
C18.H25.N5.O14.F1.P3.S4.		21.0	774.9478	+0.2 mmu 
C28.H18.N7.O4.F2.P3.S4.		35.0	774.9484	-0.4 mmu 
C12.H18.N15.O9.F2.P3.S4.		23.0	774.9476	+0.4 mmu 
C24.H23.N3.O9.F3.P3.S4.		26.0	774.9482	-0.2 mmu 
C33.H20.N1.O3.F4.P3.S4.		35.0	774.9475	+0.5 mmu 
C18.H16.N13.O4.F4.P3.S4.		28.0	774.9480	-0.0 mmu 
C30.H21.N1.O4.F5.P3.S4.		31.0	774.9486	-0.6 mmu 
C14.H21.N9.O9.F5.P3.S4.		19.0	774.9478	+0.2 mmu 
C20.H19.N7.O4.F7.P3.S4.		24.0	774.9482	-0.2 mmu 
C16.H24.N3.O9.F8.P3.S4.		15.0	774.9480	-0.0 mmu 
C25.H21.N1.O3.F9.P3.S4.		24.0	774.9473	+0.7 mmu 
C10.H17.N13.O4.F9.P3.S4.		17.0	774.9478	+0.2 mmu 
C22.H22.N1.O4.F10.P3.S4.		20.0	774.9485	-0.5 mmu 
C12.H20.N7.O4.F12.P3.S4.		13.0	774.9481	-0.1 mmu 
C19.H29.N3.O14.P4.S4.		21.0	774.9483	-0.3 mmu 
C28.H26.N1.O8.F1.P4.S4.		30.0	774.9476	+0.4 mmu 
C25.H27.N1.O9.F2.P4.S4.		26.0	774.9487	-0.7 mmu 
C20.H27.N1.O8.F6.P4.S4.		19.0	774.9474	+0.6 mmu 
C17.H28.N1.O9.F7.P4.S4.		15.0	774.9486	-0.6 mmu 
C25.H26.N3.O3.F4.P5.S4.		28.0	774.9481	-0.1 mmu 
C17.H27.N3.O3.F9.P5.S4.		17.0	774.9480	+0.0 mmu 
C20.H32.N3.O8.F1.P6.S4.		23.0	774.9482	-0.2 mmu 
C29.H29.N1.O2.F2.P6.S4.		32.0	774.9475	+0.5 mmu 
C26.H30.N1.O3.F3.P6.S4.		28.0	774.9486	-0.6 mmu 
C21.H30.N1.O2.F7.P6.S4.		21.0	774.9473	+0.7 mmu 
C28.H17.N5.O12.S5.		33.0	774.9477	+0.3 mmu 
C13.H13.N17.O13.S5.		26.0	774.9482	-0.2 mmu 
C38.H10.N7.O2.F1.S5.		47.0	774.9484	-0.4 mmu 
C22.H10.N15.O7.F1.S5.		35.0	774.9475	+0.5 mmu 
C24.H22.N1.O17.F1.S5.		24.0	774.9475	+0.5 mmu 
C34.H15.N3.O7.F2.S5.		38.0	774.9482	-0.2 mmu 
C19.H11.N15.O8.F2.S5.		31.0	774.9487	-0.7 mmu 
C18.H15.N11.O12.F2.S5.		26.0	774.9473	+0.7 mmu 
C21.H23.N1.O18.F2.S5.		20.0	774.9487	-0.7 mmu 
C43.H12.N1.O1.F3.S5.		47.0	774.9475	+0.5 mmu 
C28.H8.N13.O2.F3.S5.		40.0	774.9480	+0.0 mmu 
C13.H4.N25.O3.F3.S5.		33.0	774.9485	-0.5 mmu 
C15.H16.N11.O13.F3.S5.		22.0	774.9485	-0.5 mmu 
C40.H13.N1.O2.F4.S5.		43.0	774.9486	-0.6 mmu 
C24.H13.N9.O7.F4.S5.		31.0	774.9478	+0.2 mmu 
C18.H6.N19.O2.F5.S5.		33.0	774.9476	+0.4 mmu 
C20.H18.N5.O12.F5.S5.		22.0	774.9476	+0.4 mmu 
C30.H11.N7.O2.F6.S5.		36.0	774.9482	-0.2 mmu 
C15.H7.N19.O3.F6.S5.		29.0	774.9487	-0.7 mmu 
C14.H11.N15.O7.F6.S5.		24.0	774.9474	+0.6 mmu 
C17.H19.N5.O13.F6.S5.		18.0	774.9487	-0.7 mmu 
C16.H23.N1.O17.F6.S5.		13.0	774.9474	+0.6 mmu 
C26.H16.N3.O7.F7.S5.		27.0	774.9480	-0.0 mmu 
C11.H12.N15.O8.F7.S5.		20.0	774.9485	-0.5 mmu 
C35.H13.N1.O1.F8.S5.		36.0	774.9473	+0.7 mmu 
C20.H9.N13.O2.F8.S5.		29.0	774.9478	+0.2 mmu 
C32.H14.N1.O2.F9.S5.		32.0	774.9484	-0.4 mmu 
C16.H14.N9.O7.F9.S5.		20.0	774.9476	+0.4 mmu 
C10.H7.N19.O2.F10.S5.		22.0	774.9474	+0.6 mmu 
C13.H15.N9.O8.F10.S5.		16.0	774.9487	-0.7 mmu 
C12.H19.N5.O12.F10.S5.		11.0	774.9474	+0.6 mmu 
C22.H12.N7.O2.F11.S5.		25.0	774.9480	-0.0 mmu 
C18.H17.N3.O7.F12.S5.		16.0	774.9478	+0.2 mmu 
C38.H18.N1.O6.P1.S5.		42.0	774.9475	+0.5 mmu 
C23.H14.N13.O7.P1.S5.		35.0	774.9480	-0.0 mmu 
C32.H11.N11.O1.F1.P1.S5.		44.0	774.9473	+0.7 mmu 
C17.H7.N23.O2.F1.P1.S5.		37.0	774.9478	+0.2 mmu 
C35.H19.N1.O7.F1.P1.S5.		38.0	774.9487	-0.7 mmu 
C19.H19.N9.O12.F1.P1.S5.		26.0	774.9478	+0.2 mmu 
C29.H12.N11.O2.F2.P1.S5.		40.0	774.9485	-0.5 mmu 
C13.H12.N19.O7.F2.P1.S5.		28.0	774.9476	+0.4 mmu 
C15.H24.N5.O17.F2.P1.S5.		17.0	774.9476	+0.4 mmu 
C25.H17.N7.O7.F3.P1.S5.		31.0	774.9483	-0.3 mmu 
C10.H13.N19.O8.F3.P1.S5.		24.0	774.9488	-0.8 mmu 
C34.H14.N5.O1.F4.P1.S5.		40.0	774.9476	+0.4 mmu 
C19.H10.N17.O2.F4.P1.S5.		33.0	774.9481	-0.1 mmu 
C21.H22.N3.O12.F4.P1.S5.		22.0	774.9481	-0.1 mmu 
C31.H15.N5.O2.F5.P1.S5.		36.0	774.9487	-0.7 mmu 
C30.H19.N1.O6.F5.P1.S5.		31.0	774.9474	+0.6 mmu 
C15.H15.N13.O7.F5.P1.S5.		24.0	774.9479	+0.1 mmu 
C27.H20.N1.O7.F6.P1.S5.		27.0	774.9485	-0.5 mmu 
C11.H20.N9.O12.F6.P1.S5.		15.0	774.9477	+0.3 mmu 
C21.H13.N11.O2.F7.P1.S5.		29.0	774.9483	-0.3 mmu 
C17.H18.N7.O7.F8.P1.S5.		20.0	774.9481	-0.1 mmu 
C26.H15.N5.O1.F9.P1.S5.		29.0	774.9474	+0.6 mmu 
C11.H11.N17.O2.F9.P1.S5.		22.0	774.9479	+0.1 mmu 
C13.H23.N3.O12.F9.P1.S5.		11.0	774.9479	+0.1 mmu 
C23.H16.N5.O2.F10.P1.S5.		25.0	774.9485	-0.5 mmu 
C19.H21.N1.O7.F11.P1.S5.		16.0	774.9484	-0.4 mmu 
C13.H14.N11.O2.F12.P1.S5.		18.0	774.9481	-0.1 mmu 
C33.H15.N9.O1.P2.S5.		44.0	774.9478	+0.2 mmu 
C18.H11.N21.O2.P2.S5.		37.0	774.9483	-0.3 mmu 
C20.H23.N7.O12.P2.S5.		26.0	774.9483	-0.3 mmu 
C29.H20.N5.O6.F1.P2.S5.		35.0	774.9476	+0.4 mmu 
C14.H16.N17.O7.F1.P2.S5.		28.0	774.9481	-0.1 mmu 
C16.H28.N3.O17.F1.P2.S5.		17.0	774.9482	-0.2 mmu 
C23.H13.N15.O1.F2.P2.S5.		37.0	774.9474	+0.6 mmu 
C25.H25.N1.O11.F2.P2.S5.		26.0	774.9474	+0.6 mmu 
C10.H21.N13.O12.F2.P2.S5.		19.0	774.9479	+0.1 mmu 
C35.H18.N3.O1.F3.P2.S5.		40.0	774.9481	-0.1 mmu 
C20.H14.N15.O2.F3.P2.S5.		33.0	774.9486	-0.6 mmu 
C19.H18.N11.O6.F3.P2.S5.		28.0	774.9472	+0.8 mmu 
C22.H26.N1.O12.F3.P2.S5.		22.0	774.9486	-0.6 mmu 
C16.H19.N11.O7.F4.P2.S5.		24.0	774.9484	-0.4 mmu 
C25.H16.N9.O1.F5.P2.S5.		33.0	774.9477	+0.3 mmu 
C12.H24.N7.O12.F5.P2.S5.		15.0	774.9482	-0.2 mmu 
C21.H21.N5.O6.F6.P2.S5.		24.0	774.9475	+0.5 mmu 
C15.H14.N15.O1.F7.P2.S5.		26.0	774.9473	+0.7 mmu 
C18.H22.N5.O7.F7.P2.S5.		20.0	774.9486	-0.6 mmu 
C17.H26.N1.O11.F7.P2.S5.		15.0	774.9473	+0.7 mmu 
C27.H19.N3.O1.F8.P2.S5.		29.0	774.9479	+0.1 mmu 
C12.H15.N15.O2.F8.P2.S5.		22.0	774.9484	-0.4 mmu 
C14.H27.N1.O12.F8.P2.S5.		11.0	774.9484	-0.4 mmu 
C8.H20.N11.O7.F9.P2.S5.		13.0	774.9482	-0.2 mmu 
C17.H17.N9.O1.F10.P2.S5.		22.0	774.9475	+0.5 mmu 
C14.H18.N9.O2.F11.P2.S5.		18.0	774.9487	-0.7 mmu 
C13.H22.N5.O6.F11.P2.S5.		13.0	774.9473	+0.7 mmu 
C10.H23.N5.O7.F12.P2.S5.		9.0	774.9485	-0.5 mmu 
C30.H24.N3.O6.P3.S5.		35.0	774.9481	-0.1 mmu 
C15.H20.N15.O7.P3.S5.		28.0	774.9487	-0.7 mmu 
C14.H24.N11.O11.P3.S5.		23.0	774.9473	+0.7 mmu 
C17.H32.N1.O17.P3.S5.		17.0	774.9487	-0.7 mmu 
C39.H21.N1.F1.P3.S5.		44.0	774.9474	+0.6 mmu 
C24.H17.N13.O1.F1.P3.S5.		37.0	774.9479	+0.1 mmu 
C11.H25.N11.O12.F1.P3.S5.		19.0	774.9485	-0.5 mmu 
C36.H22.N1.O1.F2.P3.S5.		40.0	774.9486	-0.6 mmu 
C20.H22.N9.O6.F2.P3.S5.		28.0	774.9477	+0.3 mmu 
C14.H15.N19.O1.F3.P3.S5.		30.0	774.9475	+0.5 mmu 
C16.H27.N5.O11.F3.P3.S5.		19.0	774.9476	+0.4 mmu 
C26.H20.N7.O1.F4.P3.S5.		33.0	774.9482	-0.2 mmu 
C11.H16.N19.O2.F4.P3.S5.		26.0	774.9487	-0.7 mmu 
C10.H20.N15.O6.F4.P3.S5.		21.0	774.9473	+0.7 mmu 
C13.H28.N5.O12.F4.P3.S5.		15.0	774.9487	-0.7 mmu 
C22.H25.N3.O6.F5.P3.S5.		24.0	774.9480	+0.0 mmu 
C31.H22.N1.F6.P3.S5.		33.0	774.9473	+0.7 mmu 
C16.H18.N13.O1.F6.P3.S5.		26.0	774.9478	+0.2 mmu 
C28.H23.N1.O1.F7.P3.S5.		29.0	774.9484	-0.4 mmu 
C12.H23.N9.O6.F7.P3.S5.		17.0	774.9476	+0.4 mmu 
C18.H21.N7.O1.F9.P3.S5.		22.0	774.9480	-0.0 mmu 
C14.H26.N3.O6.F10.P3.S5.		13.0	774.9478	+0.2 mmu 
C20.H24.N1.O1.F12.P3.S5.		18.0	774.9483	-0.3 mmu 
C17.H31.N3.O11.F2.P4.S5.		19.0	774.9481	-0.1 mmu 
C26.H28.N1.O5.F3.P4.S5.		28.0	774.9474	+0.6 mmu 
C23.H29.N1.O6.F4.P4.S5.		24.0	774.9485	-0.5 mmu 
C15.H30.N1.O6.F9.P4.S5.		13.0	774.9483	-0.3 mmu 
C21.H34.N1.O10.P5.S5.		23.0	774.9474	+0.6 mmu 
C31.H27.N3.F1.P5.S5.		37.0	774.9481	-0.1 mmu 
C18.H35.N1.O11.F1.P5.S5.		19.0	774.9486	-0.6 mmu 
C23.H28.N3.F6.P5.S5.		26.0	774.9479	+0.1 mmu 
C32.H31.N1.P6.S5.		37.0	774.9486	-0.6 mmu 
C24.H32.N1.F5.P6.S5.		26.0	774.9484	-0.4 mmu 
C22.H37.N1.O4.F1.P7.S5.		25.0	774.9473	+0.7 mmu 
C19.H5.N25.S6.		42.0	774.9484	-0.4 mmu 
C21.H17.N11.O10.S6.		31.0	774.9484	-0.4 mmu 
C30.H14.N9.O4.F1.S6.		40.0	774.9477	+0.3 mmu 
C15.H10.N21.O5.F1.S6.		33.0	774.9482	-0.2 mmu 
C17.H22.N7.O15.F1.S6.		22.0	774.9482	-0.2 mmu 
C26.H19.N5.O9.F2.S6.		31.0	774.9475	+0.5 mmu 
C11.H15.N17.O10.F2.S6.		24.0	774.9480	-0.0 mmu 
C21.H8.N19.F3.S6.		38.0	774.9486	-0.6 mmu 
C20.H12.N15.O4.F3.S6.		33.0	774.9473	+0.7 mmu 
C23.H20.N5.O10.F3.S6.		27.0	774.9487	-0.7 mmu 
C22.H24.N1.O14.F3.S6.		22.0	774.9473	+0.7 mmu 
C32.H17.N3.O4.F4.S6.		36.0	774.9479	+0.1 mmu 
C17.H13.N15.O5.F4.S6.		29.0	774.9484	-0.4 mmu 
C19.H25.N1.O15.F4.S6.		18.0	774.9485	-0.5 mmu 
C13.H18.N11.O10.F5.S6.		20.0	774.9483	-0.3 mmu 
C22.H15.N9.O4.F6.S6.		29.0	774.9475	+0.5 mmu 
C19.H16.N9.O5.F7.S6.		25.0	774.9487	-0.7 mmu 
C18.H20.N5.O9.F7.S6.		20.0	774.9473	+0.7 mmu 
C13.H9.N19.F8.S6.		27.0	774.9485	-0.5 mmu 
C15.H21.N5.O10.F8.S6.		16.0	774.9485	-0.5 mmu 
C24.H18.N3.O4.F9.S6.		25.0	774.9478	+0.2 mmu 
C15.H12.N13.F11.S6.		23.0	774.9487	-0.7 mmu 
C14.H16.N9.O4.F11.S6.		18.0	774.9474	+0.6 mmu 
C11.H17.N9.O5.F12.S6.		14.0	774.9485	-0.5 mmu 
C31.H18.N7.O4.P1.S6.		40.0	774.9482	-0.2 mmu 
C16.H14.N19.O5.P1.S6.		33.0	774.9487	-0.7 mmu 
C15.H18.N15.O9.P1.S6.		28.0	774.9474	+0.6 mmu 
C18.H26.N5.O15.P1.S6.		22.0	774.9487	-0.7 mmu 
C17.H30.N1.O19.P1.S6.		17.0	774.9474	+0.6 mmu 
C27.H23.N3.O9.F1.P1.S6.		31.0	774.9480	-0.0 mmu 
C12.H19.N15.O10.F1.P1.S6.		24.0	774.9485	-0.5 mmu 
C36.H20.N1.O3.F2.P1.S6.		40.0	774.9473	+0.7 mmu 
C21.H16.N13.O4.F2.P1.S6.		33.0	774.9478	+0.2 mmu 
C33.H21.N1.O4.F3.P1.S6.		36.0	774.9485	-0.5 mmu 
C17.H21.N9.O9.F3.P1.S6.		24.0	774.9476	+0.4 mmu 
C12.H10.N23.F4.P1.S6.		31.0	774.9488	-0.8 mmu 
C11.H14.N19.O4.F4.P1.S6.		26.0	774.9474	+0.6 mmu 
C14.H22.N9.O10.F4.P1.S6.		20.0	774.9488	-0.8 mmu 
C13.H26.N5.O14.F4.P1.S6.		15.0	774.9474	+0.6 mmu 
C23.H19.N7.O4.F5.P1.S6.		29.0	774.9481	-0.1 mmu 
C19.H24.N3.O9.F6.P1.S6.		20.0	774.9479	+0.1 mmu 
C13.H17.N13.O4.F7.P1.S6.		22.0	774.9477	+0.3 mmu 
C25.H22.N1.O4.F8.P1.S6.		25.0	774.9483	-0.3 mmu 
C15.H20.N7.O4.F10.P1.S6.		18.0	774.9479	+0.1 mmu 
C11.H25.N3.O9.F11.P1.S6.		9.0	774.9477	+0.3 mmu 
C28.H27.N1.O9.P2.S6.		31.0	774.9485	-0.5 mmu 
C12.H27.N9.O14.P2.S6.		19.0	774.9477	+0.3 mmu 
C22.H20.N11.O4.F1.P2.S6.		33.0	774.9483	-0.3 mmu 
C18.H25.N7.O9.F2.P2.S6.		24.0	774.9481	-0.1 mmu 
C27.H22.N5.O3.F3.P2.S6.		33.0	774.9474	+0.6 mmu 
C12.H18.N17.O4.F3.P2.S6.		26.0	774.9479	+0.1 mmu 
C14.H30.N3.O14.F3.P2.S6.		15.0	774.9479	+0.1 mmu 
C24.H23.N5.O4.F4.P2.S6.		29.0	774.9486	-0.6 mmu 
C23.H27.N1.O8.F4.P2.S6.		24.0	774.9472	+0.8 mmu 
C20.H28.N1.O9.F5.P2.S6.		20.0	774.9484	-0.4 mmu 
C14.H21.N11.O4.F6.P2.S6.		22.0	774.9482	-0.2 mmu 
C10.H26.N7.O9.F7.P2.S6.		13.0	774.9480	+0.0 mmu 
C19.H23.N5.O3.F8.P2.S6.		22.0	774.9473	+0.7 mmu 
C16.H24.N5.O4.F9.P2.S6.		18.0	774.9484	-0.4 mmu 
C12.H29.N1.O9.F10.P2.S6.		9.0	774.9482	-0.2 mmu 
C22.H28.N5.O8.P3.S6.		28.0	774.9475	+0.5 mmu 
C16.H21.N15.O3.F1.P3.S6.		30.0	774.9473	+0.7 mmu 
C19.H29.N5.O9.F1.P3.S6.		24.0	774.9486	-0.6 mmu 
C18.H33.N1.O13.F1.P3.S6.		19.0	774.9473	+0.7 mmu 
C28.H26.N3.O3.F2.P3.S6.		33.0	774.9479	+0.1 mmu 
C13.H22.N15.O4.F2.P3.S6.		26.0	774.9484	-0.4 mmu 
C15.H34.N1.O14.F2.P3.S6.		15.0	774.9484	-0.4 mmu 
C18.H24.N9.O3.F4.P3.S6.		26.0	774.9475	+0.5 mmu 
C15.H25.N9.O4.F5.P3.S6.		22.0	774.9487	-0.7 mmu 
C14.H29.N5.O8.F5.P3.S6.		17.0	774.9473	+0.7 mmu 
C11.H30.N5.O9.F6.P3.S6.		13.0	774.9485	-0.5 mmu 
C20.H27.N3.O3.F7.P3.S6.		22.0	774.9478	+0.2 mmu 
C10.H25.N9.O3.F9.P3.S6.		15.0	774.9474	+0.6 mmu 
C12.H28.N3.O3.F12.P3.S6.		11.0	774.9476	+0.4 mmu 
C32.H29.N1.O2.P4.S6.		37.0	774.9473	+0.7 mmu 
C29.H30.N1.O3.F1.P4.S6.		33.0	774.9484	-0.4 mmu 
C15.H33.N3.O8.F4.P4.S6.		17.0	774.9478	+0.2 mmu 
C21.H31.N1.O3.F6.P4.S6.		22.0	774.9483	-0.3 mmu 
C13.H32.N1.O3.F11.P4.S6.		11.0	774.9481	-0.1 mmu 
C16.H37.N1.O8.F3.P5.S6.		17.0	774.9484	-0.4 mmu 
C24.H35.N3.O2.P6.S6.		30.0	774.9479	+0.1 mmu 
C26.H13.N15.O1.S7.		42.0	774.9472	+0.8 mmu 
C29.H21.N5.O7.S7.		36.0	774.9486	-0.6 mmu 
C28.H25.N1.O11.S7.		31.0	774.9473	+0.7 mmu 
C13.H21.N13.O12.S7.		24.0	774.9478	+0.2 mmu 
C38.H18.N3.O1.F1.S7.		45.0	774.9479	+0.1 mmu 
C23.H14.N15.O2.F1.S7.		38.0	774.9484	-0.4 mmu 
C25.H26.N1.O12.F1.S7.		27.0	774.9484	-0.4 mmu 
C19.H19.N11.O7.F2.S7.		29.0	774.9482	-0.2 mmu 
C28.H16.N9.O1.F3.S7.		38.0	774.9475	+0.5 mmu 
C13.H12.N21.O2.F3.S7.		31.0	774.9480	+0.0 mmu 
C15.H24.N7.O12.F3.S7.		20.0	774.9480	+0.0 mmu 
C25.H17.N9.O2.F4.S7.		34.0	774.9486	-0.6 mmu 
C24.H21.N5.O6.F4.S7.		29.0	774.9473	+0.7 mmu 
C21.H22.N5.O7.F5.S7.		25.0	774.9484	-0.4 mmu 
C30.H19.N3.O1.F6.S7.		34.0	774.9477	+0.3 mmu 
C15.H15.N15.O2.F6.S7.		27.0	774.9482	-0.2 mmu 
C17.H27.N1.O12.F6.S7.		16.0	774.9482	-0.2 mmu 
C11.H20.N11.O7.F7.S7.		18.0	774.9480	-0.0 mmu 
C20.H17.N9.O1.F8.S7.		27.0	774.9473	+0.7 mmu 
C17.H18.N9.O2.F9.S7.		23.0	774.9485	-0.5 mmu 
C13.H23.N5.O7.F10.S7.		14.0	774.9483	-0.3 mmu 
C22.H20.N3.O1.F11.S7.		23.0	774.9476	+0.4 mmu 
C19.H21.N3.O2.F12.S7.		19.0	774.9487	-0.7 mmu 
C39.H22.N1.O1.P1.S7.		45.0	774.9484	-0.4 mmu 
C23.H22.N9.O6.P1.S7.		33.0	774.9476	+0.4 mmu 
C17.H15.N19.O1.F1.P1.S7.		35.0	774.9474	+0.6 mmu 
C20.H23.N9.O7.F1.P1.S7.		29.0	774.9487	-0.7 mmu 
C19.H27.N5.O11.F1.P1.S7.		24.0	774.9474	+0.6 mmu 
C29.H20.N7.O1.F2.P1.S7.		38.0	774.9480	+0.0 mmu 
C14.H16.N19.O2.F2.P1.S7.		31.0	774.9485	-0.5 mmu 
C16.H28.N5.O12.F2.P1.S7.		20.0	774.9485	-0.5 mmu 
C25.H25.N3.O6.F3.P1.S7.		29.0	774.9478	+0.2 mmu 
C19.H18.N13.O1.F4.P1.S7.		31.0	774.9476	+0.4 mmu 
C31.H23.N1.O1.F5.P1.S7.		34.0	774.9482	-0.2 mmu 
C16.H19.N13.O2.F5.P1.S7.		27.0	774.9487	-0.7 mmu 
C15.H23.N9.O6.F5.P1.S7.		22.0	774.9474	+0.6 mmu 
C12.H24.N9.O7.F6.P1.S7.		18.0	774.9485	-0.5 mmu 
C21.H21.N7.O1.F7.P1.S7.		27.0	774.9478	+0.2 mmu 
C17.H26.N3.O6.F8.P1.S7.		18.0	774.9476	+0.4 mmu 
C11.H19.N13.O1.F9.P1.S7.		20.0	774.9474	+0.6 mmu 
C23.H24.N1.O1.F10.P1.S7.		23.0	774.9481	-0.1 mmu 
C13.H22.N7.O1.F12.P1.S7.		16.0	774.9477	+0.3 mmu 
C33.H23.N5.P2.S7.		42.0	774.9474	+0.6 mmu 
C18.H19.N17.O1.P2.S7.		35.0	774.9479	+0.1 mmu 
C20.H31.N3.O11.P2.S7.		24.0	774.9479	+0.1 mmu 
C30.H24.N5.O1.F1.P2.S7.		38.0	774.9485	-0.5 mmu 
C14.H24.N13.O6.F1.P2.S7.		26.0	774.9477	+0.3 mmu 
C26.H29.N1.O6.F2.P2.S7.		29.0	774.9483	-0.3 mmu 
C20.H22.N11.O1.F3.P2.S7.		31.0	774.9481	-0.1 mmu 
C16.H27.N7.O6.F4.P2.S7.		22.0	774.9479	+0.1 mmu 
C12.H32.N3.O11.F5.P2.S7.		13.0	774.9477	+0.3 mmu 
C22.H25.N5.O1.F6.P2.S7.		27.0	774.9483	-0.3 mmu 
C18.H30.N1.O6.F7.P2.S7.		18.0	774.9482	-0.2 mmu 
C12.H23.N11.O1.F8.P2.S7.		20.0	774.9479	+0.1 mmu 
C14.H26.N5.O1.F11.P2.S7.		16.0	774.9482	-0.2 mmu 
C15.H28.N11.O6.P3.S7.		26.0	774.9482	-0.2 mmu 
C24.H25.N9.F1.P3.S7.		35.0	774.9475	+0.5 mmu 
C11.H33.N7.O11.F1.P3.S7.		17.0	774.9480	+0.0 mmu 
C21.H26.N9.O1.F2.P3.S7.		31.0	774.9486	-0.6 mmu 
C20.H30.N5.O5.F2.P3.S7.		26.0	774.9473	+0.7 mmu 
C17.H31.N5.O6.F3.P3.S7.		22.0	774.9484	-0.4 mmu 
C26.H28.N3.F4.P3.S7.		31.0	774.9477	+0.3 mmu 
C11.H24.N15.O1.F4.P3.S7.		24.0	774.9482	-0.2 mmu 
C13.H36.N1.O11.F4.P3.S7.		13.0	774.9482	-0.2 mmu 
C16.H26.N9.F6.P3.S7.		24.0	774.9473	+0.7 mmu 
C13.H27.N9.O1.F7.P3.S7.		20.0	774.9485	-0.5 mmu 
C18.H29.N3.F9.P3.S7.		20.0	774.9476	+0.4 mmu 
C15.H30.N3.O1.F10.P3.S7.		16.0	774.9487	-0.7 mmu 
C21.H34.N3.O5.F1.P4.S7.		26.0	774.9478	+0.2 mmu 
C27.H32.N1.F3.P4.S7.		31.0	774.9482	-0.2 mmu 
C13.H35.N3.O5.F6.P4.S7.		15.0	774.9476	+0.4 mmu 
C19.H33.N1.F8.P4.S7.		20.0	774.9481	-0.1 mmu 
C22.H38.N1.O5.P5.S7.		26.0	774.9483	-0.3 mmu 
C21.H25.N7.O9.S8.		29.0	774.9479	+0.1 mmu 
C30.H22.N5.O3.F1.S8.		38.0	774.9472	+0.8 mmu 
C15.H18.N17.O4.F1.S8.		31.0	774.9477	+0.3 mmu 
C17.H30.N3.O14.F1.S8.		20.0	774.9477	+0.3 mmu 
C27.H23.N5.O4.F2.S8.		34.0	774.9484	-0.4 mmu 
C23.H28.N1.O9.F3.S8.		25.0	774.9482	-0.2 mmu 
C17.H21.N11.O4.F4.S8.		27.0	774.9480	+0.0 mmu 
C13.H26.N7.O9.F5.S8.		18.0	774.9478	+0.2 mmu 
C19.H24.N5.O4.F7.S8.		23.0	774.9482	-0.2 mmu 
C15.H29.N1.O9.F8.S8.		14.0	774.9480	-0.0 mmu 
C31.H26.N3.O3.P1.S8.		38.0	774.9477	+0.3 mmu 
C16.H22.N15.O4.P1.S8.		31.0	774.9482	-0.2 mmu 
C18.H34.N1.O14.P1.S8.		20.0	774.9483	-0.3 mmu 
C21.H24.N9.O3.F2.P1.S8.		31.0	774.9473	+0.7 mmu 
C18.H25.N9.O4.F3.P1.S8.		27.0	774.9485	-0.5 mmu 
C14.H30.N5.O9.F4.P1.S8.		18.0	774.9483	-0.3 mmu 
C23.H27.N3.O3.F5.P1.S8.		27.0	774.9476	+0.4 mmu 
C20.H28.N3.O4.F6.P1.S8.		23.0	774.9487	-0.7 mmu 
C15.H28.N3.O3.F10.P1.S8.		16.0	774.9474	+0.6 mmu 
C13.H31.N9.O9.P2.S8.		22.0	774.9486	-0.6 mmu 
C22.H28.N7.O3.F1.P2.S8.		31.0	774.9479	+0.1 mmu 
C18.H33.N3.O8.F2.P2.S8.		22.0	774.9477	+0.3 mmu 
C24.H31.N1.O3.F4.P2.S8.		27.0	774.9481	-0.1 mmu 
C14.H29.N7.O3.F6.P2.S8.		20.0	774.9477	+0.3 mmu 
C16.H32.N1.O3.F9.P2.S8.		16.0	774.9479	+0.1 mmu 
C23.H32.N5.O3.P3.S8.		31.0	774.9484	-0.4 mmu 
C19.H37.N1.O8.F1.P3.S8.		22.0	774.9482	-0.2 mmu 
C13.H30.N11.O3.F2.P3.S8.		24.0	774.9480	+0.0 mmu 
C15.H33.N5.O3.F5.P3.S8.		20.0	774.9482	-0.2 mmu 
C19.H36.N3.O2.F3.P4.S8.		24.0	774.9476	+0.4 mmu 
C16.H37.N3.O3.F4.P4.S8.		20.0	774.9487	-0.7 mmu 
C20.H40.N1.O2.F2.P5.S8.		24.0	774.9481	-0.1 mmu 
C29.H29.N1.O6.S9.		34.0	774.9481	-0.1 mmu 
C14.H25.N13.O7.S9.		27.0	774.9486	-0.6 mmu 
C23.H22.N11.O1.F1.S9.		36.0	774.9479	+0.1 mmu 
C19.H27.N7.O6.F2.S9.		27.0	774.9477	+0.3 mmu 
C15.H32.N3.O11.F3.S9.		18.0	774.9475	+0.5 mmu 
C25.H25.N5.O1.F4.S9.		32.0	774.9482	-0.2 mmu 
C21.H30.N1.O6.F5.S9.		23.0	774.9480	+0.0 mmu 
C15.H23.N11.O1.F6.S9.		25.0	774.9478	+0.2 mmu 
C17.H26.N5.O1.F9.S9.		21.0	774.9480	-0.0 mmu 
C24.H26.N9.O1.P1.S9.		36.0	774.9484	-0.4 mmu 
C20.H31.N5.O6.F1.P1.S9.		27.0	774.9482	-0.2 mmu 
C29.H28.N3.F2.P1.S9.		36.0	774.9475	+0.5 mmu 
C14.H24.N15.O1.F2.P1.S9.		29.0	774.9480	-0.0 mmu 
C16.H36.N1.O11.F2.P1.S9.		18.0	774.9480	-0.0 mmu 
C26.H29.N3.O1.F3.P1.S9.		32.0	774.9487	-0.7 mmu 
C16.H27.N9.O1.F5.P1.S9.		25.0	774.9483	-0.3 mmu 
C21.H29.N3.F7.P1.S9.		25.0	774.9474	+0.6 mmu 
C18.H30.N3.O1.F8.P1.S9.		21.0	774.9485	-0.5 mmu 
C18.H27.N13.P2.S9.		33.0	774.9474	+0.6 mmu 
C21.H35.N3.O6.P2.S9.		27.0	774.9487	-0.7 mmu 
C30.H32.N1.F1.P2.S9.		36.0	774.9480	-0.0 mmu 
C15.H28.N13.O1.F1.P2.S9.		29.0	774.9485	-0.5 mmu 
C20.H30.N7.F3.P2.S9.		29.0	774.9476	+0.4 mmu 
C16.H35.N3.O5.F4.P2.S9.		20.0	774.9474	+0.6 mmu 
C22.H33.N1.F6.P2.S9.		25.0	774.9479	+0.1 mmu 
C14.H34.N1.F11.P2.S9.		14.0	774.9477	+0.3 mmu 
C15.H36.N7.O5.P3.S9.		24.0	774.9477	+0.3 mmu 
C21.H34.N5.F2.P3.S9.		29.0	774.9481	-0.1 mmu 
C17.H39.N1.O5.F3.P3.S9.		20.0	774.9480	+0.0 mmu 
C22.H38.N3.F1.P4.S9.		29.0	774.9487	-0.7 mmu 
C14.H39.N3.F6.P4.S9.		18.0	774.9485	-0.5 mmu 
C21.H33.N3.O8.S10.		27.0	774.9475	+0.5 mmu 
C18.H34.N3.O9.F1.S10.		23.0	774.9486	-0.6 mmu 
C27.H31.N1.O3.F2.S10.		32.0	774.9479	+0.1 mmu 
C17.H29.N7.O3.F4.S10.		25.0	774.9475	+0.5 mmu 
C19.H32.N1.O3.F7.S10.		21.0	774.9477	+0.3 mmu 
C16.H30.N11.O3.P1.S10.		29.0	774.9478	+0.2 mmu 
C18.H33.N5.O3.F3.P1.S10.		25.0	774.9480	-0.0 mmu 
C22.H36.N3.O2.F1.P2.S10.		29.0	774.9474	+0.6 mmu 
C19.H37.N3.O3.F2.P2.S10.		25.0	774.9485	-0.5 mmu 
C23.H40.N1.O2.P3.S10.		29.0	774.9479	+0.1 mmu 
C23.H30.N7.F1.S11.		34.0	774.9474	+0.6 mmu 
C20.H31.N7.O1.F2.S11.		30.0	774.9486	-0.6 mmu 
C19.H35.N3.O5.F2.S11.		25.0	774.9473	+0.7 mmu 
C25.H33.N1.F4.S11.		30.0	774.9477	+0.3 mmu 
C17.H34.N1.F9.S11.		19.0	774.9475	+0.5 mmu 
C24.H34.N5.P1.S11.		34.0	774.9480	+0.0 mmu 
C20.H39.N1.O5.F1.P1.S11.		25.0	774.9478	+0.2 mmu 
C17.H39.N3.F4.P2.S11.		23.0	774.9483	-0.3 mmu 
C22.H37.N3.O3.S12.		30.0	774.9483	-0.3 mmu 
C33.H10.N1.O20.Cl1.		29.0	774.9485	-0.5 mmu 
C52.N1.O4.F2.Cl1.		52.0	774.9484	-0.4 mmu 
C36.N9.O9.F2.Cl1.		40.0	774.9476	+0.4 mmu 
C23.H8.N7.O20.F2.Cl1.		22.0	774.9481	-0.1 mmu 
C29.H6.N5.O15.F4.Cl1.		27.0	774.9485	-0.5 mmu 
C25.H11.N1.O20.F5.Cl1.		18.0	774.9483	-0.3 mmu 
C19.H4.N11.O15.F6.Cl1.		20.0	774.9481	-0.1 mmu 
C21.H7.N5.O15.F9.Cl1.		16.0	774.9483	-0.3 mmu 
C15.N15.O10.F10.Cl1.		18.0	774.9481	-0.1 mmu 
C17.H12.N1.O20.F10.Cl1.		7.0	774.9482	-0.2 mmu 
C28.H7.N9.O15.P1.Cl1.		31.0	774.9488	-0.8 mmu 
C27.H11.N5.O19.P1.Cl1.		26.0	774.9474	+0.6 mmu 
C22.N19.O10.F1.P1.Cl1.		33.0	774.9486	-0.6 mmu 
C24.H12.N5.O20.F1.P1.Cl1.		22.0	774.9486	-0.6 mmu 
C23.H16.N1.O24.F1.P1.Cl1.		17.0	774.9472	+0.8 mmu 
C33.H9.N3.O14.F2.P1.Cl1.		31.0	774.9479	+0.1 mmu 
C18.H5.N15.O15.F2.P1.Cl1.		24.0	774.9484	-0.4 mmu 
C23.H7.N9.O14.F4.P1.Cl1.		24.0	774.9475	+0.5 mmu 
C33.N11.O4.F5.P1.Cl1.		38.0	774.9481	-0.1 mmu 
C17.N19.O9.F5.P1.Cl1.		26.0	774.9473	+0.7 mmu 
C20.H8.N9.O15.F5.P1.Cl1.		20.0	774.9486	-0.6 mmu 
C19.H12.N5.O19.F5.P1.Cl1.		15.0	774.9473	+0.7 mmu 
C25.H10.N3.O14.F7.P1.Cl1.		20.0	774.9477	+0.3 mmu 
C31.H8.N1.O9.F9.P1.Cl1.		25.0	774.9481	-0.1 mmu 
C16.H4.N13.O10.F9.P1.Cl1.		18.0	774.9487	-0.7 mmu 
C15.H8.N9.O14.F9.P1.Cl1.		13.0	774.9473	+0.7 mmu 
C21.H6.N7.O9.F11.P1.Cl1.		18.0	774.9477	+0.3 mmu 
C17.H11.N3.O14.F12.P1.Cl1.		9.0	774.9476	+0.4 mmu 
C35.N15.O3.P2.Cl1.		46.0	774.9472	+0.8 mmu 
C38.H8.N5.O9.P2.Cl1.		40.0	774.9486	-0.6 mmu 
C37.H12.N1.O13.P2.Cl1.		35.0	774.9472	+0.8 mmu 
C22.H8.N13.O14.P2.Cl1.		28.0	774.9477	+0.3 mmu 
C34.H13.N1.O14.F1.P2.Cl1.		31.0	774.9484	-0.4 mmu 
C18.H13.N9.O19.F1.P2.Cl1.		19.0	774.9475	+0.5 mmu 
C28.H6.N11.O9.F2.P2.Cl1.		33.0	774.9482	-0.2 mmu 
C12.H6.N19.O14.F2.P2.Cl1.		21.0	774.9473	+0.7 mmu 
C24.H11.N7.O14.F3.P2.Cl1.		24.0	774.9480	+0.0 mmu 
C33.H8.N5.O8.F4.P2.Cl1.		33.0	774.9473	+0.7 mmu 
C18.H4.N17.O9.F4.P2.Cl1.		26.0	774.9478	+0.2 mmu 
C20.H16.N3.O19.F4.P2.Cl1.		15.0	774.9478	+0.2 mmu 
C30.H9.N5.O9.F5.P2.Cl1.		29.0	774.9484	-0.4 mmu 
C14.H9.N13.O14.F5.P2.Cl1.		17.0	774.9476	+0.4 mmu 
C26.H14.N1.O14.F6.P2.Cl1.		20.0	774.9482	-0.2 mmu 
C20.H7.N11.O9.F7.P2.Cl1.		22.0	774.9480	-0.0 mmu 
C14.N21.O4.F8.P2.Cl1.		24.0	774.9478	+0.2 mmu 
C16.H12.N7.O14.F8.P2.Cl1.		13.0	774.9478	+0.2 mmu 
C10.H5.N17.O9.F9.P2.Cl1.		15.0	774.9476	+0.4 mmu 
C22.H10.N5.O9.F10.P2.Cl1.		18.0	774.9483	-0.3 mmu 
C31.H7.N3.O3.F11.P2.Cl1.		27.0	774.9476	+0.4 mmu 
C18.H15.N1.O14.F11.P2.Cl1.		9.0	774.9481	-0.1 mmu 
C28.H8.N3.O4.F12.P2.Cl1.		23.0	774.9487	-0.7 mmu 
C12.H8.N11.O9.F12.P2.Cl1.		11.0	774.9479	+0.1 mmu 
C32.H9.N9.O8.P3.Cl1.		37.0	774.9475	+0.5 mmu 
C17.H5.N21.O9.P3.Cl1.		30.0	774.9480	-0.0 mmu 
C19.H17.N7.O19.P3.Cl1.		19.0	774.9481	-0.1 mmu 
C29.H10.N9.O9.F1.P3.Cl1.		33.0	774.9487	-0.7 mmu 
C28.H14.N5.O13.F1.P3.Cl1.		28.0	774.9474	+0.6 mmu 
C13.H10.N17.O14.F1.P3.Cl1.		21.0	774.9479	+0.1 mmu 
C25.H15.N5.O14.F2.P3.Cl1.		24.0	774.9485	-0.5 mmu 
C34.H12.N3.O8.F3.P3.Cl1.		33.0	774.9478	+0.2 mmu 
C19.H8.N15.O9.F3.P3.Cl1.		26.0	774.9483	-0.3 mmu 
C21.H20.N1.O19.F3.P3.Cl1.		15.0	774.9483	-0.3 mmu 
C15.H13.N11.O14.F4.P3.Cl1.		17.0	774.9481	-0.1 mmu 
C40.H10.N1.O3.F5.P3.Cl1.		38.0	774.9482	-0.2 mmu 
C25.H6.N13.O4.F5.P3.Cl1.		31.0	774.9487	-0.7 mmu 
C24.H10.N9.O8.F5.P3.Cl1.		26.0	774.9474	+0.6 mmu 
C21.H11.N9.O9.F6.P3.Cl1.		22.0	774.9485	-0.5 mmu 
C30.H8.N7.O3.F7.P3.Cl1.		31.0	774.9478	+0.2 mmu 
C15.H4.N19.O4.F7.P3.Cl1.		24.0	774.9483	-0.3 mmu 
C17.H16.N5.O14.F7.P3.Cl1.		13.0	774.9483	-0.3 mmu 
C26.H13.N3.O8.F8.P3.Cl1.		22.0	774.9476	+0.4 mmu 
C11.H9.N15.O9.F8.P3.Cl1.		15.0	774.9481	-0.1 mmu 
C20.H6.N13.O3.F9.P3.Cl1.		24.0	774.9474	+0.6 mmu 
C23.H14.N3.O9.F9.P3.Cl1.		18.0	774.9488	-0.8 mmu 
C32.H11.N1.O3.F10.P3.Cl1.		27.0	774.9481	-0.1 mmu 
C17.H7.N13.O4.F10.P3.Cl1.		20.0	774.9486	-0.6 mmu 
C16.H11.N9.O8.F10.P3.Cl1.		15.0	774.9472	+0.8 mmu 
C13.H12.N9.O9.F11.P3.Cl1.		11.0	774.9484	-0.4 mmu 
C22.H9.N7.O3.F12.P3.Cl1.		20.0	774.9477	+0.3 mmu 
C42.H10.N5.O2.P4.Cl1.		46.0	774.9473	+0.7 mmu 
C27.H6.N17.O3.P4.Cl1.		39.0	774.9479	+0.1 mmu 
C29.H18.N3.O13.P4.Cl1.		28.0	774.9479	+0.1 mmu 
C14.H14.N15.O14.P4.Cl1.		21.0	774.9484	-0.4 mmu 
C39.H11.N5.O3.F1.P4.Cl1.		42.0	774.9485	-0.5 mmu 
C23.H11.N13.O8.F1.P4.Cl1.		30.0	774.9477	+0.3 mmu 
C17.H4.N23.O3.F2.P4.Cl1.		32.0	774.9475	+0.5 mmu 
C35.H16.N1.O8.F2.P4.Cl1.		33.0	774.9483	-0.3 mmu 
C19.H16.N9.O13.F2.P4.Cl1.		21.0	774.9475	+0.5 mmu 
C29.H9.N11.O3.F3.P4.Cl1.		35.0	774.9481	-0.1 mmu 
C14.H5.N23.O4.F3.P4.Cl1.		28.0	774.9486	-0.6 mmu 
C13.H9.N19.O8.F3.P4.Cl1.		23.0	774.9473	+0.7 mmu 
C16.H17.N9.O14.F3.P4.Cl1.		17.0	774.9486	-0.6 mmu 
C15.H21.N5.O18.F3.P4.Cl1.		12.0	774.9473	+0.7 mmu 
C25.H14.N7.O8.F4.P4.Cl1.		26.0	774.9479	+0.1 mmu 
C19.H7.N17.O3.F5.P4.Cl1.		28.0	774.9477	+0.3 mmu 
C21.H19.N3.O13.F5.P4.Cl1.		17.0	774.9477	+0.3 mmu 
C31.H12.N5.O3.F6.P4.Cl1.		31.0	774.9483	-0.3 mmu 
C15.H12.N13.O8.F6.P4.Cl1.		19.0	774.9475	+0.5 mmu 
C27.H17.N1.O8.F7.P4.Cl1.		22.0	774.9481	-0.1 mmu 
C21.H10.N11.O3.F8.P4.Cl1.		24.0	774.9479	+0.1 mmu 
C17.H15.N7.O8.F9.P4.Cl1.		15.0	774.9477	+0.3 mmu 
C13.H20.N3.O13.F10.P4.Cl1.		6.0	774.9475	+0.5 mmu 
C23.H13.N5.O3.F11.P4.Cl1.		20.0	774.9482	-0.2 mmu 
C19.H18.N1.O8.F12.P4.Cl1.		11.0	774.9480	+0.0 mmu 
C24.H15.N11.O8.P5.Cl1.		30.0	774.9482	-0.2 mmu 
C33.H12.N9.O2.F1.P5.Cl1.		39.0	774.9475	+0.5 mmu 
C18.H8.N21.O3.F1.P5.Cl1.		32.0	774.9480	+0.0 mmu 
C20.H20.N7.O13.F1.P5.Cl1.		21.0	774.9480	+0.0 mmu 
C30.H13.N9.O3.F2.P5.Cl1.		35.0	774.9486	-0.6 mmu 
C29.H17.N5.O7.F2.P5.Cl1.		30.0	774.9473	+0.7 mmu 
C16.H25.N3.O18.F2.P5.Cl1.		12.0	774.9478	+0.2 mmu 
C26.H18.N5.O8.F3.P5.Cl1.		26.0	774.9484	-0.4 mmu 
C35.H15.N3.O2.F4.P5.Cl1.		35.0	774.9477	+0.3 mmu 
C20.H11.N15.O3.F4.P5.Cl1.		28.0	774.9482	-0.2 mmu 
C22.H23.N1.O13.F4.P5.Cl1.		17.0	774.9482	-0.2 mmu 
C16.H16.N11.O8.F5.P5.Cl1.		19.0	774.9480	-0.0 mmu 
C25.H13.N9.O2.F6.P5.Cl1.		28.0	774.9473	+0.7 mmu 
C22.H14.N9.O3.F7.P5.Cl1.		24.0	774.9484	-0.4 mmu 
C18.H19.N5.O8.F8.P5.Cl1.		15.0	774.9482	-0.2 mmu 
C27.H16.N3.O2.F9.P5.Cl1.		24.0	774.9475	+0.5 mmu 
C24.H17.N3.O3.F10.P5.Cl1.		20.0	774.9487	-0.7 mmu 
C34.H16.N7.O2.P6.Cl1.		39.0	774.9480	+0.0 mmu 
C19.H12.N19.O3.P6.Cl1.		32.0	774.9485	-0.5 mmu 
C21.H24.N5.O13.P6.Cl1.		21.0	774.9485	-0.5 mmu 
C30.H21.N3.O7.F1.P6.Cl1.		30.0	774.9478	+0.2 mmu 
C24.H14.N13.O2.F2.P6.Cl1.		32.0	774.9476	+0.4 mmu 
C36.H19.N1.O2.F3.P6.Cl1.		35.0	774.9482	-0.2 mmu 
C21.H15.N13.O3.F3.P6.Cl1.		28.0	774.9487	-0.7 mmu 
C20.H19.N9.O7.F3.P6.Cl1.		23.0	774.9474	+0.6 mmu 
C26.H17.N7.O2.F5.P6.Cl1.		28.0	774.9478	+0.2 mmu 
C22.H22.N3.O7.F6.P6.Cl1.		19.0	774.9476	+0.4 mmu 
C19.H23.N3.O8.F7.P6.Cl1.		15.0	774.9488	-0.8 mmu 
C28.H20.N1.O2.F8.P6.Cl1.		24.0	774.9481	-0.1 mmu 
C31.H25.N1.O7.P7.Cl1.		30.0	774.9483	-0.3 mmu 
C25.H18.N11.O2.F1.P7.Cl1.		32.0	774.9481	-0.1 mmu 
C27.H21.N5.O2.F4.P7.Cl1.		28.0	774.9483	-0.3 mmu 
C23.H26.N1.O7.F5.P7.Cl1.		19.0	774.9481	-0.1 mmu 
C26.H22.N9.O2.P8.Cl1.		32.0	774.9486	-0.6 mmu 
C25.H26.N5.O6.P8.Cl1.		27.0	774.9473	+0.7 mmu 
C31.H24.N3.O1.F2.P8.Cl1.		32.0	774.9477	+0.3 mmu 
C32.H28.N1.O1.F1.P9.Cl1.		32.0	774.9482	-0.2 mmu 
C25.H14.N3.O22.S1.Cl1.		22.0	774.9478	+0.2 mmu 
C35.H7.N5.O12.F1.S1.Cl1.		36.0	774.9484	-0.4 mmu 
C19.H7.N13.O17.F1.S1.Cl1.		24.0	774.9476	+0.4 mmu 
C29.N15.O7.F2.S1.Cl1.		38.0	774.9482	-0.2 mmu 
C13.N23.O12.F2.S1.Cl1.		26.0	774.9474	+0.6 mmu 
C31.H12.N1.O17.F2.S1.Cl1.		27.0	774.9483	-0.3 mmu 
C16.H8.N13.O18.F2.S1.Cl1.		20.0	774.9488	-0.8 mmu 
C25.H5.N11.O12.F3.S1.Cl1.		29.0	774.9480	-0.0 mmu 
C21.H10.N7.O17.F4.S1.Cl1.		20.0	774.9479	+0.1 mmu 
C15.H3.N17.O12.F5.S1.Cl1.		22.0	774.9476	+0.4 mmu 
C40.N7.O1.F6.S1.Cl1.		43.0	774.9478	+0.2 mmu 
C27.H8.N5.O12.F6.S1.Cl1.		25.0	774.9483	-0.3 mmu 
C23.H13.N1.O17.F7.S1.Cl1.		16.0	774.9481	-0.1 mmu 
C17.H6.N11.O12.F8.S1.Cl1.		18.0	774.9479	+0.1 mmu 
C19.H9.N5.O12.F11.S1.Cl1.		14.0	774.9481	-0.1 mmu 
C28.H6.N3.O6.F12.S1.Cl1.		23.0	774.9474	+0.6 mmu 
C15.H14.N1.O17.F12.S1.Cl1.		5.0	774.9479	+0.1 mmu 
C20.H11.N11.O17.P1.S1.Cl1.		24.0	774.9481	-0.1 mmu 
C29.H8.N9.O11.F1.P1.S1.Cl1.		33.0	774.9474	+0.6 mmu 
C14.H4.N21.O12.F1.P1.S1.Cl1.		26.0	774.9479	+0.1 mmu 
C26.H9.N9.O12.F2.P1.S1.Cl1.		29.0	774.9486	-0.6 mmu 
C22.H14.N5.O17.F3.P1.S1.Cl1.		20.0	774.9484	-0.4 mmu 
C31.H11.N3.O11.F4.P1.S1.Cl1.		29.0	774.9477	+0.3 mmu 
C16.H7.N15.O12.F4.P1.S1.Cl1.		22.0	774.9482	-0.2 mmu 
C37.H9.N1.O6.F6.P1.S1.Cl1.		34.0	774.9481	-0.1 mmu 
C22.H5.N13.O7.F6.P1.S1.Cl1.		27.0	774.9486	-0.6 mmu 
C21.H9.N9.O11.F6.P1.S1.Cl1.		22.0	774.9473	+0.7 mmu 
C18.H10.N9.O12.F7.P1.S1.Cl1.		18.0	774.9484	-0.4 mmu 
C27.H7.N7.O6.F8.P1.S1.Cl1.		27.0	774.9477	+0.3 mmu 
C12.H3.N19.O7.F8.P1.S1.Cl1.		20.0	774.9482	-0.2 mmu 
C21.N17.O1.F9.P1.S1.Cl1.		29.0	774.9475	+0.5 mmu 
C23.H12.N3.O11.F9.P1.S1.Cl1.		18.0	774.9475	+0.5 mmu 
C17.H5.N13.O6.F10.P1.S1.Cl1.		20.0	774.9473	+0.7 mmu 
C20.H13.N3.O12.F10.P1.S1.Cl1.		14.0	774.9486	-0.6 mmu 
C29.H10.N1.O6.F11.P1.S1.Cl1.		23.0	774.9479	+0.1 mmu 
C14.H6.N13.O7.F11.P1.S1.Cl1.		16.0	774.9484	-0.4 mmu 
C10.H11.N9.O12.F12.P1.S1.Cl1.		7.0	774.9482	-0.2 mmu 
C28.N21.O1.P2.S1.Cl1.		44.0	774.9479	+0.1 mmu 
C30.H12.N7.O11.P2.S1.Cl1.		33.0	774.9479	+0.1 mmu 
C15.H8.N19.O12.P2.S1.Cl1.		26.0	774.9484	-0.4 mmu 
C24.H5.N17.O6.F1.P2.S1.Cl1.		35.0	774.9477	+0.3 mmu 
C26.H17.N3.O16.F1.P2.S1.Cl1.		24.0	774.9477	+0.3 mmu 
C36.H10.N5.O6.F2.P2.S1.Cl1.		38.0	774.9484	-0.4 mmu 
C20.H10.N13.O11.F2.P2.S1.Cl1.		26.0	774.9475	+0.5 mmu 
C14.H3.N23.O6.F3.P2.S1.Cl1.		28.0	774.9473	+0.7 mmu 
C32.H15.N1.O11.F3.P2.S1.Cl1.		29.0	774.9482	-0.2 mmu 
C17.H11.N13.O12.F3.P2.S1.Cl1.		22.0	774.9487	-0.7 mmu 
C16.H15.N9.O16.F3.P2.S1.Cl1.		17.0	774.9473	+0.7 mmu 
C26.H8.N11.O6.F4.P2.S1.Cl1.		31.0	774.9480	+0.0 mmu 
C22.H13.N7.O11.F5.P2.S1.Cl1.		22.0	774.9478	+0.2 mmu 
C16.H6.N17.O6.F6.P2.S1.Cl1.		24.0	774.9476	+0.4 mmu 
C18.H18.N3.O16.F6.P2.S1.Cl1.		13.0	774.9476	+0.4 mmu 
C28.H11.N5.O6.F7.P2.S1.Cl1.		27.0	774.9482	-0.2 mmu 
C13.H7.N17.O7.F7.P2.S1.Cl1.		20.0	774.9487	-0.7 mmu 
C12.H11.N13.O11.F7.P2.S1.Cl1.		15.0	774.9474	+0.6 mmu 
C15.H19.N3.O17.F7.P2.S1.Cl1.		9.0	774.9487	-0.7 mmu 
C37.H8.N3.F8.P2.S1.Cl1.		36.0	774.9475	+0.5 mmu 
C24.H16.N1.O11.F8.P2.S1.Cl1.		18.0	774.9480	-0.0 mmu 
C34.H9.N3.O1.F9.P2.S1.Cl1.		32.0	774.9486	-0.6 mmu 
C18.H9.N11.O6.F9.P2.S1.Cl1.		20.0	774.9478	+0.2 mmu 
C14.H14.N7.O11.F10.P2.S1.Cl1.		11.0	774.9476	+0.4 mmu 
C24.H7.N9.O1.F11.P2.S1.Cl1.		25.0	774.9482	-0.2 mmu 
C11.H15.N7.O12.F11.P2.S1.Cl1.		7.0	774.9488	-0.8 mmu 
C20.H12.N5.O6.F12.P2.S1.Cl1.		16.0	774.9480	-0.0 mmu 
C40.H13.N3.O5.P3.S1.Cl1.		42.0	774.9477	+0.3 mmu 
C25.H9.N15.O6.P3.S1.Cl1.		35.0	774.9482	-0.2 mmu 
C27.H21.N1.O16.P3.S1.Cl1.		24.0	774.9482	-0.2 mmu 
C21.H14.N11.O11.F1.P3.S1.Cl1.		26.0	774.9480	-0.0 mmu 
C46.H11.N1.F2.P3.S1.Cl1.		47.0	774.9482	-0.2 mmu 
C31.H7.N13.O1.F2.P3.S1.Cl1.		40.0	774.9487	-0.7 mmu 
C30.H11.N9.O5.F2.P3.S1.Cl1.		35.0	774.9473	+0.7 mmu 
C15.H7.N21.O6.F2.P3.S1.Cl1.		28.0	774.9478	+0.2 mmu 
C17.H19.N7.O16.F2.P3.S1.Cl1.		17.0	774.9478	+0.2 mmu 
C27.H12.N9.O6.F3.P3.S1.Cl1.		31.0	774.9485	-0.5 mmu 
C11.H12.N17.O11.F3.P3.S1.Cl1.		19.0	774.9476	+0.4 mmu 
C36.H9.N7.F4.P3.S1.Cl1.		40.0	774.9478	+0.2 mmu 
C21.H5.N19.O1.F4.P3.S1.Cl1.		33.0	774.9483	-0.3 mmu 
C23.H17.N5.O11.F4.P3.S1.Cl1.		22.0	774.9483	-0.3 mmu 
C32.H14.N3.O5.F5.P3.S1.Cl1.		31.0	774.9476	+0.4 mmu 
C17.H10.N15.O6.F5.P3.S1.Cl1.		24.0	774.9481	-0.1 mmu 
C19.H22.N1.O16.F5.P3.S1.Cl1.		13.0	774.9481	-0.1 mmu 
C26.H7.N13.F6.P3.S1.Cl1.		33.0	774.9474	+0.6 mmu 
C29.H15.N3.O6.F6.P3.S1.Cl1.		27.0	774.9487	-0.7 mmu 
C13.H15.N11.O11.F6.P3.S1.Cl1.		15.0	774.9479	+0.1 mmu 
C38.H12.N1.F7.P3.S1.Cl1.		36.0	774.9480	-0.0 mmu 
C23.H8.N13.O1.F7.P3.S1.Cl1.		29.0	774.9485	-0.5 mmu 
C19.H13.N9.O6.F8.P3.S1.Cl1.		20.0	774.9483	-0.3 mmu 
C28.H10.N7.F9.P3.S1.Cl1.		29.0	774.9476	+0.4 mmu 
C13.H6.N19.O1.F9.P3.S1.Cl1.		22.0	774.9481	-0.1 mmu 
C15.H18.N5.O11.F9.P3.S1.Cl1.		11.0	774.9481	-0.1 mmu 
C25.H11.N7.O1.F10.P3.S1.Cl1.		25.0	774.9487	-0.7 mmu 
C24.H15.N3.O5.F10.P3.S1.Cl1.		20.0	774.9474	+0.6 mmu 
C21.H16.N3.O6.F11.P3.S1.Cl1.		16.0	774.9486	-0.6 mmu 
C30.H13.N1.F12.P3.S1.Cl1.		25.0	774.9478	+0.2 mmu 
C15.H9.N13.O1.F12.P3.S1.Cl1.		18.0	774.9483	-0.3 mmu 
C35.H10.N11.P4.S1.Cl1.		44.0	774.9480	-0.0 mmu 
C20.H6.N23.O1.P4.S1.Cl1.		37.0	774.9485	-0.5 mmu 
C22.H18.N9.O11.P4.S1.Cl1.		26.0	774.9485	-0.5 mmu 
C31.H15.N7.O5.F1.P4.S1.Cl1.		35.0	774.9478	+0.2 mmu 
C16.H11.N19.O6.F1.P4.S1.Cl1.		28.0	774.9483	-0.3 mmu 
C18.H23.N5.O16.F1.P4.S1.Cl1.		17.0	774.9484	-0.4 mmu 
C25.H8.N17.F2.P4.S1.Cl1.		37.0	774.9476	+0.4 mmu 
C27.H20.N3.O10.F2.P4.S1.Cl1.		26.0	774.9476	+0.4 mmu 
C37.H13.N5.F3.P4.S1.Cl1.		40.0	774.9483	-0.3 mmu 
C21.H13.N13.O5.F3.P4.S1.Cl1.		28.0	774.9474	+0.6 mmu 
C15.H6.N23.F4.P4.S1.Cl1.		30.0	774.9472	+0.8 mmu 
C33.H18.N1.O5.F4.P4.S1.Cl1.		31.0	774.9481	-0.1 mmu 
C18.H14.N13.O6.F4.P4.S1.Cl1.		24.0	774.9486	-0.6 mmu 
C17.H18.N9.O10.F4.P4.S1.Cl1.		19.0	774.9472	+0.8 mmu 
C27.H11.N11.F5.P4.S1.Cl1.		33.0	774.9479	+0.1 mmu 
C14.H19.N9.O11.F5.P4.S1.Cl1.		15.0	774.9484	-0.4 mmu 
C23.H16.N7.O5.F6.P4.S1.Cl1.		24.0	774.9477	+0.3 mmu 
C17.H9.N17.F7.P4.S1.Cl1.		26.0	774.9475	+0.5 mmu 
C19.H21.N3.O10.F7.P4.S1.Cl1.		15.0	774.9475	+0.5 mmu 
C29.H14.N5.F8.P4.S1.Cl1.		29.0	774.9481	-0.1 mmu 
C14.H10.N17.O1.F8.P4.S1.Cl1.		22.0	774.9486	-0.6 mmu 
C13.H14.N13.O5.F8.P4.S1.Cl1.		17.0	774.9473	+0.7 mmu 
C16.H22.N3.O11.F8.P4.S1.Cl1.		11.0	774.9486	-0.6 mmu 
C25.H19.N1.O5.F9.P4.S1.Cl1.		20.0	774.9479	+0.1 mmu 
C19.H12.N11.F10.P4.S1.Cl1.		22.0	774.9477	+0.3 mmu 
C15.H17.N7.O5.F11.P4.S1.Cl1.		13.0	774.9475	+0.5 mmu 
C32.H19.N5.O5.P5.S1.Cl1.		35.0	774.9483	-0.3 mmu 
C16.H19.N13.O10.P5.S1.Cl1.		23.0	774.9475	+0.5 mmu 
C26.H12.N15.F1.P5.S1.Cl1.		37.0	774.9481	-0.1 mmu 
C28.H24.N1.O10.F1.P5.S1.Cl1.		26.0	774.9482	-0.2 mmu 
C22.H17.N11.O5.F2.P5.S1.Cl1.		28.0	774.9480	+0.0 mmu 
C16.H10.N21.F3.P5.S1.Cl1.		30.0	774.9477	+0.3 mmu 
C18.H22.N7.O10.F3.P5.S1.Cl1.		19.0	774.9478	+0.2 mmu 
C28.H15.N9.F4.P5.S1.Cl1.		33.0	774.9484	-0.4 mmu 
C24.H20.N5.O5.F5.P5.S1.Cl1.		24.0	774.9482	-0.2 mmu 
C18.H13.N15.F6.P5.S1.Cl1.		26.0	774.9480	+0.0 mmu 
C20.H25.N1.O10.F6.P5.S1.Cl1.		15.0	774.9480	+0.0 mmu 
C30.H18.N3.F7.P5.S1.Cl1.		29.0	774.9486	-0.6 mmu 
C20.H16.N9.F9.P5.S1.Cl1.		22.0	774.9482	-0.2 mmu 
C16.H21.N5.O5.F10.P5.S1.Cl1.		13.0	774.9480	-0.0 mmu 
C22.H19.N3.F12.P5.S1.Cl1.		18.0	774.9485	-0.5 mmu 
C27.H16.N13.P6.S1.Cl1.		37.0	774.9487	-0.7 mmu 
C26.H20.N9.O4.P6.S1.Cl1.		32.0	774.9473	+0.7 mmu 
C23.H21.N9.O5.F1.P6.S1.Cl1.		28.0	774.9485	-0.5 mmu 
C19.H26.N5.O10.F2.P6.S1.Cl1.		19.0	774.9483	-0.3 mmu 
C28.H23.N3.O4.F3.P6.S1.Cl1.		28.0	774.9476	+0.4 mmu 
C25.H24.N3.O5.F4.P6.S1.Cl1.		24.0	774.9487	-0.7 mmu 
C19.H17.N13.F5.P6.S1.Cl1.		26.0	774.9485	-0.5 mmu 
C21.H20.N7.F8.P6.S1.Cl1.		22.0	774.9487	-0.7 mmu 
C20.H24.N3.O4.F8.P6.S1.Cl1.		17.0	774.9474	+0.6 mmu 
C23.H29.N3.O9.P7.S1.Cl1.		23.0	774.9476	+0.4 mmu 
C29.H27.N1.O4.F2.P7.S1.Cl1.		28.0	774.9481	-0.1 mmu 
C18.H14.N9.O20.S2.Cl1.		20.0	774.9485	-0.5 mmu 
C27.H11.N7.O14.F1.S2.Cl1.		29.0	774.9478	+0.2 mmu 
C23.H16.N3.O19.F2.S2.Cl1.		20.0	774.9476	+0.4 mmu 
C33.H9.N5.O9.F3.S2.Cl1.		34.0	774.9482	-0.2 mmu 
C18.H5.N17.O10.F3.S2.Cl1.		27.0	774.9487	-0.7 mmu 
C17.H9.N13.O14.F3.S2.Cl1.		22.0	774.9474	+0.6 mmu 
C20.H17.N3.O20.F3.S2.Cl1.		16.0	774.9487	-0.7 mmu 
C29.H14.N1.O14.F4.S2.Cl1.		25.0	774.9480	-0.0 mmu 
C14.H10.N13.O15.F4.S2.Cl1.		18.0	774.9485	-0.5 mmu 
C23.H7.N11.O9.F5.S2.Cl1.		27.0	774.9478	+0.2 mmu 
C17.N21.O4.F6.S2.Cl1.		29.0	774.9476	+0.4 mmu 
C19.H12.N7.O14.F6.S2.Cl1.		18.0	774.9476	+0.4 mmu 
C13.H5.N17.O9.F7.S2.Cl1.		20.0	774.9474	+0.6 mmu 
C25.H10.N5.O9.F8.S2.Cl1.		23.0	774.9481	-0.1 mmu 
C10.H6.N17.O10.F8.S2.Cl1.		16.0	774.9486	-0.6 mmu 
C34.H7.N3.O3.F9.S2.Cl1.		32.0	774.9474	+0.6 mmu 
C21.H15.N1.O14.F9.S2.Cl1.		14.0	774.9479	+0.1 mmu 
C31.H8.N3.O4.F10.S2.Cl1.		28.0	774.9485	-0.5 mmu 
C15.H8.N11.O9.F10.S2.Cl1.		16.0	774.9477	+0.3 mmu 
C21.H6.N9.O4.F12.S2.Cl1.		21.0	774.9481	-0.1 mmu 
C28.H15.N5.O14.P1.S2.Cl1.		29.0	774.9483	-0.3 mmu 
C37.H12.N3.O8.F1.P1.S2.Cl1.		38.0	774.9476	+0.4 mmu 
C22.H8.N15.O9.F1.P1.S2.Cl1.		31.0	774.9481	-0.1 mmu 
C24.H20.N1.O19.F1.P1.S2.Cl1.		20.0	774.9481	-0.1 mmu 
C34.H13.N3.O9.F2.P1.S2.Cl1.		34.0	774.9487	-0.7 mmu 
C18.H13.N11.O14.F2.P1.S2.Cl1.		22.0	774.9479	+0.1 mmu 
C43.H10.N1.O3.F3.P1.S2.Cl1.		43.0	774.9480	-0.0 mmu 
C28.H6.N13.O4.F3.P1.S2.Cl1.		36.0	774.9485	-0.5 mmu 
C12.H6.N21.O9.F3.P1.S2.Cl1.		24.0	774.9477	+0.3 mmu 
C24.H11.N9.O9.F4.P1.S2.Cl1.		27.0	774.9483	-0.3 mmu 
C33.H8.N7.O3.F5.P1.S2.Cl1.		36.0	774.9476	+0.4 mmu 
C18.H4.N19.O4.F5.P1.S2.Cl1.		29.0	774.9481	-0.1 mmu 
C20.H16.N5.O14.F5.P1.S2.Cl1.		18.0	774.9481	-0.1 mmu 
C29.H13.N3.O8.F6.P1.S2.Cl1.		27.0	774.9474	+0.6 mmu 
C14.H9.N15.O9.F6.P1.S2.Cl1.		20.0	774.9479	+0.1 mmu 
C16.H21.N1.O19.F6.P1.S2.Cl1.		9.0	774.9480	+0.0 mmu 
C23.H6.N13.O3.F7.P1.S2.Cl1.		29.0	774.9472	+0.8 mmu 
C26.H14.N3.O9.F7.P1.S2.Cl1.		23.0	774.9486	-0.6 mmu 
C35.H11.N1.O3.F8.P1.S2.Cl1.		32.0	774.9479	+0.1 mmu 
C20.H7.N13.O4.F8.P1.S2.Cl1.		25.0	774.9484	-0.4 mmu 
C16.H12.N9.O9.F9.P1.S2.Cl1.		16.0	774.9482	-0.2 mmu 
C25.H9.N7.O3.F10.P1.S2.Cl1.		25.0	774.9475	+0.5 mmu 
C10.H5.N19.O4.F10.P1.S2.Cl1.		18.0	774.9480	+0.0 mmu 
C12.H17.N5.O14.F10.P1.S2.Cl1.		7.0	774.9480	+0.0 mmu 
C22.H10.N7.O4.F11.P1.S2.Cl1.		21.0	774.9486	-0.6 mmu 
C21.H14.N3.O8.F11.P1.S2.Cl1.		16.0	774.9473	+0.7 mmu 
C18.H15.N3.O9.F12.P1.S2.Cl1.		12.0	774.9484	-0.4 mmu 
C20.H4.N23.O3.P2.S2.Cl1.		37.0	774.9473	+0.7 mmu 
C38.H16.N1.O8.P2.S2.Cl1.		38.0	774.9481	-0.1 mmu 
C23.H12.N13.O9.P2.S2.Cl1.		31.0	774.9486	-0.6 mmu 
C22.H16.N9.O13.P2.S2.Cl1.		26.0	774.9473	+0.7 mmu 
C32.H9.N11.O3.F1.P2.S2.Cl1.		40.0	774.9479	+0.1 mmu 
C17.H5.N23.O4.F1.P2.S2.Cl1.		33.0	774.9484	-0.4 mmu 
C19.H17.N9.O14.F1.P2.S2.Cl1.		22.0	774.9484	-0.4 mmu 
C28.H14.N7.O8.F2.P2.S2.Cl1.		31.0	774.9477	+0.3 mmu 
C13.H10.N19.O9.F2.P2.S2.Cl1.		24.0	774.9482	-0.2 mmu 
C22.H7.N17.O3.F3.P2.S2.Cl1.		33.0	774.9475	+0.5 mmu 
C24.H19.N3.O13.F3.P2.S2.Cl1.		22.0	774.9475	+0.5 mmu 
C34.H12.N5.O3.F4.P2.S2.Cl1.		36.0	774.9481	-0.1 mmu 
C19.H8.N17.O4.F4.P2.S2.Cl1.		29.0	774.9486	-0.6 mmu 
C18.H12.N13.O8.F4.P2.S2.Cl1.		24.0	774.9473	+0.7 mmu 
C21.H20.N3.O14.F4.P2.S2.Cl1.		18.0	774.9487	-0.7 mmu 
C30.H17.N1.O8.F5.P2.S2.Cl1.		27.0	774.9479	+0.1 mmu 
C15.H13.N13.O9.F5.P2.S2.Cl1.		20.0	774.9485	-0.5 mmu 
C24.H10.N11.O3.F6.P2.S2.Cl1.		29.0	774.9477	+0.3 mmu 
C20.H15.N7.O8.F7.P2.S2.Cl1.		20.0	774.9476	+0.4 mmu 
C14.H8.N17.O3.F8.P2.S2.Cl1.		22.0	774.9473	+0.7 mmu 
C17.H16.N7.O9.F8.P2.S2.Cl1.		16.0	774.9487	-0.7 mmu 
C16.H20.N3.O13.F8.P2.S2.Cl1.		11.0	774.9474	+0.6 mmu 
C26.H13.N5.O3.F9.P2.S2.Cl1.		25.0	774.9480	+0.0 mmu 
C11.H9.N17.O4.F9.P2.S2.Cl1.		18.0	774.9485	-0.5 mmu 
C13.H21.N3.O14.F9.P2.S2.Cl1.		7.0	774.9485	-0.5 mmu 
C22.H18.N1.O8.F10.P2.S2.Cl1.		16.0	774.9478	+0.2 mmu 
C16.H11.N11.O3.F11.P2.S2.Cl1.		18.0	774.9476	+0.4 mmu 
C13.H12.N11.O4.F12.P2.S2.Cl1.		14.0	774.9487	-0.7 mmu 
C12.H16.N7.O8.F12.P2.S2.Cl1.		9.0	774.9474	+0.6 mmu 
C33.H13.N9.O3.P3.S2.Cl1.		40.0	774.9484	-0.4 mmu 
C17.H13.N17.O8.P3.S2.Cl1.		28.0	774.9476	+0.4 mmu 
C19.H25.N3.O18.P3.S2.Cl1.		17.0	774.9476	+0.4 mmu 
C29.H18.N5.O8.F1.P3.S2.Cl1.		31.0	774.9482	-0.2 mmu 
C14.H14.N17.O9.F1.P3.S2.Cl1.		24.0	774.9487	-0.7 mmu 
C13.H18.N13.O13.F1.P3.S2.Cl1.		19.0	774.9474	+0.6 mmu 
C16.H26.N3.O19.F1.P3.S2.Cl1.		13.0	774.9487	-0.7 mmu 
C38.H15.N3.O2.F2.P3.S2.Cl1.		40.0	774.9475	+0.5 mmu 
C23.H11.N15.O3.F2.P3.S2.Cl1.		33.0	774.9480	-0.0 mmu 
C25.H23.N1.O13.F2.P3.S2.Cl1.		22.0	774.9480	-0.0 mmu 
C35.H16.N3.O3.F3.P3.S2.Cl1.		36.0	774.9487	-0.7 mmu 
C19.H16.N11.O8.F3.P3.S2.Cl1.		24.0	774.9478	+0.2 mmu 
C13.H9.N21.O3.F4.P3.S2.Cl1.		26.0	774.9476	+0.4 mmu 
C15.H21.N7.O13.F4.P3.S2.Cl1.		15.0	774.9476	+0.4 mmu 
C25.H14.N9.O3.F5.P3.S2.Cl1.		29.0	774.9483	-0.3 mmu 
C12.H22.N7.O14.F5.P3.S2.Cl1.		11.0	774.9488	-0.8 mmu 
C21.H19.N5.O8.F6.P3.S2.Cl1.		20.0	774.9481	-0.1 mmu 
C30.H16.N3.O2.F7.P3.S2.Cl1.		29.0	774.9474	+0.6 mmu 
C15.H12.N15.O3.F7.P3.S2.Cl1.		22.0	774.9479	+0.1 mmu 
C17.H24.N1.O13.F7.P3.S2.Cl1.		11.0	774.9479	+0.1 mmu 
C27.H17.N3.O3.F8.P3.S2.Cl1.		25.0	774.9485	-0.5 mmu 
C11.H17.N11.O8.F8.P3.S2.Cl1.		13.0	774.9477	+0.3 mmu 
C17.H15.N9.O3.F10.P3.S2.Cl1.		18.0	774.9481	-0.1 mmu 
C13.H20.N5.O8.F11.P3.S2.Cl1.		9.0	774.9479	+0.1 mmu 
C27.H14.N13.O2.P4.S2.Cl1.		37.0	774.9474	+0.6 mmu 
C30.H22.N3.O8.P4.S2.Cl1.		31.0	774.9487	-0.7 mmu 
C14.H22.N11.O13.P4.S2.Cl1.		19.0	774.9479	+0.1 mmu 
C39.H19.N1.O2.F1.P4.S2.Cl1.		40.0	774.9480	-0.0 mmu 
C24.H15.N13.O3.F1.P4.S2.Cl1.		33.0	774.9485	-0.5 mmu 
C20.H20.N9.O8.F2.P4.S2.Cl1.		24.0	774.9483	-0.3 mmu 
C29.H17.N7.O2.F3.P4.S2.Cl1.		33.0	774.9476	+0.4 mmu 
C14.H13.N19.O3.F3.P4.S2.Cl1.		26.0	774.9481	-0.1 mmu 
C16.H25.N5.O13.F3.P4.S2.Cl1.		15.0	774.9481	-0.1 mmu 
C26.H18.N7.O3.F4.P4.S2.Cl1.		29.0	774.9488	-0.8 mmu 
C25.H22.N3.O7.F4.P4.S2.Cl1.		24.0	774.9474	+0.6 mmu 
C22.H23.N3.O8.F5.P4.S2.Cl1.		20.0	774.9486	-0.6 mmu 
C31.H20.N1.O2.F6.P4.S2.Cl1.		29.0	774.9479	+0.1 mmu 
C16.H16.N13.O3.F6.P4.S2.Cl1.		22.0	774.9484	-0.4 mmu 
C21.H18.N7.O2.F8.P4.S2.Cl1.		22.0	774.9475	+0.5 mmu 
C18.H19.N7.O3.F9.P4.S2.Cl1.		18.0	774.9486	-0.6 mmu 
C17.H23.N3.O7.F9.P4.S2.Cl1.		13.0	774.9473	+0.7 mmu 
C14.H24.N3.O8.F10.P4.S2.Cl1.		9.0	774.9484	-0.4 mmu 
C23.H21.N1.O2.F11.P4.S2.Cl1.		18.0	774.9477	+0.3 mmu 
C24.H23.N7.O7.P5.S2.Cl1.		28.0	774.9477	+0.3 mmu 
C18.H16.N17.O2.F1.P5.S2.Cl1.		30.0	774.9475	+0.5 mmu 
C20.H28.N3.O12.F1.P5.S2.Cl1.		19.0	774.9475	+0.5 mmu 
C30.H21.N5.O2.F2.P5.S2.Cl1.		33.0	774.9481	-0.1 mmu 
C17.H29.N3.O13.F2.P5.S2.Cl1.		15.0	774.9486	-0.6 mmu 
C26.H26.N1.O7.F3.P5.S2.Cl1.		24.0	774.9479	+0.1 mmu 
C20.H19.N11.O2.F4.P5.S2.Cl1.		26.0	774.9477	+0.3 mmu 
C16.H24.N7.O7.F5.P5.S2.Cl1.		17.0	774.9475	+0.5 mmu 
C22.H22.N5.O2.F7.P5.S2.Cl1.		22.0	774.9480	+0.0 mmu 
C18.H27.N1.O7.F8.P5.S2.Cl1.		13.0	774.9478	+0.2 mmu 
C34.H24.N3.O1.P6.S2.Cl1.		37.0	774.9475	+0.5 mmu 
C19.H20.N15.O2.P6.S2.Cl1.		30.0	774.9480	-0.0 mmu 
C21.H32.N1.O12.P6.S2.Cl1.		19.0	774.9480	-0.0 mmu 
C31.H25.N3.O2.F1.P6.S2.Cl1.		33.0	774.9486	-0.6 mmu 
C21.H23.N9.O2.F3.P6.S2.Cl1.		26.0	774.9482	-0.2 mmu 
C26.H25.N3.O1.F5.P6.S2.Cl1.		26.0	774.9473	+0.7 mmu 
C23.H26.N3.O2.F6.P6.S2.Cl1.		22.0	774.9485	-0.5 mmu 
C25.H26.N7.O1.F1.P7.S2.Cl1.		30.0	774.9476	+0.4 mmu 
C22.H27.N7.O2.F2.P7.S2.Cl1.		26.0	774.9488	-0.8 mmu 
C27.H29.N1.O1.F4.P7.S2.Cl1.		26.0	774.9479	+0.1 mmu 
C26.H30.N5.O1.P8.S2.Cl1.		30.0	774.9481	-0.1 mmu 
C39.H10.N5.O6.S3.Cl1.		43.0	774.9482	-0.2 mmu 
C24.H6.N17.O7.S3.Cl1.		36.0	774.9487	-0.7 mmu 
C23.H10.N13.O11.S3.Cl1.		31.0	774.9473	+0.7 mmu 
C26.H18.N3.O17.S3.Cl1.		25.0	774.9487	-0.7 mmu 
C35.H15.N1.O11.F1.S3.Cl1.		34.0	774.9480	+0.0 mmu 
C20.H11.N13.O12.F1.S3.Cl1.		27.0	774.9485	-0.5 mmu 
C29.H8.N11.O6.F2.S3.Cl1.		36.0	774.9478	+0.2 mmu 
C14.H4.N23.O7.F2.S3.Cl1.		29.0	774.9483	-0.3 mmu 
C16.H16.N9.O17.F2.S3.Cl1.		18.0	774.9483	-0.3 mmu 
C25.H13.N7.O11.F3.S3.Cl1.		27.0	774.9476	+0.4 mmu 
C10.H9.N19.O12.F3.S3.Cl1.		20.0	774.9481	-0.1 mmu 
C19.H6.N17.O6.F4.S3.Cl1.		29.0	774.9474	+0.6 mmu 
C22.H14.N7.O12.F4.S3.Cl1.		23.0	774.9487	-0.7 mmu 
C21.H18.N3.O16.F4.S3.Cl1.		18.0	774.9474	+0.6 mmu 
C31.H11.N5.O6.F5.S3.Cl1.		32.0	774.9480	-0.0 mmu 
C16.H7.N17.O7.F5.S3.Cl1.		25.0	774.9485	-0.5 mmu 
C18.H19.N3.O17.F5.S3.Cl1.		14.0	774.9485	-0.5 mmu 
C40.H8.N3.F6.S3.Cl1.		41.0	774.9473	+0.7 mmu 
C27.H16.N1.O11.F6.S3.Cl1.		23.0	774.9478	+0.2 mmu 
C12.H12.N13.O12.F6.S3.Cl1.		16.0	774.9483	-0.3 mmu 
C37.H9.N3.O1.F7.S3.Cl1.		37.0	774.9484	-0.4 mmu 
C21.H9.N11.O6.F7.S3.Cl1.		25.0	774.9476	+0.4 mmu 
C18.H10.N11.O7.F8.S3.Cl1.		21.0	774.9488	-0.8 mmu 
C17.H14.N7.O11.F8.S3.Cl1.		16.0	774.9474	+0.6 mmu 
C27.H7.N9.O1.F9.S3.Cl1.		30.0	774.9480	-0.0 mmu 
C12.H3.N21.O2.F9.S3.Cl1.		23.0	774.9486	-0.6 mmu 
C14.H15.N7.O12.F9.S3.Cl1.		12.0	774.9486	-0.6 mmu 
C23.H12.N5.O6.F10.S3.Cl1.		21.0	774.9479	+0.1 mmu 
C17.H5.N15.O1.F11.S3.Cl1.		23.0	774.9476	+0.4 mmu 
C19.H17.N1.O11.F11.S3.Cl1.		12.0	774.9477	+0.3 mmu 
C29.H10.N3.O1.F12.S3.Cl1.		26.0	774.9483	-0.3 mmu 
C13.H10.N11.O6.F12.S3.Cl1.		14.0	774.9475	+0.5 mmu 
C49.H11.N1.P1.S3.Cl1.		52.0	774.9480	+0.0 mmu 
C34.H7.N13.O1.P1.S3.Cl1.		45.0	774.9485	-0.5 mmu 
C18.H7.N21.O6.P1.S3.Cl1.		33.0	774.9476	+0.4 mmu 
C20.H19.N7.O16.P1.S3.Cl1.		22.0	774.9477	+0.3 mmu 
C30.H12.N9.O6.F1.P1.S3.Cl1.		36.0	774.9483	-0.3 mmu 
C14.H12.N17.O11.F1.P1.S3.Cl1.		24.0	774.9474	+0.6 mmu 
C39.H9.N7.F2.P1.S3.Cl1.		45.0	774.9476	+0.4 mmu 
C24.H5.N19.O1.F2.P1.S3.Cl1.		38.0	774.9481	-0.1 mmu 
C26.H17.N5.O11.F2.P1.S3.Cl1.		27.0	774.9481	-0.1 mmu 
C11.H13.N17.O12.F2.P1.S3.Cl1.		20.0	774.9486	-0.6 mmu 
C36.H10.N7.O1.F3.P1.S3.Cl1.		41.0	774.9487	-0.7 mmu 
C35.H14.N3.O5.F3.P1.S3.Cl1.		36.0	774.9474	+0.6 mmu 
C20.H10.N15.O6.F3.P1.S3.Cl1.		29.0	774.9479	+0.1 mmu 
C22.H22.N1.O16.F3.P1.S3.Cl1.		18.0	774.9479	+0.1 mmu 
C14.H3.N25.O1.F4.P1.S3.Cl1.		31.0	774.9477	+0.3 mmu 
C32.H15.N3.O6.F4.P1.S3.Cl1.		32.0	774.9485	-0.5 mmu 
C16.H15.N11.O11.F4.P1.S3.Cl1.		20.0	774.9477	+0.3 mmu 
C41.H12.N1.F5.P1.S3.Cl1.		41.0	774.9478	+0.2 mmu 
C26.H8.N13.O1.F5.P1.S3.Cl1.		34.0	774.9483	-0.3 mmu 
C22.H13.N9.O6.F6.P1.S3.Cl1.		25.0	774.9481	-0.1 mmu 
C31.H10.N7.F7.P1.S3.Cl1.		34.0	774.9474	+0.6 mmu 
C16.H6.N19.O1.F7.P1.S3.Cl1.		27.0	774.9479	+0.1 mmu 
C18.H18.N5.O11.F7.P1.S3.Cl1.		16.0	774.9479	+0.1 mmu 
C28.H11.N7.O1.F8.P1.S3.Cl1.		30.0	774.9486	-0.6 mmu 
C12.H11.N15.O6.F8.P1.S3.Cl1.		18.0	774.9477	+0.3 mmu 
C14.H23.N1.O16.F8.P1.S3.Cl1.		7.0	774.9477	+0.3 mmu 
C24.H16.N3.O6.F9.P1.S3.Cl1.		21.0	774.9484	-0.4 mmu 
C33.H13.N1.F10.P1.S3.Cl1.		30.0	774.9477	+0.3 mmu 
C18.H9.N13.O1.F10.P1.S3.Cl1.		23.0	774.9482	-0.2 mmu 
C14.H14.N9.O6.F11.P1.S3.Cl1.		14.0	774.9480	+0.0 mmu 
C23.H11.N7.F12.P1.S3.Cl1.		23.0	774.9473	+0.7 mmu 
C10.H19.N5.O11.F12.P1.S3.Cl1.		5.0	774.9478	+0.2 mmu 
C28.H8.N17.P2.S3.Cl1.		42.0	774.9474	+0.6 mmu 
C30.H20.N3.O10.P2.S3.Cl1.		31.0	774.9475	+0.5 mmu 
C15.H16.N15.O11.P2.S3.Cl1.		24.0	774.9480	+0.0 mmu 
C40.H13.N5.F1.P2.S3.Cl1.		45.0	774.9481	-0.1 mmu 
C25.H9.N17.O1.F1.P2.S3.Cl1.		38.0	774.9486	-0.6 mmu 
C24.H13.N13.O5.F1.P2.S3.Cl1.		33.0	774.9473	+0.7 mmu 
C27.H21.N3.O11.F1.P2.S3.Cl1.		27.0	774.9486	-0.6 mmu 
C36.H18.N1.O5.F2.P2.S3.Cl1.		36.0	774.9479	+0.1 mmu 
C21.H14.N13.O6.F2.P2.S3.Cl1.		29.0	774.9484	-0.4 mmu 
C30.H11.N11.F3.P2.S3.Cl1.		38.0	774.9477	+0.3 mmu 
C15.H7.N23.O1.F3.P2.S3.Cl1.		31.0	774.9482	-0.2 mmu 
C17.H19.N9.O11.F3.P2.S3.Cl1.		20.0	774.9482	-0.2 mmu 
C26.H16.N7.O5.F4.P2.S3.Cl1.		29.0	774.9475	+0.5 mmu 
C11.H12.N19.O6.F4.P2.S3.Cl1.		22.0	774.9480	+0.0 mmu 
C20.H9.N17.F5.P2.S3.Cl1.		31.0	774.9473	+0.7 mmu 
C23.H17.N7.O6.F5.P2.S3.Cl1.		25.0	774.9486	-0.6 mmu 
C22.H21.N3.O10.F5.P2.S3.Cl1.		20.0	774.9473	+0.7 mmu 
C32.H14.N5.F6.P2.S3.Cl1.		34.0	774.9479	+0.1 mmu 
C17.H10.N17.O1.F6.P2.S3.Cl1.		27.0	774.9484	-0.4 mmu 
C19.H22.N3.O11.F6.P2.S3.Cl1.		16.0	774.9484	-0.4 mmu 
C28.H19.N1.O5.F7.P2.S3.Cl1.		25.0	774.9477	+0.3 mmu 
C13.H15.N13.O6.F7.P2.S3.Cl1.		18.0	774.9482	-0.2 mmu 
C22.H12.N11.F8.P2.S3.Cl1.		27.0	774.9475	+0.5 mmu 
C19.H13.N11.O1.F9.P2.S3.Cl1.		23.0	774.9487	-0.7 mmu 
C18.H17.N7.O5.F9.P2.S3.Cl1.		18.0	774.9473	+0.7 mmu 
C15.H18.N7.O6.F10.P2.S3.Cl1.		14.0	774.9485	-0.5 mmu 
C24.H15.N5.F11.P2.S3.Cl1.		23.0	774.9478	+0.2 mmu 
C9.H11.N17.O1.F11.P2.S3.Cl1.		16.0	774.9483	-0.3 mmu 
C11.H23.N3.O11.F11.P2.S3.Cl1.		5.0	774.9483	-0.3 mmu 
C20.H20.N1.O5.F12.P2.S3.Cl1.		14.0	774.9476	+0.4 mmu 
C41.H17.N3.P3.S3.Cl1.		45.0	774.9486	-0.6 mmu 
C25.H17.N11.O5.P3.S3.Cl1.		33.0	774.9478	+0.2 mmu 
C19.H10.N21.F1.P3.S3.Cl1.		35.0	774.9476	+0.4 mmu 
C21.H22.N7.O10.F1.P3.S3.Cl1.		24.0	774.9476	+0.4 mmu 
C31.H15.N9.F2.P3.S3.Cl1.		38.0	774.9482	-0.2 mmu 
C16.H11.N21.O1.F2.P3.S3.Cl1.		31.0	774.9487	-0.7 mmu 
C15.H15.N17.O5.F2.P3.S3.Cl1.		26.0	774.9474	+0.6 mmu 
C18.H23.N7.O11.F2.P3.S3.Cl1.		20.0	774.9487	-0.7 mmu 
C17.H27.N3.O15.F2.P3.S3.Cl1.		15.0	774.9474	+0.6 mmu 
C27.H20.N5.O5.F3.P3.S3.Cl1.		29.0	774.9480	-0.0 mmu 
C12.H16.N17.O6.F3.P3.S3.Cl1.		22.0	774.9485	-0.5 mmu 
C14.H28.N3.O16.F3.P3.S3.Cl1.		11.0	774.9485	-0.5 mmu 
C21.H13.N15.F4.P3.S3.Cl1.		31.0	774.9478	+0.2 mmu 
C23.H25.N1.O10.F4.P3.S3.Cl1.		20.0	774.9478	+0.2 mmu 
C33.H18.N3.F5.P3.S3.Cl1.		34.0	774.9484	-0.4 mmu 
C17.H18.N11.O5.F5.P3.S3.Cl1.		22.0	774.9476	+0.4 mmu 
C11.H11.N21.F6.P3.S3.Cl1.		24.0	774.9474	+0.6 mmu 
C14.H19.N11.O6.F6.P3.S3.Cl1.		18.0	774.9487	-0.7 mmu 
C13.H23.N7.O10.F6.P3.S3.Cl1.		13.0	774.9474	+0.6 mmu 
C23.H16.N9.F7.P3.S3.Cl1.		27.0	774.9480	-0.0 mmu 
C10.H24.N7.O11.F7.P3.S3.Cl1.		9.0	774.9486	-0.6 mmu 
C19.H21.N5.O5.F8.P3.S3.Cl1.		18.0	774.9478	+0.2 mmu 
C13.H14.N15.F9.P3.S3.Cl1.		20.0	774.9476	+0.4 mmu 
C15.H26.N1.O10.F9.P3.S3.Cl1.		9.0	774.9476	+0.4 mmu 
C25.H19.N3.F10.P3.S3.Cl1.		23.0	774.9483	-0.3 mmu 
C15.H17.N9.F12.P3.S3.Cl1.		16.0	774.9479	+0.1 mmu 
C20.H14.N19.P4.S3.Cl1.		35.0	774.9481	-0.1 mmu 
C22.H26.N5.O10.P4.S3.Cl1.		24.0	774.9481	-0.1 mmu 
C32.H19.N7.F1.P4.S3.Cl1.		38.0	774.9487	-0.7 mmu 
C31.H23.N3.O4.F1.P4.S3.Cl1.		33.0	774.9474	+0.6 mmu 
C16.H19.N15.O5.F1.P4.S3.Cl1.		26.0	774.9479	+0.1 mmu 
C18.H31.N1.O15.F1.P4.S3.Cl1.		15.0	774.9479	+0.1 mmu 
C28.H24.N3.O5.F2.P4.S3.Cl1.		29.0	774.9485	-0.5 mmu 
C22.H17.N13.F3.P4.S3.Cl1.		31.0	774.9483	-0.3 mmu 
C18.H22.N9.O5.F4.P4.S3.Cl1.		22.0	774.9481	-0.1 mmu 
C14.H27.N5.O10.F5.P4.S3.Cl1.		13.0	774.9479	+0.1 mmu 
C24.H20.N7.F6.P4.S3.Cl1.		27.0	774.9485	-0.5 mmu 
C20.H25.N3.O5.F7.P4.S3.Cl1.		18.0	774.9484	-0.4 mmu 
C14.H18.N13.F8.P4.S3.Cl1.		20.0	774.9481	-0.1 mmu 
C16.H21.N7.F11.P4.S3.Cl1.		16.0	774.9484	-0.4 mmu 
C32.H27.N1.O4.P5.S3.Cl1.		33.0	774.9479	+0.1 mmu 
C17.H23.N13.O5.P5.S3.Cl1.		26.0	774.9484	-0.4 mmu 
C22.H25.N7.O4.F2.P5.S3.Cl1.		26.0	774.9475	+0.5 mmu 
C19.H26.N7.O5.F3.P5.S3.Cl1.		22.0	774.9486	-0.6 mmu 
C18.H30.N3.O9.F3.P5.S3.Cl1.		17.0	774.9473	+0.7 mmu 
C24.H28.N1.O4.F5.P5.S3.Cl1.		22.0	774.9477	+0.3 mmu 
C16.H29.N1.O4.F10.P5.S3.Cl1.		11.0	774.9476	+0.4 mmu 
C23.H29.N5.O4.F1.P6.S3.Cl1.		26.0	774.9480	+0.0 mmu 
C19.H34.N1.O9.F2.P6.S3.Cl1.		17.0	774.9478	+0.2 mmu 
C24.H33.N3.O4.P7.S3.Cl1.		26.0	774.9485	-0.5 mmu 
C31.H14.N7.O8.S4.Cl1.		36.0	774.9475	+0.5 mmu 
C16.H10.N19.O9.S4.Cl1.		29.0	774.9480	-0.0 mmu 
C18.H22.N5.O19.S4.Cl1.		18.0	774.9480	-0.0 mmu 
C25.H7.N17.O3.F1.S4.Cl1.		38.0	774.9473	+0.7 mmu 
C28.H15.N7.O9.F1.S4.Cl1.		32.0	774.9487	-0.7 mmu 
C27.H19.N3.O13.F1.S4.Cl1.		27.0	774.9473	+0.7 mmu 
C12.H15.N15.O14.F1.S4.Cl1.		20.0	774.9478	+0.2 mmu 
C37.H12.N5.O3.F2.S4.Cl1.		41.0	774.9480	+0.0 mmu 
C22.H8.N17.O4.F2.S4.Cl1.		34.0	774.9485	-0.5 mmu 
C24.H20.N3.O14.F2.S4.Cl1.		23.0	774.9485	-0.5 mmu 
C33.H17.N1.O8.F3.S4.Cl1.		32.0	774.9478	+0.2 mmu 
C18.H13.N13.O9.F3.S4.Cl1.		25.0	774.9483	-0.3 mmu 
C27.H10.N11.O3.F4.S4.Cl1.		34.0	774.9476	+0.4 mmu 
C12.H6.N23.O4.F4.S4.Cl1.		27.0	774.9481	-0.1 mmu 
C14.H18.N9.O14.F4.S4.Cl1.		16.0	774.9481	-0.1 mmu 
C24.H11.N11.O4.F5.S4.Cl1.		30.0	774.9487	-0.7 mmu 
C23.H15.N7.O8.F5.S4.Cl1.		25.0	774.9474	+0.6 mmu 
C20.H16.N7.O9.F6.S4.Cl1.		21.0	774.9485	-0.5 mmu 
C29.H13.N5.O3.F7.S4.Cl1.		30.0	774.9478	+0.2 mmu 
C14.H9.N17.O4.F7.S4.Cl1.		23.0	774.9483	-0.3 mmu 
C16.H21.N3.O14.F7.S4.Cl1.		12.0	774.9483	-0.3 mmu 
C25.H18.N1.O8.F8.S4.Cl1.		21.0	774.9476	+0.4 mmu 
C10.H14.N13.O9.F8.S4.Cl1.		14.0	774.9481	-0.1 mmu 
C19.H11.N11.O3.F9.S4.Cl1.		23.0	774.9474	+0.6 mmu 
C22.H19.N1.O9.F9.S4.Cl1.		17.0	774.9487	-0.7 mmu 
C16.H12.N11.O4.F10.S4.Cl1.		19.0	774.9485	-0.5 mmu 
C12.H17.N7.O9.F11.S4.Cl1.		10.0	774.9483	-0.3 mmu 
C21.H14.N5.O3.F12.S4.Cl1.		19.0	774.9476	+0.4 mmu 
C41.H15.N3.O2.P1.S4.Cl1.		45.0	774.9473	+0.7 mmu 
C26.H11.N15.O3.P1.S4.Cl1.		38.0	774.9478	+0.2 mmu 
C28.H23.N1.O13.P1.S4.Cl1.		27.0	774.9478	+0.2 mmu 
C13.H19.N13.O14.P1.S4.Cl1.		20.0	774.9483	-0.3 mmu 
C38.H16.N3.O3.F1.P1.S4.Cl1.		41.0	774.9485	-0.5 mmu 
C22.H16.N11.O8.F1.P1.S4.Cl1.		29.0	774.9476	+0.4 mmu 
C16.H9.N21.O3.F2.P1.S4.Cl1.		31.0	774.9474	+0.6 mmu 
C19.H17.N11.O9.F2.P1.S4.Cl1.		25.0	774.9488	-0.8 mmu 
C18.H21.N7.O13.F2.P1.S4.Cl1.		20.0	774.9474	+0.6 mmu 
C28.H14.N9.O3.F3.P1.S4.Cl1.		34.0	774.9481	-0.1 mmu 
C13.H10.N21.O4.F3.P1.S4.Cl1.		27.0	774.9486	-0.6 mmu 
C12.H14.N17.O8.F3.P1.S4.Cl1.		22.0	774.9472	+0.8 mmu 
C15.H22.N7.O14.F3.P1.S4.Cl1.		16.0	774.9486	-0.6 mmu 
C24.H19.N5.O8.F4.P1.S4.Cl1.		25.0	774.9479	+0.1 mmu 
C9.H15.N17.O9.F4.P1.S4.Cl1.		18.0	774.9484	-0.4 mmu 
C18.H12.N15.O3.F5.P1.S4.Cl1.		27.0	774.9477	+0.3 mmu 
C20.H24.N1.O13.F5.P1.S4.Cl1.		16.0	774.9477	+0.3 mmu 
C30.H17.N3.O3.F6.P1.S4.Cl1.		30.0	774.9483	-0.3 mmu 
C14.H17.N11.O8.F6.P1.S4.Cl1.		18.0	774.9475	+0.5 mmu 
C11.H18.N11.O9.F7.P1.S4.Cl1.		14.0	774.9486	-0.6 mmu 
C20.H15.N9.O3.F8.P1.S4.Cl1.		23.0	774.9479	+0.1 mmu 
C16.H20.N5.O8.F9.P1.S4.Cl1.		14.0	774.9477	+0.3 mmu 
C10.H13.N15.O3.F10.P1.S4.Cl1.		16.0	774.9475	+0.5 mmu 
C12.H25.N1.O13.F10.P1.S4.Cl1.		5.0	774.9475	+0.5 mmu 
C22.H18.N3.O3.F11.P1.S4.Cl1.		19.0	774.9481	-0.1 mmu 
C23.H20.N9.O8.P2.S4.Cl1.		29.0	774.9481	-0.1 mmu 
C32.H17.N7.O2.F1.P2.S4.Cl1.		38.0	774.9474	+0.6 mmu 
C17.H13.N19.O3.F1.P2.S4.Cl1.		31.0	774.9479	+0.1 mmu 
C19.H25.N5.O13.F1.P2.S4.Cl1.		20.0	774.9479	+0.1 mmu 
C29.H18.N7.O3.F2.P2.S4.Cl1.		34.0	774.9486	-0.6 mmu 
C28.H22.N3.O7.F2.P2.S4.Cl1.		29.0	774.9472	+0.8 mmu 
C13.H18.N15.O8.F2.P2.S4.Cl1.		22.0	774.9477	+0.3 mmu 
C15.H30.N1.O18.F2.P2.S4.Cl1.		11.0	774.9478	+0.2 mmu 
C25.H23.N3.O8.F3.P2.S4.Cl1.		25.0	774.9484	-0.4 mmu 
C34.H20.N1.O2.F4.P2.S4.Cl1.		34.0	774.9477	+0.3 mmu 
C19.H16.N13.O3.F4.P2.S4.Cl1.		27.0	774.9482	-0.2 mmu 
C15.H21.N9.O8.F5.P2.S4.Cl1.		18.0	774.9480	+0.0 mmu 
C24.H18.N7.O2.F6.P2.S4.Cl1.		27.0	774.9473	+0.7 mmu 
C11.H26.N5.O13.F6.P2.S4.Cl1.		9.0	774.9478	+0.2 mmu 
C21.H19.N7.O3.F7.P2.S4.Cl1.		23.0	774.9484	-0.4 mmu 
C17.H24.N3.O8.F8.P2.S4.Cl1.		14.0	774.9482	-0.2 mmu 
C26.H21.N1.O2.F9.P2.S4.Cl1.		23.0	774.9475	+0.5 mmu 
C11.H17.N13.O3.F9.P2.S4.Cl1.		16.0	774.9480	-0.0 mmu 
C23.H22.N1.O3.F10.P2.S4.Cl1.		19.0	774.9487	-0.7 mmu 
C13.H20.N7.O3.F12.P2.S4.Cl1.		12.0	774.9483	-0.3 mmu 
C33.H21.N5.O2.P3.S4.Cl1.		38.0	774.9479	+0.1 mmu 
C18.H17.N17.O3.P3.S4.Cl1.		31.0	774.9484	-0.4 mmu 
C20.H29.N3.O13.P3.S4.Cl1.		20.0	774.9485	-0.5 mmu 
C29.H26.N1.O7.F1.P3.S4.Cl1.		29.0	774.9478	+0.2 mmu 
C14.H22.N13.O8.F1.P3.S4.Cl1.		22.0	774.9483	-0.3 mmu 
C23.H19.N11.O2.F2.P3.S4.Cl1.		31.0	774.9475	+0.5 mmu 
C20.H20.N11.O3.F3.P3.S4.Cl1.		27.0	774.9487	-0.7 mmu 
C19.H24.N7.O7.F3.P3.S4.Cl1.		22.0	774.9474	+0.6 mmu 
C16.H25.N7.O8.F4.P3.S4.Cl1.		18.0	774.9485	-0.5 mmu 
C25.H22.N5.O2.F5.P3.S4.Cl1.		27.0	774.9478	+0.2 mmu 
C10.H18.N17.O3.F5.P3.S4.Cl1.		20.0	774.9483	-0.3 mmu 
C12.H30.N3.O13.F5.P3.S4.Cl1.		9.0	774.9483	-0.3 mmu 
C21.H27.N1.O7.F6.P3.S4.Cl1.		18.0	774.9476	+0.4 mmu 
C15.H20.N11.O2.F7.P3.S4.Cl1.		20.0	774.9474	+0.6 mmu 
C18.H28.N1.O8.F7.P3.S4.Cl1.		14.0	774.9487	-0.7 mmu 
C12.H21.N11.O3.F8.P3.S4.Cl1.		16.0	774.9485	-0.5 mmu 
C17.H23.N5.O2.F10.P3.S4.Cl1.		16.0	774.9476	+0.4 mmu 
C14.H24.N5.O3.F11.P3.S4.Cl1.		12.0	774.9488	-0.8 mmu 
C13.H28.N1.O7.F11.P3.S4.Cl1.		7.0	774.9474	+0.6 mmu 
C10.H29.N1.O8.F12.P3.S4.Cl1.		3.0	774.9486	-0.6 mmu 
C16.H33.N1.O12.F3.P4.S4.Cl1.		13.0	774.9477	+0.3 mmu 
C26.H26.N3.O2.F4.P4.S4.Cl1.		27.0	774.9483	-0.3 mmu 
C18.H27.N3.O2.F9.P4.S4.Cl1.		16.0	774.9481	-0.1 mmu 
C24.H31.N3.O6.P5.S4.Cl1.		26.0	774.9472	+0.8 mmu 
C21.H32.N3.O7.F1.P5.S4.Cl1.		22.0	774.9484	-0.4 mmu 
C30.H29.N1.O1.F2.P5.S4.Cl1.		31.0	774.9477	+0.3 mmu 
C22.H30.N1.O1.F7.P5.S4.Cl1.		20.0	774.9475	+0.5 mmu 
C19.H31.N1.O2.F8.P5.S4.Cl1.		16.0	774.9486	-0.6 mmu 
C22.H35.N3.O1.F2.P7.S4.Cl1.		24.0	774.9483	-0.3 mmu 
C26.H38.N1.P8.S4.Cl1.		28.0	774.9477	+0.3 mmu 
C39.H18.N1.O5.S5.Cl1.		41.0	774.9477	+0.3 mmu 
C24.H14.N13.O6.S5.Cl1.		34.0	774.9482	-0.2 mmu 
C33.H11.N11.F1.S5.Cl1.		43.0	774.9475	+0.5 mmu 
C18.H7.N23.O1.F1.S5.Cl1.		36.0	774.9480	-0.0 mmu 
C20.H19.N9.O11.F1.S5.Cl1.		25.0	774.9480	-0.0 mmu 
C30.H12.N11.O1.F2.S5.Cl1.		39.0	774.9486	-0.6 mmu 
C29.H16.N7.O5.F2.S5.Cl1.		34.0	774.9473	+0.7 mmu 
C14.H12.N19.O6.F2.S5.Cl1.		27.0	774.9478	+0.2 mmu 
C16.H24.N5.O16.F2.S5.Cl1.		16.0	774.9478	+0.2 mmu 
C26.H17.N7.O6.F3.S5.Cl1.		30.0	774.9484	-0.4 mmu 
C10.H17.N15.O11.F3.S5.Cl1.		18.0	774.9476	+0.4 mmu 
C35.H14.N5.F4.S5.Cl1.		39.0	774.9477	+0.3 mmu 
C20.H10.N17.O1.F4.S5.Cl1.		32.0	774.9482	-0.2 mmu 
C22.H22.N3.O11.F4.S5.Cl1.		21.0	774.9483	-0.3 mmu 
C31.H19.N1.O5.F5.S5.Cl1.		30.0	774.9475	+0.5 mmu 
C16.H15.N13.O6.F5.S5.Cl1.		23.0	774.9480	-0.0 mmu 
C25.H12.N11.F6.S5.Cl1.		32.0	774.9473	+0.7 mmu 
C28.H20.N1.O6.F6.S5.Cl1.		26.0	774.9487	-0.7 mmu 
C12.H20.N9.O11.F6.S5.Cl1.		14.0	774.9479	+0.1 mmu 
C22.H13.N11.O1.F7.S5.Cl1.		28.0	774.9485	-0.5 mmu 
C18.H18.N7.O6.F8.S5.Cl1.		19.0	774.9483	-0.3 mmu 
C27.H15.N5.F9.S5.Cl1.		28.0	774.9476	+0.4 mmu 
C12.H11.N17.O1.F9.S5.Cl1.		21.0	774.9481	-0.1 mmu 
C14.H23.N3.O11.F9.S5.Cl1.		10.0	774.9481	-0.1 mmu 
C24.H16.N5.O1.F10.S5.Cl1.		24.0	774.9487	-0.7 mmu 
C23.H20.N1.O5.F10.S5.Cl1.		19.0	774.9474	+0.6 mmu 
C8.H16.N13.O6.F10.S5.Cl1.		12.0	774.9479	+0.1 mmu 
C20.H21.N1.O6.F11.S5.Cl1.		15.0	774.9485	-0.5 mmu 
C14.H14.N11.O1.F12.S5.Cl1.		17.0	774.9483	-0.3 mmu 
C34.H15.N9.P1.S5.Cl1.		43.0	774.9480	-0.0 mmu 
C19.H11.N21.O1.P1.S5.Cl1.		36.0	774.9485	-0.5 mmu 
C21.H23.N7.O11.P1.S5.Cl1.		25.0	774.9485	-0.5 mmu 
C30.H20.N5.O5.F1.P1.S5.Cl1.		34.0	774.9478	+0.2 mmu 
C15.H16.N17.O6.F1.P1.S5.Cl1.		27.0	774.9483	-0.3 mmu 
C17.H28.N3.O16.F1.P1.S5.Cl1.		16.0	774.9483	-0.3 mmu 
C24.H13.N15.F2.P1.S5.Cl1.		36.0	774.9476	+0.4 mmu 
C26.H25.N1.O10.F2.P1.S5.Cl1.		25.0	774.9476	+0.4 mmu 
C11.H21.N13.O11.F2.P1.S5.Cl1.		18.0	774.9481	-0.1 mmu 
C36.H18.N3.F3.P1.S5.Cl1.		39.0	774.9482	-0.2 mmu 
C21.H14.N15.O1.F3.P1.S5.Cl1.		32.0	774.9488	-0.8 mmu 
C20.H18.N11.O5.F3.P1.S5.Cl1.		27.0	774.9474	+0.6 mmu 
C23.H26.N1.O11.F3.P1.S5.Cl1.		21.0	774.9488	-0.8 mmu 
C17.H19.N11.O6.F4.P1.S5.Cl1.		23.0	774.9486	-0.6 mmu 
C26.H16.N9.F5.P1.S5.Cl1.		32.0	774.9479	+0.1 mmu 
C11.H12.N21.O1.F5.P1.S5.Cl1.		25.0	774.9484	-0.4 mmu 
C13.H24.N7.O11.F5.P1.S5.Cl1.		14.0	774.9484	-0.4 mmu 
C22.H21.N5.O5.F6.P1.S5.Cl1.		23.0	774.9477	+0.3 mmu 
C16.H14.N15.F7.P1.S5.Cl1.		25.0	774.9475	+0.5 mmu 
C18.H26.N1.O10.F7.P1.S5.Cl1.		14.0	774.9475	+0.5 mmu 
C28.H19.N3.F8.P1.S5.Cl1.		28.0	774.9481	-0.1 mmu 
C13.H15.N15.O1.F8.P1.S5.Cl1.		21.0	774.9486	-0.6 mmu 
C12.H19.N11.O5.F8.P1.S5.Cl1.		16.0	774.9473	+0.7 mmu 
C15.H27.N1.O11.F8.P1.S5.Cl1.		10.0	774.9486	-0.6 mmu 
C9.H20.N11.O6.F9.P1.S5.Cl1.		12.0	774.9484	-0.4 mmu 
C18.H17.N9.F10.P1.S5.Cl1.		21.0	774.9477	+0.3 mmu 
C14.H22.N5.O5.F11.P1.S5.Cl1.		12.0	774.9475	+0.5 mmu 
C8.H15.N15.F12.P1.S5.Cl1.		14.0	774.9473	+0.7 mmu 
C11.H23.N5.O6.F12.P1.S5.Cl1.		8.0	774.9486	-0.6 mmu 
C10.H27.N1.O10.F12.P1.S5.Cl1.		3.0	774.9473	+0.7 mmu 
C13.H12.N25.P2.S5.Cl1.		33.0	774.9475	+0.5 mmu 
C31.H24.N3.O5.P2.S5.Cl1.		34.0	774.9483	-0.3 mmu 
C15.H24.N11.O10.P2.S5.Cl1.		22.0	774.9475	+0.5 mmu 
C25.H17.N13.F1.P2.S5.Cl1.		36.0	774.9481	-0.1 mmu 
C12.H25.N11.O11.F1.P2.S5.Cl1.		18.0	774.9486	-0.6 mmu 
C37.H22.N1.F2.P2.S5.Cl1.		39.0	774.9488	-0.8 mmu 
C21.H22.N9.O5.F2.P2.S5.Cl1.		27.0	774.9479	+0.1 mmu 
C15.H15.N19.F3.P2.S5.Cl1.		29.0	774.9477	+0.3 mmu 
C17.H27.N5.O10.F3.P2.S5.Cl1.		18.0	774.9477	+0.3 mmu 
C27.H20.N7.F4.P2.S5.Cl1.		32.0	774.9484	-0.4 mmu 
C11.H20.N15.O5.F4.P2.S5.Cl1.		20.0	774.9475	+0.5 mmu 
C13.H32.N1.O15.F4.P2.S5.Cl1.		9.0	774.9475	+0.5 mmu 
C23.H25.N3.O5.F5.P2.S5.Cl1.		23.0	774.9482	-0.2 mmu 
C8.H21.N15.O6.F5.P2.S5.Cl1.		16.0	774.9487	-0.7 mmu 
C17.H18.N13.F6.P2.S5.Cl1.		25.0	774.9480	+0.0 mmu 
C29.H23.N1.F7.P2.S5.Cl1.		28.0	774.9486	-0.6 mmu 
C13.H23.N9.O5.F7.P2.S5.Cl1.		16.0	774.9478	+0.2 mmu 
C19.H21.N7.F9.P2.S5.Cl1.		21.0	774.9482	-0.2 mmu 
C15.H26.N3.O5.F10.P2.S5.Cl1.		12.0	774.9480	-0.0 mmu 
C9.H19.N13.F11.P2.S5.Cl1.		14.0	774.9478	+0.2 mmu 
C21.H24.N1.F12.P2.S5.Cl1.		17.0	774.9484	-0.4 mmu 
C26.H21.N11.P3.S5.Cl1.		36.0	774.9486	-0.6 mmu 
C25.H25.N7.O4.P3.S5.Cl1.		31.0	774.9473	+0.7 mmu 
C10.H21.N19.O5.P3.S5.Cl1.		24.0	774.9478	+0.2 mmu 
C22.H26.N7.O5.F1.P3.S5.Cl1.		27.0	774.9484	-0.4 mmu 
C16.H19.N17.F2.P3.S5.Cl1.		29.0	774.9482	-0.2 mmu 
C18.H31.N3.O10.F2.P3.S5.Cl1.		18.0	774.9482	-0.2 mmu 
C27.H28.N1.O4.F3.P3.S5.Cl1.		27.0	774.9475	+0.5 mmu 
C12.H24.N13.O5.F3.P3.S5.Cl1.		20.0	774.9480	-0.0 mmu 
C24.H29.N1.O5.F4.P3.S5.Cl1.		23.0	774.9487	-0.7 mmu 
C18.H22.N11.F5.P3.S5.Cl1.		25.0	774.9485	-0.5 mmu 
C14.H27.N7.O5.F6.P3.S5.Cl1.		16.0	774.9483	-0.3 mmu 
C20.H25.N5.F8.P3.S5.Cl1.		21.0	774.9487	-0.7 mmu 
C19.H29.N1.O4.F8.P3.S5.Cl1.		16.0	774.9474	+0.6 mmu 
C16.H30.N1.O5.F9.P3.S5.Cl1.		12.0	774.9485	-0.5 mmu 
C10.H23.N11.F10.P3.S5.Cl1.		14.0	774.9483	-0.3 mmu 
C22.H34.N1.O9.P4.S5.Cl1.		22.0	774.9476	+0.4 mmu 
C19.H35.N1.O10.F1.P4.S5.Cl1.		18.0	774.9488	-0.8 mmu 
C14.H35.N1.O9.F5.P4.S5.Cl1.		11.0	774.9474	+0.6 mmu 
C19.H34.N3.O4.F3.P5.S5.Cl1.		20.0	774.9482	-0.2 mmu 
C23.H37.N1.O3.F1.P6.S5.Cl1.		24.0	774.9475	+0.5 mmu 
C20.H38.N1.O4.F2.P6.S5.Cl1.		20.0	774.9487	-0.7 mmu 
C32.H18.N7.O3.S6.Cl1.		39.0	774.9484	-0.4 mmu 
C16.H18.N15.O8.S6.Cl1.		27.0	774.9476	+0.4 mmu 
C18.H30.N1.O18.S6.Cl1.		16.0	774.9476	+0.4 mmu 
C28.H23.N3.O8.F1.S6.Cl1.		30.0	774.9482	-0.2 mmu 
C13.H19.N15.O9.F1.S6.Cl1.		23.0	774.9487	-0.7 mmu 
C12.H23.N11.O13.F1.S6.Cl1.		18.0	774.9474	+0.6 mmu 
C37.H20.N1.O2.F2.S6.Cl1.		39.0	774.9475	+0.5 mmu 
C22.H16.N13.O3.F2.S6.Cl1.		32.0	774.9480	+0.0 mmu 
C34.H21.N1.O3.F3.S6.Cl1.		35.0	774.9486	-0.6 mmu 
C18.H21.N9.O8.F3.S6.Cl1.		23.0	774.9478	+0.2 mmu 
C12.H14.N19.O3.F4.S6.Cl1.		25.0	774.9476	+0.4 mmu 
C14.H26.N5.O13.F4.S6.Cl1.		14.0	774.9476	+0.4 mmu 
C24.H19.N7.O3.F5.S6.Cl1.		28.0	774.9482	-0.2 mmu 
C20.H24.N3.O8.F6.S6.Cl1.		19.0	774.9480	-0.0 mmu 
C29.H21.N1.O2.F7.S6.Cl1.		28.0	774.9473	+0.7 mmu 
C14.H17.N13.O3.F7.S6.Cl1.		21.0	774.9478	+0.2 mmu 
C26.H22.N1.O3.F8.S6.Cl1.		24.0	774.9485	-0.5 mmu 
C10.H22.N9.O8.F8.S6.Cl1.		12.0	774.9476	+0.4 mmu 
C16.H20.N7.O3.F10.S6.Cl1.		17.0	774.9481	-0.1 mmu 
C12.H25.N3.O8.F11.S6.Cl1.		8.0	774.9479	+0.1 mmu 
C26.H19.N11.O2.P1.S6.Cl1.		36.0	774.9474	+0.6 mmu 
C29.H27.N1.O8.P1.S6.Cl1.		30.0	774.9487	-0.7 mmu 
C13.H27.N9.O13.P1.S6.Cl1.		18.0	774.9479	+0.1 mmu 
C23.H20.N11.O3.F1.P1.S6.Cl1.		32.0	774.9485	-0.5 mmu 
C19.H25.N7.O8.F2.P1.S6.Cl1.		23.0	774.9483	-0.3 mmu 
C28.H22.N5.O2.F3.P1.S6.Cl1.		32.0	774.9476	+0.4 mmu 
C13.H18.N17.O3.F3.P1.S6.Cl1.		25.0	774.9481	-0.1 mmu 
C15.H30.N3.O13.F3.P1.S6.Cl1.		14.0	774.9481	-0.1 mmu 
C25.H23.N5.O3.F4.P1.S6.Cl1.		28.0	774.9487	-0.7 mmu 
C24.H27.N1.O7.F4.P1.S6.Cl1.		23.0	774.9474	+0.6 mmu 
C21.H28.N1.O8.F5.P1.S6.Cl1.		19.0	774.9485	-0.5 mmu 
C15.H21.N11.O3.F6.P1.S6.Cl1.		21.0	774.9483	-0.3 mmu 
C11.H26.N7.O8.F7.P1.S6.Cl1.		12.0	774.9481	-0.1 mmu 
C20.H23.N5.O2.F8.P1.S6.Cl1.		21.0	774.9474	+0.6 mmu 
C17.H24.N5.O3.F9.P1.S6.Cl1.		17.0	774.9486	-0.6 mmu 
C16.H28.N1.O7.F9.P1.S6.Cl1.		12.0	774.9472	+0.8 mmu 
C13.H29.N1.O8.F10.P1.S6.Cl1.		8.0	774.9484	-0.4 mmu 
C23.H28.N5.O7.P2.S6.Cl1.		27.0	774.9477	+0.3 mmu 
C17.H21.N15.O2.F1.P2.S6.Cl1.		29.0	774.9475	+0.5 mmu 
C19.H33.N1.O12.F1.P2.S6.Cl1.		18.0	774.9475	+0.5 mmu 
C29.H26.N3.O2.F2.P2.S6.Cl1.		32.0	774.9481	-0.1 mmu 
C14.H22.N15.O3.F2.P2.S6.Cl1.		25.0	774.9486	-0.6 mmu 
C13.H26.N11.O7.F2.P2.S6.Cl1.		20.0	774.9473	+0.7 mmu 
C16.H34.N1.O13.F2.P2.S6.Cl1.		14.0	774.9486	-0.6 mmu 
C10.H27.N11.O8.F3.P2.S6.Cl1.		16.0	774.9484	-0.4 mmu 
C19.H24.N9.O2.F4.P2.S6.Cl1.		25.0	774.9477	+0.3 mmu 
C15.H29.N5.O7.F5.P2.S6.Cl1.		16.0	774.9475	+0.5 mmu 
C12.H30.N5.O8.F6.P2.S6.Cl1.		12.0	774.9487	-0.7 mmu 
C21.H27.N3.O2.F7.P2.S6.Cl1.		21.0	774.9479	+0.1 mmu 
C11.H25.N9.O2.F9.P2.S6.Cl1.		14.0	774.9475	+0.5 mmu 
C13.H28.N3.O2.F12.P2.S6.Cl1.		10.0	774.9478	+0.2 mmu 
C33.H29.N1.O1.P3.S6.Cl1.		36.0	774.9475	+0.5 mmu 
C18.H25.N13.O2.P3.S6.Cl1.		29.0	774.9480	+0.0 mmu 
C30.H30.N1.O2.F1.P3.S6.Cl1.		32.0	774.9486	-0.6 mmu 
C14.H30.N9.O7.F1.P3.S6.Cl1.		20.0	774.9478	+0.2 mmu 
C20.H28.N7.O2.F3.P3.S6.Cl1.		25.0	774.9482	-0.2 mmu 
C16.H33.N3.O7.F4.P3.S6.Cl1.		16.0	774.9480	-0.0 mmu 
C25.H30.N1.O1.F5.P3.S6.Cl1.		25.0	774.9473	+0.7 mmu 
C10.H26.N13.O2.F5.P3.S6.Cl1.		18.0	774.9478	+0.2 mmu 
C22.H31.N1.O2.F6.P3.S6.Cl1.		21.0	774.9485	-0.5 mmu 
C12.H29.N7.O2.F8.P3.S6.Cl1.		14.0	774.9481	-0.1 mmu 
C14.H32.N1.O2.F11.P3.S6.Cl1.		10.0	774.9483	-0.3 mmu 
C20.H36.N1.O6.F2.P4.S6.Cl1.		20.0	774.9474	+0.6 mmu 
C17.H37.N1.O7.F3.P4.S6.Cl1.		16.0	774.9485	-0.5 mmu 
C25.H35.N3.O1.P5.S6.Cl1.		29.0	774.9481	-0.1 mmu 
C17.H36.N3.O1.F5.P5.S6.Cl1.		18.0	774.9479	+0.1 mmu 
C21.H39.N1.F3.P6.S6.Cl1.		22.0	774.9473	+0.7 mmu 
C40.H22.N1.S7.Cl1.		44.0	774.9486	-0.6 mmu 
C24.H22.N9.O5.S7.Cl1.		32.0	774.9477	+0.3 mmu 
C18.H15.N19.F1.S7.Cl1.		34.0	774.9475	+0.5 mmu 
C20.H27.N5.O10.F1.S7.Cl1.		23.0	774.9475	+0.5 mmu 
C30.H20.N7.F2.S7.Cl1.		37.0	774.9482	-0.2 mmu 
C15.H16.N19.O1.F2.S7.Cl1.		30.0	774.9487	-0.7 mmu 
C14.H20.N15.O5.F2.S7.Cl1.		25.0	774.9473	+0.7 mmu 
C17.H28.N5.O11.F2.S7.Cl1.		19.0	774.9487	-0.7 mmu 
C16.H32.N1.O15.F2.S7.Cl1.		14.0	774.9473	+0.7 mmu 
C26.H25.N3.O5.F3.S7.Cl1.		28.0	774.9480	+0.0 mmu 
C11.H21.N15.O6.F3.S7.Cl1.		21.0	774.9485	-0.5 mmu 
C20.H18.N13.F4.S7.Cl1.		30.0	774.9478	+0.2 mmu 
C32.H23.N1.F5.S7.Cl1.		33.0	774.9484	-0.4 mmu 
C16.H23.N9.O5.F5.S7.Cl1.		21.0	774.9476	+0.4 mmu 
C13.H24.N9.O6.F6.S7.Cl1.		17.0	774.9487	-0.7 mmu 
C12.H28.N5.O10.F6.S7.Cl1.		12.0	774.9474	+0.6 mmu 
C22.H21.N7.F7.S7.Cl1.		26.0	774.9480	-0.0 mmu 
C18.H26.N3.O5.F8.S7.Cl1.		17.0	774.9478	+0.2 mmu 
C12.H19.N13.F9.S7.Cl1.		19.0	774.9476	+0.4 mmu 
C24.H24.N1.F10.S7.Cl1.		22.0	774.9483	-0.3 mmu 
C14.H22.N7.F12.S7.Cl1.		15.0	774.9479	+0.1 mmu 
C19.H19.N17.P1.S7.Cl1.		34.0	774.9480	-0.0 mmu 
C21.H31.N3.O10.P1.S7.Cl1.		23.0	774.9481	-0.1 mmu 
C31.H24.N5.F1.P1.S7.Cl1.		37.0	774.9487	-0.7 mmu 
C30.H28.N1.O4.F1.P1.S7.Cl1.		32.0	774.9473	+0.7 mmu 
C15.H24.N13.O5.F1.P1.S7.Cl1.		25.0	774.9478	+0.2 mmu 
C27.H29.N1.O5.F2.P1.S7.Cl1.		28.0	774.9485	-0.5 mmu 
C11.H29.N9.O10.F2.P1.S7.Cl1.		16.0	774.9477	+0.3 mmu 
C21.H22.N11.F3.P1.S7.Cl1.		30.0	774.9483	-0.3 mmu 
C17.H27.N7.O5.F4.P1.S7.Cl1.		21.0	774.9481	-0.1 mmu 
C11.H20.N17.F5.P1.S7.Cl1.		23.0	774.9479	+0.1 mmu 
C13.H32.N3.O10.F5.P1.S7.Cl1.		12.0	774.9479	+0.1 mmu 
C23.H25.N5.F6.P1.S7.Cl1.		26.0	774.9485	-0.5 mmu 
C19.H30.N1.O5.F7.P1.S7.Cl1.		17.0	774.9483	-0.3 mmu 
C13.H23.N11.F8.P1.S7.Cl1.		19.0	774.9481	-0.1 mmu 
C15.H26.N5.F11.P1.S7.Cl1.		15.0	774.9484	-0.4 mmu 
C11.H31.N1.O5.F12.P1.S7.Cl1.		6.0	774.9482	-0.2 mmu 
C16.H28.N11.O5.P2.S7.Cl1.		25.0	774.9484	-0.4 mmu 
C12.H33.N7.O10.F1.P2.S7.Cl1.		16.0	774.9482	-0.2 mmu 
C21.H30.N5.O4.F2.P2.S7.Cl1.		25.0	774.9475	+0.5 mmu 
C18.H31.N5.O5.F3.P2.S7.Cl1.		21.0	774.9486	-0.6 mmu 
C17.H35.N1.O9.F3.P2.S7.Cl1.		16.0	774.9473	+0.7 mmu 
C12.H24.N15.F4.P2.S7.Cl1.		23.0	774.9484	-0.4 mmu 
C14.H36.N1.O10.F4.P2.S7.Cl1.		12.0	774.9484	-0.4 mmu 
C14.H27.N9.F7.P2.S7.Cl1.		19.0	774.9486	-0.6 mmu 
C13.H31.N5.O4.F7.P2.S7.Cl1.		14.0	774.9473	+0.7 mmu 
C11.H25.N19.P3.S7.Cl1.		27.0	774.9487	-0.7 mmu 
C13.H37.N5.O10.P3.S7.Cl1.		16.0	774.9487	-0.7 mmu 
C22.H34.N3.O4.F1.P3.S7.Cl1.		25.0	774.9480	+0.0 mmu 
C12.H32.N9.O4.F3.P3.S7.Cl1.		18.0	774.9476	+0.4 mmu 
C14.H35.N3.O4.F6.P3.S7.Cl1.		14.0	774.9478	+0.2 mmu 
C23.H38.N1.O4.P4.S7.Cl1.		25.0	774.9485	-0.5 mmu 
C15.H39.N1.O4.F5.P4.S7.Cl1.		14.0	774.9483	-0.3 mmu 
C32.H26.N3.O2.S8.Cl1.		37.0	774.9479	+0.1 mmu 
C17.H22.N15.O3.S8.Cl1.		30.0	774.9484	-0.4 mmu 
C19.H34.N1.O13.S8.Cl1.		19.0	774.9484	-0.4 mmu 
C13.H27.N11.O8.F1.S8.Cl1.		21.0	774.9482	-0.2 mmu 
C22.H24.N9.O2.F2.S8.Cl1.		30.0	774.9475	+0.5 mmu 
C19.H25.N9.O3.F3.S8.Cl1.		26.0	774.9487	-0.7 mmu 
C18.H29.N5.O7.F3.S8.Cl1.		21.0	774.9473	+0.7 mmu 
C15.H30.N5.O8.F4.S8.Cl1.		17.0	774.9485	-0.5 mmu 
C24.H27.N3.O2.F5.S8.Cl1.		26.0	774.9478	+0.2 mmu 
C14.H25.N9.O2.F7.S8.Cl1.		19.0	774.9474	+0.6 mmu 
C16.H28.N3.O2.F10.S8.Cl1.		15.0	774.9476	+0.4 mmu 
C13.H29.N3.O3.F11.S8.Cl1.		11.0	774.9487	-0.7 mmu 
C14.H31.N9.O8.P1.S8.Cl1.		21.0	774.9487	-0.7 mmu 
C13.H35.N5.O12.P1.S8.Cl1.		16.0	774.9474	+0.6 mmu 
C23.H28.N7.O2.F1.P1.S8.Cl1.		30.0	774.9480	-0.0 mmu 
C19.H33.N3.O7.F2.P1.S8.Cl1.		21.0	774.9478	+0.2 mmu 
C13.H26.N13.O2.F3.P1.S8.Cl1.		23.0	774.9476	+0.4 mmu 
C25.H31.N1.O2.F4.P1.S8.Cl1.		26.0	774.9483	-0.3 mmu 
C15.H29.N7.O2.F6.P1.S8.Cl1.		19.0	774.9479	+0.1 mmu 
C17.H32.N1.O2.F9.P1.S8.Cl1.		15.0	774.9481	-0.1 mmu 
C24.H32.N5.O2.P2.S8.Cl1.		30.0	774.9485	-0.5 mmu 
C20.H37.N1.O7.F1.P2.S8.Cl1.		21.0	774.9483	-0.3 mmu 
C14.H30.N11.O2.F2.P2.S8.Cl1.		23.0	774.9481	-0.1 mmu 
C19.H32.N5.O1.F4.P2.S8.Cl1.		23.0	774.9472	+0.8 mmu 
C16.H33.N5.O2.F5.P2.S8.Cl1.		19.0	774.9484	-0.4 mmu 
C18.H33.N9.O1.P3.S8.Cl1.		27.0	774.9475	+0.5 mmu 
C15.H34.N9.O2.F1.P3.S8.Cl1.		23.0	774.9487	-0.7 mmu 
C14.H38.N5.O6.F1.P3.S8.Cl1.		18.0	774.9473	+0.7 mmu 
C20.H36.N3.O1.F3.P3.S8.Cl1.		23.0	774.9478	+0.2 mmu 
C15.H42.N3.O6.P4.S8.Cl1.		18.0	774.9478	+0.2 mmu 
C21.H40.N1.O1.F2.P4.S8.Cl1.		23.0	774.9483	-0.3 mmu 
C25.H26.N9.S9.Cl1.		35.0	774.9486	-0.6 mmu 
C24.H30.N5.O4.S9.Cl1.		30.0	774.9473	+0.7 mmu 
C21.H31.N5.O5.F1.S9.Cl1.		26.0	774.9484	-0.4 mmu 
C15.H24.N15.F2.S9.Cl1.		28.0	774.9482	-0.2 mmu 
C17.H36.N1.O10.F2.S9.Cl1.		17.0	774.9482	-0.2 mmu 
C17.H27.N9.F5.S9.Cl1.		24.0	774.9484	-0.4 mmu 
C19.H30.N3.F8.S9.Cl1.		20.0	774.9487	-0.7 mmu 
C16.H28.N13.F1.P1.S9.Cl1.		28.0	774.9487	-0.7 mmu 
C15.H32.N9.O4.F1.P1.S9.Cl1.		23.0	774.9474	+0.6 mmu 
C17.H35.N3.O4.F4.P1.S9.Cl1.		19.0	774.9476	+0.4 mmu 
C14.H36.N3.O5.F5.P1.S9.Cl1.		15.0	774.9488	-0.8 mmu 
C16.H36.N7.O4.P2.S9.Cl1.		23.0	774.9479	+0.1 mmu 
C18.H39.N1.O4.F3.P2.S9.Cl1.		19.0	774.9481	-0.1 mmu 
C17.H30.N11.O2.S10.Cl1.		28.0	774.9480	+0.0 mmu 
C19.H33.N5.O2.F3.S10.Cl1.		24.0	774.9482	-0.2 mmu 
C23.H36.N3.O1.F1.P1.S10.Cl1.		28.0	774.9476	+0.4 mmu 
C20.H37.N3.O2.F2.P1.S10.Cl1.		24.0	774.9487	-0.7 mmu 
C24.H40.N1.O1.P2.S10.Cl1.		28.0	774.9481	-0.1 mmu 
C16.H41.N1.O1.F5.P2.S10.Cl1.		17.0	774.9479	+0.1 mmu 
C16.H46.N3.O1.P4.S10.Cl1.		21.0	774.9487	-0.7 mmu 
C21.H39.N1.O4.F1.S11.Cl1.		24.0	774.9479	+0.1 mmu 
C19.H41.N1.O1.F3.S12.Cl1.		22.0	774.9477	+0.3 mmu 
C28.H11.N5.O18.Cl2.		25.0	774.9476	+0.4 mmu 
C23.N19.O9.F1.Cl2.		32.0	774.9487	-0.7 mmu 
C25.H12.N5.O19.F1.Cl2.		21.0	774.9488	-0.8 mmu 
C24.H16.N1.O23.F1.Cl2.		16.0	774.9474	+0.6 mmu 
C34.H9.N3.O13.F2.Cl2.		30.0	774.9480	-0.0 mmu 
C19.H5.N15.O14.F2.Cl2.		23.0	774.9486	-0.6 mmu 
C21.H17.N1.O24.F2.Cl2.		12.0	774.9486	-0.6 mmu 
C24.H7.N9.O13.F4.Cl2.		23.0	774.9476	+0.4 mmu 
C34.N11.O3.F5.Cl2.		37.0	774.9483	-0.3 mmu 
C18.N19.O8.F5.Cl2.		25.0	774.9474	+0.6 mmu 
C20.H12.N5.O18.F5.Cl2.		14.0	774.9475	+0.5 mmu 
C14.H5.N15.O13.F6.Cl2.		16.0	774.9472	+0.8 mmu 
C17.H13.N5.O19.F6.Cl2.		10.0	774.9486	-0.6 mmu 
C26.H10.N3.O13.F7.Cl2.		19.0	774.9479	+0.1 mmu 
C32.H8.N1.O8.F9.Cl2.		24.0	774.9483	-0.3 mmu 
C16.H8.N9.O13.F9.Cl2.		12.0	774.9475	+0.5 mmu 
C13.H9.N9.O14.F10.Cl2.		8.0	774.9486	-0.6 mmu 
C22.H6.N7.O8.F11.Cl2.		17.0	774.9479	+0.1 mmu 
C18.H11.N3.O13.F12.Cl2.		8.0	774.9477	+0.3 mmu 
C36.N15.O2.P1.Cl2.		45.0	774.9474	+0.6 mmu 
C39.H8.N5.O8.P1.Cl2.		39.0	774.9488	-0.8 mmu 
C38.H12.N1.O12.P1.Cl2.		34.0	774.9474	+0.6 mmu 
C23.H8.N13.O13.P1.Cl2.		27.0	774.9479	+0.1 mmu 
C35.H13.N1.O13.F1.P1.Cl2.		30.0	774.9486	-0.6 mmu 
C19.H13.N9.O18.F1.P1.Cl2.		18.0	774.9477	+0.3 mmu 
C29.H6.N11.O8.F2.P1.Cl2.		32.0	774.9484	-0.4 mmu 
C13.H6.N19.O13.F2.P1.Cl2.		20.0	774.9475	+0.5 mmu 
C25.H11.N7.O13.F3.P1.Cl2.		23.0	774.9482	-0.2 mmu 
C34.H8.N5.O7.F4.P1.Cl2.		32.0	774.9475	+0.5 mmu 
C19.H4.N17.O8.F4.P1.Cl2.		25.0	774.9480	+0.0 mmu 
C21.H16.N3.O18.F4.P1.Cl2.		14.0	774.9480	+0.0 mmu 
C31.H9.N5.O8.F5.P1.Cl2.		28.0	774.9486	-0.6 mmu 
C30.H13.N1.O12.F5.P1.Cl2.		23.0	774.9473	+0.7 mmu 
C15.H9.N13.O13.F5.P1.Cl2.		16.0	774.9478	+0.2 mmu 
C27.H14.N1.O13.F6.P1.Cl2.		19.0	774.9484	-0.4 mmu 
C21.H7.N11.O8.F7.P1.Cl2.		21.0	774.9482	-0.2 mmu 
C15.N21.O3.F8.P1.Cl2.		23.0	774.9480	+0.0 mmu 
C17.H12.N7.O13.F8.P1.Cl2.		12.0	774.9480	-0.0 mmu 
C26.H9.N5.O7.F9.P1.Cl2.		21.0	774.9473	+0.7 mmu 
C11.H5.N17.O8.F9.P1.Cl2.		14.0	774.9478	+0.2 mmu 
C23.H10.N5.O8.F10.P1.Cl2.		17.0	774.9484	-0.4 mmu 
C32.H7.N3.O2.F11.P1.Cl2.		26.0	774.9477	+0.3 mmu 
C19.H15.N1.O13.F11.P1.Cl2.		8.0	774.9482	-0.2 mmu 
C13.H8.N11.O8.F12.P1.Cl2.		10.0	774.9480	-0.0 mmu 
C33.H9.N9.O7.P2.Cl2.		36.0	774.9477	+0.3 mmu 
C18.H5.N21.O8.P2.Cl2.		29.0	774.9482	-0.2 mmu 
C20.H17.N7.O18.P2.Cl2.		18.0	774.9482	-0.2 mmu 
C29.H14.N5.O12.F1.P2.Cl2.		27.0	774.9475	+0.5 mmu 
C14.H10.N17.O13.F1.P2.Cl2.		20.0	774.9480	-0.0 mmu 
C23.H7.N15.O7.F2.P2.Cl2.		29.0	774.9473	+0.7 mmu 
C26.H15.N5.O13.F2.P2.Cl2.		23.0	774.9487	-0.7 mmu 
C25.H19.N1.O17.F2.P2.Cl2.		18.0	774.9473	+0.7 mmu 
C35.H12.N3.O7.F3.P2.Cl2.		32.0	774.9480	+0.0 mmu 
C20.H8.N15.O8.F3.P2.Cl2.		25.0	774.9485	-0.5 mmu 
C22.H20.N1.O18.F3.P2.Cl2.		14.0	774.9485	-0.5 mmu 
C44.H9.N1.O1.F4.P2.Cl2.		41.0	774.9473	+0.7 mmu 
C16.H13.N11.O13.F4.P2.Cl2.		16.0	774.9483	-0.3 mmu 
C41.H10.N1.O2.F5.P2.Cl2.		37.0	774.9484	-0.4 mmu 
C25.H10.N9.O7.F5.P2.Cl2.		25.0	774.9476	+0.4 mmu 
C22.H11.N9.O8.F6.P2.Cl2.		21.0	774.9487	-0.7 mmu 
C21.H15.N5.O12.F6.P2.Cl2.		16.0	774.9474	+0.6 mmu 
C31.H8.N7.O2.F7.P2.Cl2.		30.0	774.9480	+0.0 mmu 
C16.H4.N19.O3.F7.P2.Cl2.		23.0	774.9485	-0.5 mmu 
C18.H16.N5.O13.F7.P2.Cl2.		12.0	774.9485	-0.5 mmu 
C27.H13.N3.O7.F8.P2.Cl2.		21.0	774.9478	+0.2 mmu 
C12.H9.N15.O8.F8.P2.Cl2.		14.0	774.9483	-0.3 mmu 
C21.H6.N13.O2.F9.P2.Cl2.		23.0	774.9476	+0.4 mmu 
C33.H11.N1.O2.F10.P2.Cl2.		26.0	774.9482	-0.2 mmu 
C18.H7.N13.O3.F10.P2.Cl2.		19.0	774.9487	-0.7 mmu 
C17.H11.N9.O7.F10.P2.Cl2.		14.0	774.9474	+0.6 mmu 
C14.H12.N9.O8.F11.P2.Cl2.		10.0	774.9485	-0.5 mmu 
C23.H9.N7.O2.F12.P2.Cl2.		19.0	774.9478	+0.2 mmu 
C43.H10.N5.O1.P3.Cl2.		45.0	774.9475	+0.5 mmu 
C28.H6.N17.O2.P3.Cl2.		38.0	774.9480	-0.0 mmu 
C30.H18.N3.O12.P3.Cl2.		27.0	774.9480	-0.0 mmu 
C15.H14.N15.O13.P3.Cl2.		20.0	774.9485	-0.5 mmu 
C40.H11.N5.O2.F1.P3.Cl2.		41.0	774.9487	-0.7 mmu 
C39.H15.N1.O6.F1.P3.Cl2.		36.0	774.9473	+0.7 mmu 
C24.H11.N13.O7.F1.P3.Cl2.		29.0	774.9478	+0.2 mmu 
C18.H4.N23.O2.F2.P3.Cl2.		31.0	774.9476	+0.4 mmu 
C36.H16.N1.O7.F2.P3.Cl2.		32.0	774.9485	-0.5 mmu 
C20.H16.N9.O12.F2.P3.Cl2.		20.0	774.9476	+0.4 mmu 
C30.H9.N11.O2.F3.P3.Cl2.		34.0	774.9483	-0.3 mmu 
C15.H5.N23.O3.F3.P3.Cl2.		27.0	774.9488	-0.8 mmu 
C14.H9.N19.O7.F3.P3.Cl2.		22.0	774.9474	+0.6 mmu 
C16.H21.N5.O17.F3.P3.Cl2.		11.0	774.9474	+0.6 mmu 
C26.H14.N7.O7.F4.P3.Cl2.		25.0	774.9481	-0.1 mmu 
C11.H10.N19.O8.F4.P3.Cl2.		18.0	774.9486	-0.6 mmu 
C10.H14.N15.O12.F4.P3.Cl2.		13.0	774.9472	+0.8 mmu 
C35.H11.N5.O1.F5.P3.Cl2.		34.0	774.9474	+0.6 mmu 
C20.H7.N17.O2.F5.P3.Cl2.		27.0	774.9479	+0.1 mmu 
C22.H19.N3.O12.F5.P3.Cl2.		16.0	774.9479	+0.1 mmu 
C32.H12.N5.O2.F6.P3.Cl2.		30.0	774.9485	-0.5 mmu 
C16.H12.N13.O7.F6.P3.Cl2.		18.0	774.9477	+0.3 mmu 
C28.H17.N1.O7.F7.P3.Cl2.		21.0	774.9483	-0.3 mmu 
C12.H17.N9.O12.F7.P3.Cl2.		9.0	774.9475	+0.5 mmu 
C22.H10.N11.O2.F8.P3.Cl2.		23.0	774.9481	-0.1 mmu 
C18.H15.N7.O7.F9.P3.Cl2.		14.0	774.9479	+0.1 mmu 
C12.H8.N17.O2.F10.P3.Cl2.		16.0	774.9477	+0.3 mmu 
C14.H20.N3.O12.F10.P3.Cl2.		5.0	774.9477	+0.3 mmu 
C24.H13.N5.O2.F11.P3.Cl2.		19.0	774.9483	-0.3 mmu 
C20.H18.N1.O7.F12.P3.Cl2.		10.0	774.9482	-0.2 mmu 
C25.H15.N11.O7.P4.Cl2.		29.0	774.9483	-0.3 mmu 
C34.H12.N9.O1.F1.P4.Cl2.		38.0	774.9476	+0.4 mmu 
C19.H8.N21.O2.F1.P4.Cl2.		31.0	774.9481	-0.1 mmu 
C21.H20.N7.O12.F1.P4.Cl2.		20.0	774.9481	-0.1 mmu 
C30.H17.N5.O6.F2.P4.Cl2.		29.0	774.9474	+0.6 mmu 
C15.H13.N17.O7.F2.P4.Cl2.		22.0	774.9479	+0.1 mmu 
C17.H25.N3.O17.F2.P4.Cl2.		11.0	774.9480	+0.0 mmu 
C24.H10.N15.O1.F3.P4.Cl2.		31.0	774.9472	+0.8 mmu 
C27.H18.N5.O7.F3.P4.Cl2.		25.0	774.9486	-0.6 mmu 
C26.H22.N1.O11.F3.P4.Cl2.		20.0	774.9472	+0.8 mmu 
C36.H15.N3.O1.F4.P4.Cl2.		34.0	774.9479	+0.1 mmu 
C21.H11.N15.O2.F4.P4.Cl2.		27.0	774.9484	-0.4 mmu 
C23.H23.N1.O12.F4.P4.Cl2.		16.0	774.9484	-0.4 mmu 
C17.H16.N11.O7.F5.P4.Cl2.		18.0	774.9482	-0.2 mmu 
C26.H13.N9.O1.F6.P4.Cl2.		27.0	774.9475	+0.5 mmu 
C13.H21.N7.O12.F6.P4.Cl2.		9.0	774.9480	+0.0 mmu 
C23.H14.N9.O2.F7.P4.Cl2.		23.0	774.9486	-0.6 mmu 
C22.H18.N5.O6.F7.P4.Cl2.		18.0	774.9473	+0.7 mmu 
C19.H19.N5.O7.F8.P4.Cl2.		14.0	774.9484	-0.4 mmu 
C28.H16.N3.O1.F9.P4.Cl2.		23.0	774.9477	+0.3 mmu 
C13.H12.N15.O2.F9.P4.Cl2.		16.0	774.9482	-0.2 mmu 
C15.H24.N1.O12.F9.P4.Cl2.		5.0	774.9482	-0.2 mmu 
C18.H14.N9.O1.F11.P4.Cl2.		16.0	774.9473	+0.7 mmu 
C15.H15.N9.O2.F12.P4.Cl2.		12.0	774.9485	-0.5 mmu 
C35.H16.N7.O1.P5.Cl2.		38.0	774.9481	-0.1 mmu 
C20.H12.N19.O2.P5.Cl2.		31.0	774.9486	-0.6 mmu 
C19.H16.N15.O6.P5.Cl2.		26.0	774.9473	+0.7 mmu 
C22.H24.N5.O12.P5.Cl2.		20.0	774.9487	-0.7 mmu 
C21.H28.N1.O16.P5.Cl2.		15.0	774.9473	+0.7 mmu 
C31.H21.N3.O6.F1.P5.Cl2.		29.0	774.9480	+0.0 mmu 
C16.H17.N15.O7.F1.P5.Cl2.		22.0	774.9485	-0.5 mmu 
C18.H29.N1.O17.F1.P5.Cl2.		11.0	774.9485	-0.5 mmu 
C40.H18.N1.F2.P5.Cl2.		38.0	774.9472	+0.8 mmu 
C25.H14.N13.O1.F2.P5.Cl2.		31.0	774.9477	+0.3 mmu 
C37.H19.N1.O1.F3.P5.Cl2.		34.0	774.9484	-0.4 mmu 
C21.H19.N9.O6.F3.P5.Cl2.		22.0	774.9476	+0.4 mmu 
C18.H20.N9.O7.F4.P5.Cl2.		18.0	774.9487	-0.7 mmu 
C17.H24.N5.O11.F4.P5.Cl2.		13.0	774.9474	+0.6 mmu 
C27.H17.N7.O1.F5.P5.Cl2.		27.0	774.9480	+0.0 mmu 
C23.H22.N3.O6.F6.P5.Cl2.		18.0	774.9478	+0.2 mmu 
C17.H15.N13.O1.F7.P5.Cl2.		20.0	774.9476	+0.4 mmu 
C29.H20.N1.O1.F8.P5.Cl2.		23.0	774.9482	-0.2 mmu 
C19.H18.N7.O1.F10.P5.Cl2.		16.0	774.9478	+0.2 mmu 
C32.H25.N1.O6.P6.Cl2.		29.0	774.9485	-0.5 mmu 
C26.H18.N11.O1.F1.P6.Cl2.		31.0	774.9483	-0.3 mmu 
C22.H23.N7.O6.F2.P6.Cl2.		22.0	774.9481	-0.1 mmu 
C31.H20.N5.F3.P6.Cl2.		31.0	774.9474	+0.6 mmu 
C28.H21.N5.O1.F4.P6.Cl2.		27.0	774.9485	-0.5 mmu 
C24.H26.N1.O6.F5.P6.Cl2.		18.0	774.9483	-0.3 mmu 
C20.H22.N5.O1.F9.P6.Cl2.		16.0	774.9483	-0.3 mmu 
C27.H22.N9.O1.P7.Cl2.		31.0	774.9488	-0.8 mmu 
C26.H26.N5.O5.P7.Cl2.		26.0	774.9474	+0.6 mmu 
C23.H27.N5.O6.F1.P7.Cl2.		22.0	774.9486	-0.6 mmu 
C22.H31.N1.O10.F1.P7.Cl2.		17.0	774.9472	+0.8 mmu 
C32.H24.N3.F2.P7.Cl2.		31.0	774.9479	+0.1 mmu 
C22.H22.N9.F4.P7.Cl2.		24.0	774.9475	+0.5 mmu 
C24.H25.N3.F7.P7.Cl2.		20.0	774.9477	+0.3 mmu 
C33.H28.N1.F1.P8.Cl2.		31.0	774.9484	-0.4 mmu 
C25.H29.N1.F6.P8.Cl2.		20.0	774.9482	-0.2 mmu 
C21.H11.N11.O16.S1.Cl2.		23.0	774.9483	-0.3 mmu 
C30.H8.N9.O10.F1.S1.Cl2.		32.0	774.9476	+0.4 mmu 
C15.H4.N21.O11.F1.S1.Cl2.		25.0	774.9481	-0.1 mmu 
C27.H9.N9.O11.F2.S1.Cl2.		28.0	774.9487	-0.7 mmu 
C26.H13.N5.O15.F2.S1.Cl2.		23.0	774.9474	+0.6 mmu 
C23.H14.N5.O16.F3.S1.Cl2.		19.0	774.9485	-0.5 mmu 
C32.H11.N3.O10.F4.S1.Cl2.		28.0	774.9478	+0.2 mmu 
C17.H7.N15.O11.F4.S1.Cl2.		21.0	774.9483	-0.3 mmu 
C19.H19.N1.O21.F4.S1.Cl2.		10.0	774.9483	-0.3 mmu 
C38.H9.N1.O5.F6.S1.Cl2.		33.0	774.9483	-0.3 mmu 
C23.H5.N13.O6.F6.S1.Cl2.		26.0	774.9488	-0.8 mmu 
C22.H9.N9.O10.F6.S1.Cl2.		21.0	774.9474	+0.6 mmu 
C19.H10.N9.O11.F7.S1.Cl2.		17.0	774.9486	-0.6 mmu 
C18.H14.N5.O15.F7.S1.Cl2.		12.0	774.9472	+0.8 mmu 
C28.H7.N7.O5.F8.S1.Cl2.		26.0	774.9479	+0.1 mmu 
C13.H3.N19.O6.F8.S1.Cl2.		19.0	774.9484	-0.4 mmu 
C15.H15.N5.O16.F8.S1.Cl2.		8.0	774.9484	-0.4 mmu 
C22.N17.F9.S1.Cl2.		28.0	774.9477	+0.3 mmu 
C24.H12.N3.O10.F9.S1.Cl2.		17.0	774.9477	+0.3 mmu 
C18.H5.N13.O5.F10.S1.Cl2.		19.0	774.9475	+0.5 mmu 
C30.H10.N1.O5.F11.S1.Cl2.		22.0	774.9481	-0.1 mmu 
C15.H6.N13.O6.F11.S1.Cl2.		15.0	774.9486	-0.6 mmu 
C14.H10.N9.O10.F11.S1.Cl2.		10.0	774.9473	+0.7 mmu 
C11.H11.N9.O11.F12.S1.Cl2.		6.0	774.9484	-0.4 mmu 
C29.N21.P1.S1.Cl2.		43.0	774.9481	-0.1 mmu 
C31.H12.N7.O10.P1.S1.Cl2.		32.0	774.9481	-0.1 mmu 
C16.H8.N19.O11.P1.S1.Cl2.		25.0	774.9486	-0.6 mmu 
C15.H12.N15.O15.P1.S1.Cl2.		20.0	774.9473	+0.7 mmu 
C18.H20.N5.O21.P1.S1.Cl2.		14.0	774.9486	-0.6 mmu 
C40.H9.N5.O4.F1.P1.S1.Cl2.		41.0	774.9474	+0.6 mmu 
C25.H5.N17.O5.F1.P1.S1.Cl2.		34.0	774.9479	+0.1 mmu 
C27.H17.N3.O15.F1.P1.S1.Cl2.		23.0	774.9479	+0.1 mmu 
C37.H10.N5.O5.F2.P1.S1.Cl2.		37.0	774.9485	-0.5 mmu 
C21.H10.N13.O10.F2.P1.S1.Cl2.		25.0	774.9477	+0.3 mmu 
C15.H3.N23.O5.F3.P1.S1.Cl2.		27.0	774.9475	+0.5 mmu 
C33.H15.N1.O10.F3.P1.S1.Cl2.		28.0	774.9483	-0.3 mmu 
C17.H15.N9.O15.F3.P1.S1.Cl2.		16.0	774.9475	+0.5 mmu 
C27.H8.N11.O5.F4.P1.S1.Cl2.		30.0	774.9481	-0.1 mmu 
C12.H4.N23.O6.F4.P1.S1.Cl2.		23.0	774.9486	-0.6 mmu 
C11.H8.N19.O10.F4.P1.S1.Cl2.		18.0	774.9473	+0.7 mmu 
C14.H16.N9.O16.F4.P1.S1.Cl2.		12.0	774.9487	-0.7 mmu 
C23.H13.N7.O10.F5.P1.S1.Cl2.		21.0	774.9479	+0.1 mmu 
C32.H10.N5.O4.F6.P1.S1.Cl2.		30.0	774.9472	+0.8 mmu 
C17.H6.N17.O5.F6.P1.S1.Cl2.		23.0	774.9477	+0.3 mmu 
C19.H18.N3.O15.F6.P1.S1.Cl2.		12.0	774.9477	+0.3 mmu 
C29.H11.N5.O5.F7.P1.S1.Cl2.		26.0	774.9484	-0.4 mmu 
C13.H11.N13.O10.F7.P1.S1.Cl2.		14.0	774.9475	+0.5 mmu 
C25.H16.N1.O10.F8.P1.S1.Cl2.		17.0	774.9482	-0.2 mmu 
C10.H12.N13.O11.F8.P1.S1.Cl2.		10.0	774.9487	-0.7 mmu 
C19.H9.N11.O5.F9.P1.S1.Cl2.		19.0	774.9480	+0.0 mmu 
C15.H14.N7.O10.F10.P1.S1.Cl2.		10.0	774.9478	+0.2 mmu 
C25.H7.N9.F11.P1.S1.Cl2.		24.0	774.9484	-0.4 mmu 
C9.H7.N17.O5.F11.P1.S1.Cl2.		12.0	774.9476	+0.4 mmu 
C21.H12.N5.O5.F12.P1.S1.Cl2.		15.0	774.9482	-0.2 mmu 
C41.H13.N3.O4.P2.S1.Cl2.		41.0	774.9479	+0.1 mmu 
C26.H9.N15.O5.P2.S1.Cl2.		34.0	774.9484	-0.4 mmu 
C28.H21.N1.O15.P2.S1.Cl2.		23.0	774.9484	-0.4 mmu 
C22.H14.N11.O10.F1.P2.S1.Cl2.		25.0	774.9482	-0.2 mmu 
C31.H11.N9.O4.F2.P2.S1.Cl2.		34.0	774.9475	+0.5 mmu 
C16.H7.N21.O5.F2.P2.S1.Cl2.		27.0	774.9480	-0.0 mmu 
C18.H19.N7.O15.F2.P2.S1.Cl2.		16.0	774.9480	-0.0 mmu 
C28.H12.N9.O5.F3.P2.S1.Cl2.		30.0	774.9486	-0.6 mmu 
C27.H16.N5.O9.F3.P2.S1.Cl2.		25.0	774.9473	+0.7 mmu 
C12.H12.N17.O10.F3.P2.S1.Cl2.		18.0	774.9478	+0.2 mmu 
C22.H5.N19.F4.P2.S1.Cl2.		32.0	774.9484	-0.4 mmu 
C24.H17.N5.O10.F4.P2.S1.Cl2.		21.0	774.9485	-0.5 mmu 
C33.H14.N3.O4.F5.P2.S1.Cl2.		30.0	774.9477	+0.3 mmu 
C18.H10.N15.O5.F5.P2.S1.Cl2.		23.0	774.9482	-0.2 mmu 
C20.H22.N1.O15.F5.P2.S1.Cl2.		12.0	774.9483	-0.3 mmu 
C14.H15.N11.O10.F6.P2.S1.Cl2.		14.0	774.9481	-0.1 mmu 
C24.H8.N13.F7.P2.S1.Cl2.		28.0	774.9487	-0.7 mmu 
C23.H12.N9.O4.F7.P2.S1.Cl2.		23.0	774.9473	+0.7 mmu 
C20.H13.N9.O5.F8.P2.S1.Cl2.		19.0	774.9485	-0.5 mmu 
C14.H6.N19.F9.P2.S1.Cl2.		21.0	774.9483	-0.3 mmu 
C16.H18.N5.O10.F9.P2.S1.Cl2.		10.0	774.9483	-0.3 mmu 
C25.H15.N3.O4.F10.P2.S1.Cl2.		19.0	774.9476	+0.4 mmu 
C10.H11.N15.O5.F10.P2.S1.Cl2.		12.0	774.9481	-0.1 mmu 
C22.H16.N3.O5.F11.P2.S1.Cl2.		15.0	774.9487	-0.7 mmu 
C16.H9.N13.F12.P2.S1.Cl2.		17.0	774.9485	-0.5 mmu 
C21.H6.N23.P3.S1.Cl2.		36.0	774.9487	-0.7 mmu 
C20.H10.N19.O4.P3.S1.Cl2.		31.0	774.9474	+0.6 mmu 
C23.H18.N9.O10.P3.S1.Cl2.		25.0	774.9487	-0.7 mmu 
C22.H22.N5.O14.P3.S1.Cl2.		20.0	774.9474	+0.6 mmu 
C32.H15.N7.O4.F1.P3.S1.Cl2.		34.0	774.9480	-0.0 mmu 
C17.H11.N19.O5.F1.P3.S1.Cl2.		27.0	774.9485	-0.5 mmu 
C19.H23.N5.O15.F1.P3.S1.Cl2.		16.0	774.9485	-0.5 mmu 
C28.H20.N3.O9.F2.P3.S1.Cl2.		25.0	774.9478	+0.2 mmu 
C13.H16.N15.O10.F2.P3.S1.Cl2.		18.0	774.9483	-0.3 mmu 
C22.H13.N13.O4.F3.P3.S1.Cl2.		27.0	774.9476	+0.4 mmu 
C34.H18.N1.O4.F4.P3.S1.Cl2.		30.0	774.9483	-0.3 mmu 
C19.H14.N13.O5.F4.P3.S1.Cl2.		23.0	774.9488	-0.8 mmu 
C18.H18.N9.O9.F4.P3.S1.Cl2.		18.0	774.9474	+0.6 mmu 
C13.H7.N23.F5.P3.S1.Cl2.		25.0	774.9486	-0.6 mmu 
C15.H19.N9.O10.F5.P3.S1.Cl2.		14.0	774.9486	-0.6 mmu 
C14.H23.N5.O14.F5.P3.S1.Cl2.		9.0	774.9472	+0.8 mmu 
C24.H16.N7.O4.F6.P3.S1.Cl2.		23.0	774.9479	+0.1 mmu 
C20.H21.N3.O9.F7.P3.S1.Cl2.		14.0	774.9477	+0.3 mmu 
C14.H14.N13.O4.F8.P3.S1.Cl2.		16.0	774.9475	+0.5 mmu 
C26.H19.N1.O4.F9.P3.S1.Cl2.		19.0	774.9481	-0.1 mmu 
C11.H15.N13.O5.F9.P3.S1.Cl2.		12.0	774.9486	-0.6 mmu 
C10.H19.N9.O9.F9.P3.S1.Cl2.		7.0	774.9473	+0.7 mmu 
C16.H17.N7.O4.F11.P3.S1.Cl2.		12.0	774.9477	+0.3 mmu 
C12.H22.N3.O9.F12.P3.S1.Cl2.		3.0	774.9475	+0.5 mmu 
C33.H19.N5.O4.P4.S1.Cl2.		34.0	774.9485	-0.5 mmu 
C17.H19.N13.O9.P4.S1.Cl2.		22.0	774.9477	+0.3 mmu 
C29.H24.N1.O9.F1.P4.S1.Cl2.		25.0	774.9483	-0.3 mmu 
C13.H24.N9.O14.F1.P4.S1.Cl2.		13.0	774.9475	+0.5 mmu 
C23.H17.N11.O4.F2.P4.S1.Cl2.		27.0	774.9481	-0.1 mmu 
C19.H22.N7.O9.F3.P4.S1.Cl2.		18.0	774.9479	+0.1 mmu 
C13.H15.N17.O4.F4.P4.S1.Cl2.		20.0	774.9477	+0.3 mmu 
C15.H27.N3.O14.F4.P4.S1.Cl2.		9.0	774.9477	+0.3 mmu 
C25.H20.N5.O4.F5.P4.S1.Cl2.		23.0	774.9484	-0.4 mmu 
C21.H25.N1.O9.F6.P4.S1.Cl2.		14.0	774.9482	-0.2 mmu 
C15.H18.N11.O4.F7.P4.S1.Cl2.		16.0	774.9480	+0.0 mmu 
C17.H21.N5.O4.F10.P4.S1.Cl2.		12.0	774.9482	-0.2 mmu 
C13.H26.N1.O9.F11.P4.S1.Cl2.		3.0	774.9480	-0.0 mmu 
C27.H20.N9.O3.P5.S1.Cl2.		31.0	774.9475	+0.5 mmu 
C24.H21.N9.O4.F1.P5.S1.Cl2.		27.0	774.9486	-0.6 mmu 
C23.H25.N5.O8.F1.P5.S1.Cl2.		22.0	774.9473	+0.7 mmu 
C20.H26.N5.O9.F2.P5.S1.Cl2.		18.0	774.9484	-0.4 mmu 
C29.H23.N3.O3.F3.P5.S1.Cl2.		27.0	774.9477	+0.3 mmu 
C16.H31.N1.O14.F3.P5.S1.Cl2.		9.0	774.9482	-0.2 mmu 
C19.H21.N9.O3.F5.P5.S1.Cl2.		20.0	774.9473	+0.7 mmu 
C16.H22.N9.O4.F6.P5.S1.Cl2.		16.0	774.9485	-0.5 mmu 
C21.H24.N3.O3.F8.P5.S1.Cl2.		16.0	774.9476	+0.4 mmu 
C18.H25.N3.O4.F9.P5.S1.Cl2.		12.0	774.9487	-0.7 mmu 
C24.H29.N3.O8.P6.S1.Cl2.		22.0	774.9478	+0.2 mmu 
C30.H27.N1.O3.F2.P6.S1.Cl2.		27.0	774.9482	-0.2 mmu 
C20.H25.N7.O3.F4.P6.S1.Cl2.		20.0	774.9478	+0.2 mmu 
C22.H28.N1.O3.F7.P6.S1.Cl2.		16.0	774.9481	-0.1 mmu 
C25.H32.N3.O2.F1.P8.S1.Cl2.		24.0	774.9477	+0.3 mmu 
C29.H15.N5.O13.S2.Cl2.		28.0	774.9485	-0.5 mmu 
C38.H12.N3.O7.F1.S2.Cl2.		37.0	774.9478	+0.2 mmu 
C23.H8.N15.O8.F1.S2.Cl2.		30.0	774.9483	-0.3 mmu 
C25.H20.N1.O18.F1.S2.Cl2.		19.0	774.9483	-0.3 mmu 
C19.H13.N11.O13.F2.S2.Cl2.		21.0	774.9481	-0.1 mmu 
C44.H10.N1.O2.F3.S2.Cl2.		42.0	774.9482	-0.2 mmu 
C29.H6.N13.O3.F3.S2.Cl2.		35.0	774.9487	-0.7 mmu 
C28.H10.N9.O7.F3.S2.Cl2.		30.0	774.9474	+0.6 mmu 
C13.H6.N21.O8.F3.S2.Cl2.		23.0	774.9479	+0.1 mmu 
C15.H18.N7.O18.F3.S2.Cl2.		12.0	774.9479	+0.1 mmu 
C25.H11.N9.O8.F4.S2.Cl2.		26.0	774.9485	-0.5 mmu 
C34.H8.N7.O2.F5.S2.Cl2.		35.0	774.9478	+0.2 mmu 
C19.H4.N19.O3.F5.S2.Cl2.		28.0	774.9483	-0.3 mmu 
C21.H16.N5.O13.F5.S2.Cl2.		17.0	774.9483	-0.3 mmu 
C30.H13.N3.O7.F6.S2.Cl2.		26.0	774.9476	+0.4 mmu 
C15.H9.N15.O8.F6.S2.Cl2.		19.0	774.9481	-0.1 mmu 
C17.H21.N1.O18.F6.S2.Cl2.		8.0	774.9481	-0.1 mmu 
C24.H6.N13.O2.F7.S2.Cl2.		28.0	774.9474	+0.6 mmu 
C27.H14.N3.O8.F7.S2.Cl2.		22.0	774.9488	-0.8 mmu 
C11.H14.N11.O13.F7.S2.Cl2.		10.0	774.9479	+0.1 mmu 
C36.H11.N1.O2.F8.S2.Cl2.		31.0	774.9481	-0.1 mmu 
C21.H7.N13.O3.F8.S2.Cl2.		24.0	774.9486	-0.6 mmu 
C17.H12.N9.O8.F9.S2.Cl2.		15.0	774.9484	-0.4 mmu 
C26.H9.N7.O2.F10.S2.Cl2.		24.0	774.9477	+0.3 mmu 
C11.H5.N19.O3.F10.S2.Cl2.		17.0	774.9482	-0.2 mmu 
C13.H17.N5.O13.F10.S2.Cl2.		6.0	774.9482	-0.2 mmu 
C22.H14.N3.O7.F11.S2.Cl2.		15.0	774.9475	+0.5 mmu 
C16.H7.N13.O2.F12.S2.Cl2.		17.0	774.9473	+0.7 mmu 
C19.H15.N3.O8.F12.S2.Cl2.		11.0	774.9486	-0.6 mmu 
C39.H16.N1.O7.P1.S2.Cl2.		37.0	774.9483	-0.3 mmu 
C23.H16.N9.O12.P1.S2.Cl2.		25.0	774.9475	+0.5 mmu 
C33.H9.N11.O2.F1.P1.S2.Cl2.		39.0	774.9481	-0.1 mmu 
C18.H5.N23.O3.F1.P1.S2.Cl2.		32.0	774.9486	-0.6 mmu 
C17.H9.N19.O7.F1.P1.S2.Cl2.		27.0	774.9472	+0.8 mmu 
C20.H17.N9.O13.F1.P1.S2.Cl2.		21.0	774.9486	-0.6 mmu 
C19.H21.N5.O17.F1.P1.S2.Cl2.		16.0	774.9473	+0.7 mmu 
C29.H14.N7.O7.F2.P1.S2.Cl2.		30.0	774.9479	+0.1 mmu 
C14.H10.N19.O8.F2.P1.S2.Cl2.		23.0	774.9484	-0.4 mmu 
C16.H22.N5.O18.F2.P1.S2.Cl2.		12.0	774.9484	-0.4 mmu 
C23.H7.N17.O2.F3.P1.S2.Cl2.		32.0	774.9477	+0.3 mmu 
C25.H19.N3.O12.F3.P1.S2.Cl2.		21.0	774.9477	+0.3 mmu 
C35.H12.N5.O2.F4.P1.S2.Cl2.		35.0	774.9483	-0.3 mmu 
C19.H12.N13.O7.F4.P1.S2.Cl2.		23.0	774.9475	+0.5 mmu 
C13.H5.N23.O2.F5.P1.S2.Cl2.		25.0	774.9473	+0.7 mmu 
C31.H17.N1.O7.F5.P1.S2.Cl2.		26.0	774.9481	-0.1 mmu 
C16.H13.N13.O8.F5.P1.S2.Cl2.		19.0	774.9486	-0.6 mmu 
C15.H17.N9.O12.F5.P1.S2.Cl2.		14.0	774.9473	+0.7 mmu 
C25.H10.N11.O2.F6.P1.S2.Cl2.		28.0	774.9479	+0.1 mmu 
C12.H18.N9.O13.F6.P1.S2.Cl2.		10.0	774.9484	-0.4 mmu 
C21.H15.N7.O7.F7.P1.S2.Cl2.		19.0	774.9477	+0.3 mmu 
C15.H8.N17.O2.F8.P1.S2.Cl2.		21.0	774.9475	+0.5 mmu 
C17.H20.N3.O12.F8.P1.S2.Cl2.		10.0	774.9475	+0.5 mmu 
C27.H13.N5.O2.F9.P1.S2.Cl2.		24.0	774.9482	-0.2 mmu 
C12.H9.N17.O3.F9.P1.S2.Cl2.		17.0	774.9487	-0.7 mmu 
C11.H13.N13.O7.F9.P1.S2.Cl2.		12.0	774.9473	+0.7 mmu 
C14.H21.N3.O13.F9.P1.S2.Cl2.		6.0	774.9487	-0.7 mmu 
C23.H18.N1.O7.F10.P1.S2.Cl2.		15.0	774.9480	+0.0 mmu 
C8.H14.N13.O8.F10.P1.S2.Cl2.		8.0	774.9485	-0.5 mmu 
C17.H11.N11.O2.F11.P1.S2.Cl2.		17.0	774.9478	+0.2 mmu 
C13.H16.N7.O7.F12.P1.S2.Cl2.		8.0	774.9476	+0.4 mmu 
C34.H13.N9.O2.P2.S2.Cl2.		39.0	774.9486	-0.6 mmu 
C33.H17.N5.O6.P2.S2.Cl2.		34.0	774.9473	+0.7 mmu 
C18.H13.N17.O7.P2.S2.Cl2.		27.0	774.9478	+0.2 mmu 
C20.H25.N3.O17.P2.S2.Cl2.		16.0	774.9478	+0.2 mmu 
C30.H18.N5.O7.F1.P2.S2.Cl2.		30.0	774.9484	-0.4 mmu 
C14.H18.N13.O12.F1.P2.S2.Cl2.		18.0	774.9476	+0.4 mmu 
C39.H15.N3.O1.F2.P2.S2.Cl2.		39.0	774.9477	+0.3 mmu 
C24.H11.N15.O2.F2.P2.S2.Cl2.		32.0	774.9482	-0.2 mmu 
C26.H23.N1.O12.F2.P2.S2.Cl2.		21.0	774.9482	-0.2 mmu 
C11.H19.N13.O13.F2.P2.S2.Cl2.		14.0	774.9487	-0.7 mmu 
C20.H16.N11.O7.F3.P2.S2.Cl2.		23.0	774.9480	+0.0 mmu 
C29.H13.N9.O1.F4.P2.S2.Cl2.		32.0	774.9473	+0.7 mmu 
C14.H9.N21.O2.F4.P2.S2.Cl2.		25.0	774.9478	+0.2 mmu 
C16.H21.N7.O12.F4.P2.S2.Cl2.		14.0	774.9478	+0.2 mmu 
C26.H14.N9.O2.F5.P2.S2.Cl2.		28.0	774.9484	-0.4 mmu 
C10.H14.N17.O7.F5.P2.S2.Cl2.		16.0	774.9476	+0.4 mmu 
C22.H19.N5.O7.F6.P2.S2.Cl2.		19.0	774.9482	-0.2 mmu 
C31.H16.N3.O1.F7.P2.S2.Cl2.		28.0	774.9475	+0.5 mmu 
C16.H12.N15.O2.F7.P2.S2.Cl2.		21.0	774.9480	-0.0 mmu 
C18.H24.N1.O12.F7.P2.S2.Cl2.		10.0	774.9480	-0.0 mmu 
C28.H17.N3.O2.F8.P2.S2.Cl2.		24.0	774.9487	-0.7 mmu 
C12.H17.N11.O7.F8.P2.S2.Cl2.		12.0	774.9478	+0.2 mmu 
C18.H15.N9.O2.F10.P2.S2.Cl2.		17.0	774.9483	-0.3 mmu 
C14.H20.N5.O7.F11.P2.S2.Cl2.		8.0	774.9481	-0.1 mmu 
C23.H17.N3.O1.F12.P2.S2.Cl2.		17.0	774.9474	+0.6 mmu 
C8.H13.N15.O2.F12.P2.S2.Cl2.		10.0	774.9479	+0.1 mmu 
C28.H14.N13.O1.P3.S2.Cl2.		36.0	774.9476	+0.4 mmu 
C13.H10.N25.O2.P3.S2.Cl2.		29.0	774.9481	-0.1 mmu 
C15.H22.N11.O12.P3.S2.Cl2.		18.0	774.9481	-0.1 mmu 
C40.H19.N1.O1.F1.P3.S2.Cl2.		39.0	774.9482	-0.2 mmu 
C25.H15.N13.O2.F1.P3.S2.Cl2.		32.0	774.9487	-0.7 mmu 
C24.H19.N9.O6.F1.P3.S2.Cl2.		27.0	774.9474	+0.6 mmu 
C21.H20.N9.O7.F2.P3.S2.Cl2.		23.0	774.9485	-0.5 mmu 
C30.H17.N7.O1.F3.P3.S2.Cl2.		32.0	774.9478	+0.2 mmu 
C15.H13.N19.O2.F3.P3.S2.Cl2.		25.0	774.9483	-0.3 mmu 
C17.H25.N5.O12.F3.P3.S2.Cl2.		14.0	774.9483	-0.3 mmu 
C26.H22.N3.O6.F4.P3.S2.Cl2.		23.0	774.9476	+0.4 mmu 
C11.H18.N15.O7.F4.P3.S2.Cl2.		16.0	774.9481	-0.1 mmu 
C20.H15.N13.O1.F5.P3.S2.Cl2.		25.0	774.9474	+0.6 mmu 
C23.H23.N3.O7.F5.P3.S2.Cl2.		19.0	774.9487	-0.7 mmu 
C32.H20.N1.O1.F6.P3.S2.Cl2.		28.0	774.9480	-0.0 mmu 
C17.H16.N13.O2.F6.P3.S2.Cl2.		21.0	774.9485	-0.5 mmu 
C13.H21.N9.O7.F7.P3.S2.Cl2.		12.0	774.9483	-0.3 mmu 
C22.H18.N7.O1.F8.P3.S2.Cl2.		21.0	774.9476	+0.4 mmu 
C18.H23.N3.O6.F9.P3.S2.Cl2.		12.0	774.9474	+0.6 mmu 
C12.H16.N13.O1.F10.P3.S2.Cl2.		14.0	774.9472	+0.8 mmu 
C15.H24.N3.O7.F10.P3.S2.Cl2.		8.0	774.9486	-0.6 mmu 
C24.H21.N1.O1.F11.P3.S2.Cl2.		17.0	774.9479	+0.1 mmu 
C25.H23.N7.O6.P4.S2.Cl2.		27.0	774.9479	+0.1 mmu 
C19.H16.N17.O1.F1.P4.S2.Cl2.		29.0	774.9477	+0.3 mmu 
C21.H28.N3.O11.F1.P4.S2.Cl2.		18.0	774.9477	+0.3 mmu 
C31.H21.N5.O1.F2.P4.S2.Cl2.		32.0	774.9483	-0.3 mmu 
C15.H21.N13.O6.F2.P4.S2.Cl2.		20.0	774.9475	+0.5 mmu 
C27.H26.N1.O6.F3.P4.S2.Cl2.		23.0	774.9481	-0.1 mmu 
C21.H19.N11.O1.F4.P4.S2.Cl2.		25.0	774.9479	+0.1 mmu 
C17.H24.N7.O6.F5.P4.S2.Cl2.		16.0	774.9477	+0.3 mmu 
C13.H29.N3.O11.F6.P4.S2.Cl2.		7.0	774.9475	+0.5 mmu 
C23.H22.N5.O1.F7.P4.S2.Cl2.		21.0	774.9482	-0.2 mmu 
C19.H27.N1.O6.F8.P4.S2.Cl2.		12.0	774.9480	+0.0 mmu 
C13.H20.N11.O1.F9.P4.S2.Cl2.		14.0	774.9478	+0.2 mmu 
C15.H23.N5.O1.F12.P4.S2.Cl2.		10.0	774.9480	+0.0 mmu 
C35.H24.N3.P5.S2.Cl2.		36.0	774.9477	+0.3 mmu 
C20.H20.N15.O1.P5.S2.Cl2.		29.0	774.9482	-0.2 mmu 
C22.H32.N1.O11.P5.S2.Cl2.		18.0	774.9482	-0.2 mmu 
C16.H25.N11.O6.F1.P5.S2.Cl2.		20.0	774.9480	+0.0 mmu 
C25.H22.N9.F2.P5.S2.Cl2.		29.0	774.9473	+0.7 mmu 
C22.H23.N9.O1.F3.P5.S2.Cl2.		25.0	774.9484	-0.4 mmu 
C18.H28.N5.O6.F4.P5.S2.Cl2.		16.0	774.9482	-0.2 mmu 
C27.H25.N3.F5.P5.S2.Cl2.		25.0	774.9475	+0.5 mmu 
C24.H26.N3.O1.F6.P5.S2.Cl2.		21.0	774.9487	-0.7 mmu 
C19.H26.N3.F10.P5.S2.Cl2.		14.0	774.9474	+0.6 mmu 
C16.H27.N3.O1.F11.P5.S2.Cl2.		10.0	774.9485	-0.5 mmu 
C26.H26.N7.F1.P6.S2.Cl2.		29.0	774.9478	+0.2 mmu 
C22.H31.N3.O5.F2.P6.S2.Cl2.		20.0	774.9476	+0.4 mmu 
C19.H32.N3.O6.F3.P6.S2.Cl2.		16.0	774.9487	-0.7 mmu 
C28.H29.N1.F4.P6.S2.Cl2.		25.0	774.9480	-0.0 mmu 
C20.H30.N1.F9.P6.S2.Cl2.		14.0	774.9479	+0.1 mmu 
C27.H30.N5.P7.S2.Cl2.		29.0	774.9483	-0.3 mmu 
C23.H35.N1.O5.F1.P7.S2.Cl2.		20.0	774.9481	-0.1 mmu 
C35.H7.N13.S3.Cl2.		44.0	774.9487	-0.7 mmu 
C34.H11.N9.O4.S3.Cl2.		39.0	774.9473	+0.7 mmu 
C19.H7.N21.O5.S3.Cl2.		32.0	774.9478	+0.2 mmu 
C21.H19.N7.O15.S3.Cl2.		21.0	774.9478	+0.2 mmu 
C31.H12.N9.O5.F1.S3.Cl2.		35.0	774.9485	-0.5 mmu 
C15.H12.N17.O10.F1.S3.Cl2.		23.0	774.9476	+0.4 mmu 
C17.H24.N3.O20.F1.S3.Cl2.		12.0	774.9476	+0.4 mmu 
C25.H5.N19.F2.S3.Cl2.		37.0	774.9483	-0.3 mmu 
C27.H17.N5.O10.F2.S3.Cl2.		26.0	774.9483	-0.3 mmu 
C12.H13.N17.O11.F2.S3.Cl2.		19.0	774.9488	-0.8 mmu 
C36.H14.N3.O4.F3.S3.Cl2.		35.0	774.9476	+0.4 mmu 
C21.H10.N15.O5.F3.S3.Cl2.		28.0	774.9481	-0.1 mmu 
C23.H22.N1.O15.F3.S3.Cl2.		17.0	774.9481	-0.1 mmu 
C15.H3.N25.F4.S3.Cl2.		30.0	774.9479	+0.1 mmu 
C33.H15.N3.O5.F4.S3.Cl2.		31.0	774.9487	-0.7 mmu 
C17.H15.N11.O10.F4.S3.Cl2.		19.0	774.9479	+0.1 mmu 
C27.H8.N13.F5.S3.Cl2.		33.0	774.9485	-0.5 mmu 
C11.H8.N21.O5.F5.S3.Cl2.		21.0	774.9477	+0.3 mmu 
C13.H20.N7.O15.F5.S3.Cl2.		10.0	774.9477	+0.3 mmu 
C23.H13.N9.O5.F6.S3.Cl2.		24.0	774.9483	-0.3 mmu 
C17.H6.N19.F7.S3.Cl2.		26.0	774.9481	-0.1 mmu 
C19.H18.N5.O10.F7.S3.Cl2.		15.0	774.9481	-0.1 mmu 
C29.H11.N7.F8.S3.Cl2.		29.0	774.9487	-0.7 mmu 
C28.H15.N3.O4.F8.S3.Cl2.		24.0	774.9474	+0.6 mmu 
C13.H11.N15.O5.F8.S3.Cl2.		17.0	774.9479	+0.1 mmu 
C15.H23.N1.O15.F8.S3.Cl2.		6.0	774.9479	+0.1 mmu 
C25.H16.N3.O5.F9.S3.Cl2.		20.0	774.9485	-0.5 mmu 
C9.H16.N11.O10.F9.S3.Cl2.		8.0	774.9477	+0.3 mmu 
C19.H9.N13.F10.S3.Cl2.		22.0	774.9483	-0.3 mmu 
C15.H14.N9.O5.F11.S3.Cl2.		13.0	774.9481	-0.1 mmu 
C11.H19.N5.O10.F12.S3.Cl2.		4.0	774.9479	+0.1 mmu 
C31.H20.N3.O9.P1.S3.Cl2.		30.0	774.9476	+0.4 mmu 
C16.H16.N15.O10.P1.S3.Cl2.		23.0	774.9481	-0.1 mmu 
C18.H28.N1.O20.P1.S3.Cl2.		12.0	774.9481	-0.1 mmu 
C26.H9.N17.F1.P1.S3.Cl2.		37.0	774.9488	-0.8 mmu 
C25.H13.N13.O4.F1.P1.S3.Cl2.		32.0	774.9474	+0.6 mmu 
C37.H18.N1.O4.F2.P1.S3.Cl2.		35.0	774.9481	-0.1 mmu 
C22.H14.N13.O5.F2.P1.S3.Cl2.		28.0	774.9486	-0.6 mmu 
C21.H18.N9.O9.F2.P1.S3.Cl2.		23.0	774.9472	+0.8 mmu 
C16.H7.N23.F3.P1.S3.Cl2.		30.0	774.9484	-0.4 mmu 
C18.H19.N9.O10.F3.P1.S3.Cl2.		19.0	774.9484	-0.4 mmu 
C27.H16.N7.O4.F4.P1.S3.Cl2.		28.0	774.9477	+0.3 mmu 
C12.H12.N19.O5.F4.P1.S3.Cl2.		21.0	774.9482	-0.2 mmu 
C14.H24.N5.O15.F4.P1.S3.Cl2.		10.0	774.9482	-0.2 mmu 
C23.H21.N3.O9.F5.P1.S3.Cl2.		19.0	774.9475	+0.5 mmu 
C18.H10.N17.F6.P1.S3.Cl2.		26.0	774.9486	-0.6 mmu 
C17.H14.N13.O4.F6.P1.S3.Cl2.		21.0	774.9473	+0.7 mmu 
C20.H22.N3.O10.F6.P1.S3.Cl2.		15.0	774.9486	-0.6 mmu 
C29.H19.N1.O4.F7.P1.S3.Cl2.		24.0	774.9479	+0.1 mmu 
C14.H15.N13.O5.F7.P1.S3.Cl2.		17.0	774.9484	-0.4 mmu 
C10.H20.N9.O10.F8.P1.S3.Cl2.		8.0	774.9482	-0.2 mmu 
C19.H17.N7.O4.F9.P1.S3.Cl2.		17.0	774.9475	+0.5 mmu 
C16.H18.N7.O5.F10.P1.S3.Cl2.		13.0	774.9487	-0.7 mmu 
C15.H22.N3.O9.F10.P1.S3.Cl2.		8.0	774.9473	+0.7 mmu 
C10.H11.N17.F11.P1.S3.Cl2.		15.0	774.9484	-0.4 mmu 
C12.H23.N3.O10.F11.P1.S3.Cl2.		4.0	774.9485	-0.5 mmu 
C21.H20.N1.O4.F12.P1.S3.Cl2.		13.0	774.9478	+0.2 mmu 
C26.H17.N11.O4.P2.S3.Cl2.		32.0	774.9479	+0.1 mmu 
C13.H25.N9.O15.P2.S3.Cl2.		14.0	774.9485	-0.5 mmu 
C22.H22.N7.O9.F1.P2.S3.Cl2.		23.0	774.9477	+0.3 mmu 
C16.H15.N17.O4.F2.P2.S3.Cl2.		25.0	774.9475	+0.5 mmu 
C18.H27.N3.O14.F2.P2.S3.Cl2.		14.0	774.9475	+0.5 mmu 
C28.H20.N5.O4.F3.P2.S3.Cl2.		28.0	774.9482	-0.2 mmu 
C13.H16.N17.O5.F3.P2.S3.Cl2.		21.0	774.9487	-0.7 mmu 
C12.H20.N13.O9.F3.P2.S3.Cl2.		16.0	774.9473	+0.7 mmu 
C15.H28.N3.O15.F3.P2.S3.Cl2.		10.0	774.9487	-0.7 mmu 
C24.H25.N1.O9.F4.P2.S3.Cl2.		19.0	774.9480	+0.0 mmu 
C9.H21.N13.O10.F4.P2.S3.Cl2.		12.0	774.9485	-0.5 mmu 
C18.H18.N11.O4.F5.P2.S3.Cl2.		21.0	774.9478	+0.2 mmu 
C14.H23.N7.O9.F6.P2.S3.Cl2.		12.0	774.9476	+0.4 mmu 
C11.H24.N7.O10.F7.P2.S3.Cl2.		8.0	774.9487	-0.7 mmu 
C20.H21.N5.O4.F8.P2.S3.Cl2.		17.0	774.9480	-0.0 mmu 
C16.H26.N1.O9.F9.P2.S3.Cl2.		8.0	774.9478	+0.2 mmu 
C10.H19.N11.O4.F10.P2.S3.Cl2.		10.0	774.9476	+0.4 mmu 
C7.H20.N11.O5.F11.P2.S3.Cl2.		6.0	774.9488	-0.8 mmu 
C23.H26.N5.O9.P3.S3.Cl2.		23.0	774.9483	-0.3 mmu 
C32.H23.N3.O3.F1.P3.S3.Cl2.		32.0	774.9475	+0.5 mmu 
C17.H19.N15.O4.F1.P3.S3.Cl2.		25.0	774.9480	-0.0 mmu 
C19.H31.N1.O14.F1.P3.S3.Cl2.		14.0	774.9481	-0.1 mmu 
C29.H24.N3.O4.F2.P3.S3.Cl2.		28.0	774.9487	-0.7 mmu 
C13.H24.N11.O9.F2.P3.S3.Cl2.		16.0	774.9479	+0.1 mmu 
C19.H22.N9.O4.F4.P3.S3.Cl2.		21.0	774.9483	-0.3 mmu 
C15.H27.N5.O9.F5.P3.S3.Cl2.		12.0	774.9481	-0.1 mmu 
C24.H24.N3.O3.F6.P3.S3.Cl2.		21.0	774.9474	+0.6 mmu 
C21.H25.N3.O4.F7.P3.S3.Cl2.		17.0	774.9485	-0.5 mmu 
C11.H23.N9.O4.F9.P3.S3.Cl2.		10.0	774.9481	-0.1 mmu 
C16.H25.N3.O3.F11.P3.S3.Cl2.		10.0	774.9472	+0.8 mmu 
C13.H26.N3.O4.F12.P3.S3.Cl2.		6.0	774.9484	-0.4 mmu 
C33.H27.N1.O3.P4.S3.Cl2.		32.0	774.9481	-0.1 mmu 
C18.H23.N13.O4.P4.S3.Cl2.		25.0	774.9486	-0.6 mmu 
C14.H28.N9.O9.F1.P4.S3.Cl2.		16.0	774.9484	-0.4 mmu 
C23.H25.N7.O3.F2.P4.S3.Cl2.		25.0	774.9477	+0.3 mmu 
C19.H30.N3.O8.F3.P4.S3.Cl2.		16.0	774.9475	+0.5 mmu 
C13.H23.N13.O3.F4.P4.S3.Cl2.		18.0	774.9473	+0.7 mmu 
C16.H31.N3.O9.F4.P4.S3.Cl2.		12.0	774.9486	-0.6 mmu 
C25.H28.N1.O3.F5.P4.S3.Cl2.		21.0	774.9479	+0.1 mmu 
C15.H26.N7.O3.F7.P4.S3.Cl2.		14.0	774.9475	+0.5 mmu 
C17.H29.N1.O3.F10.P4.S3.Cl2.		10.0	774.9477	+0.3 mmu 
C24.H29.N5.O3.F1.P5.S3.Cl2.		25.0	774.9482	-0.2 mmu 
C20.H34.N1.O8.F2.P5.S3.Cl2.		16.0	774.9480	+0.0 mmu 
C16.H30.N5.O3.F6.P5.S3.Cl2.		14.0	774.9480	-0.0 mmu 
C25.H33.N3.O3.P6.S3.Cl2.		25.0	774.9487	-0.7 mmu 
C20.H33.N3.O2.F4.P6.S3.Cl2.		18.0	774.9474	+0.6 mmu 
C42.H15.N3.O1.S4.Cl2.		44.0	774.9475	+0.5 mmu 
C27.H11.N15.O2.S4.Cl2.		37.0	774.9480	-0.0 mmu 
C29.H23.N1.O12.S4.Cl2.		26.0	774.9480	-0.0 mmu 
C14.H19.N13.O13.S4.Cl2.		19.0	774.9485	-0.5 mmu 
C39.H16.N3.O2.F1.S4.Cl2.		40.0	774.9486	-0.6 mmu 
C23.H16.N11.O7.F1.S4.Cl2.		28.0	774.9478	+0.2 mmu 
C17.H9.N21.O2.F2.S4.Cl2.		30.0	774.9476	+0.4 mmu 
C19.H21.N7.O12.F2.S4.Cl2.		19.0	774.9476	+0.4 mmu 
C29.H14.N9.O2.F3.S4.Cl2.		33.0	774.9482	-0.2 mmu 
C14.H10.N21.O3.F3.S4.Cl2.		26.0	774.9487	-0.7 mmu 
C13.H14.N17.O7.F3.S4.Cl2.		21.0	774.9474	+0.6 mmu 
C16.H22.N7.O13.F3.S4.Cl2.		15.0	774.9488	-0.8 mmu 
C15.H26.N3.O17.F3.S4.Cl2.		10.0	774.9474	+0.6 mmu 
C25.H19.N5.O7.F4.S4.Cl2.		24.0	774.9480	-0.0 mmu 
C10.H15.N17.O8.F4.S4.Cl2.		17.0	774.9486	-0.6 mmu 
C34.H16.N3.O1.F5.S4.Cl2.		33.0	774.9473	+0.7 mmu 
C19.H12.N15.O2.F5.S4.Cl2.		26.0	774.9478	+0.2 mmu 
C21.H24.N1.O12.F5.S4.Cl2.		15.0	774.9479	+0.1 mmu 
C31.H17.N3.O2.F6.S4.Cl2.		29.0	774.9485	-0.5 mmu 
C15.H17.N11.O7.F6.S4.Cl2.		17.0	774.9476	+0.4 mmu 
C11.H22.N7.O12.F7.S4.Cl2.		8.0	774.9475	+0.5 mmu 
C21.H15.N9.O2.F8.S4.Cl2.		22.0	774.9481	-0.1 mmu 
C17.H20.N5.O7.F9.S4.Cl2.		13.0	774.9479	+0.1 mmu 
C11.H13.N15.O2.F10.S4.Cl2.		15.0	774.9477	+0.3 mmu 
C13.H25.N1.O12.F10.S4.Cl2.		4.0	774.9477	+0.3 mmu 
C23.H18.N3.O2.F11.S4.Cl2.		18.0	774.9483	-0.3 mmu 
C7.H18.N11.O7.F11.S4.Cl2.		6.0	774.9475	+0.5 mmu 
C24.H20.N9.O7.P1.S4.Cl2.		28.0	774.9483	-0.3 mmu 
C33.H17.N7.O1.F1.P1.S4.Cl2.		37.0	774.9476	+0.4 mmu 
C18.H13.N19.O2.F1.P1.S4.Cl2.		30.0	774.9481	-0.1 mmu 
C20.H25.N5.O12.F1.P1.S4.Cl2.		19.0	774.9481	-0.1 mmu 
C30.H18.N7.O2.F2.P1.S4.Cl2.		33.0	774.9488	-0.8 mmu 
C29.H22.N3.O6.F2.P1.S4.Cl2.		28.0	774.9474	+0.6 mmu 
C14.H18.N15.O7.F2.P1.S4.Cl2.		21.0	774.9479	+0.1 mmu 
C16.H30.N1.O17.F2.P1.S4.Cl2.		10.0	774.9479	+0.1 mmu 
C26.H23.N3.O7.F3.P1.S4.Cl2.		24.0	774.9486	-0.6 mmu 
C10.H23.N11.O12.F3.P1.S4.Cl2.		12.0	774.9477	+0.3 mmu 
C35.H20.N1.O1.F4.P1.S4.Cl2.		33.0	774.9479	+0.1 mmu 
C20.H16.N13.O2.F4.P1.S4.Cl2.		26.0	774.9484	-0.4 mmu 
C16.H21.N9.O7.F5.P1.S4.Cl2.		17.0	774.9482	-0.2 mmu 
C25.H18.N7.O1.F6.P1.S4.Cl2.		26.0	774.9475	+0.5 mmu 
C10.H14.N19.O2.F6.P1.S4.Cl2.		19.0	774.9480	+0.0 mmu 
C12.H26.N5.O12.F6.P1.S4.Cl2.		8.0	774.9480	+0.0 mmu 
C22.H19.N7.O2.F7.P1.S4.Cl2.		22.0	774.9486	-0.6 mmu 
C21.H23.N3.O6.F7.P1.S4.Cl2.		17.0	774.9473	+0.7 mmu 
C18.H24.N3.O7.F8.P1.S4.Cl2.		13.0	774.9484	-0.4 mmu 
C27.H21.N1.O1.F9.P1.S4.Cl2.		22.0	774.9477	+0.3 mmu 
C12.H17.N13.O2.F9.P1.S4.Cl2.		15.0	774.9482	-0.2 mmu 
C8.H22.N9.O7.F10.P1.S4.Cl2.		6.0	774.9480	-0.0 mmu 
C17.H19.N7.O1.F11.P1.S4.Cl2.		15.0	774.9473	+0.7 mmu 
C14.H20.N7.O2.F12.P1.S4.Cl2.		11.0	774.9484	-0.4 mmu 
C34.H21.N5.O1.P2.S4.Cl2.		37.0	774.9481	-0.1 mmu 
C19.H17.N17.O2.P2.S4.Cl2.		30.0	774.9486	-0.6 mmu 
C18.H21.N13.O6.P2.S4.Cl2.		25.0	774.9473	+0.7 mmu 
C21.H29.N3.O12.P2.S4.Cl2.		19.0	774.9486	-0.6 mmu 
C30.H26.N1.O6.F1.P2.S4.Cl2.		28.0	774.9479	+0.1 mmu 
C15.H22.N13.O7.F1.P2.S4.Cl2.		21.0	774.9484	-0.4 mmu 
C24.H19.N11.O1.F2.P2.S4.Cl2.		30.0	774.9477	+0.3 mmu 
C11.H27.N9.O12.F2.P2.S4.Cl2.		12.0	774.9482	-0.2 mmu 
C20.H24.N7.O6.F3.P2.S4.Cl2.		21.0	774.9475	+0.5 mmu 
C14.H17.N17.O1.F4.P2.S4.Cl2.		23.0	774.9473	+0.7 mmu 
C17.H25.N7.O7.F4.P2.S4.Cl2.		17.0	774.9487	-0.7 mmu 
C16.H29.N3.O11.F4.P2.S4.Cl2.		12.0	774.9473	+0.7 mmu 
C26.H22.N5.O1.F5.P2.S4.Cl2.		26.0	774.9480	+0.0 mmu 
C11.H18.N17.O2.F5.P2.S4.Cl2.		19.0	774.9485	-0.5 mmu 
C13.H30.N3.O12.F5.P2.S4.Cl2.		8.0	774.9485	-0.5 mmu 
C22.H27.N1.O6.F6.P2.S4.Cl2.		17.0	774.9478	+0.2 mmu 
C16.H20.N11.O1.F7.P2.S4.Cl2.		19.0	774.9476	+0.4 mmu 
C13.H21.N11.O2.F8.P2.S4.Cl2.		15.0	774.9487	-0.7 mmu 
C12.H25.N7.O6.F8.P2.S4.Cl2.		10.0	774.9474	+0.6 mmu 
C9.H26.N7.O7.F9.P2.S4.Cl2.		6.0	774.9485	-0.5 mmu 
C18.H23.N5.O1.F10.P2.S4.Cl2.		15.0	774.9478	+0.2 mmu 
C14.H28.N1.O6.F11.P2.S4.Cl2.		6.0	774.9476	+0.4 mmu 
C8.H21.N11.O1.F12.P2.S4.Cl2.		8.0	774.9474	+0.6 mmu 
C11.H29.N1.O7.F12.P2.S4.Cl2.		2.0	774.9488	-0.8 mmu 
C13.H18.N21.O1.P3.S4.Cl2.		27.0	774.9476	+0.4 mmu 
C15.H30.N7.O11.P3.S4.Cl2.		16.0	774.9476	+0.4 mmu 
C25.H23.N9.O1.F1.P3.S4.Cl2.		30.0	774.9482	-0.2 mmu 
C12.H31.N7.O12.F1.P3.S4.Cl2.		12.0	774.9487	-0.7 mmu 
C21.H28.N5.O6.F2.P3.S4.Cl2.		21.0	774.9480	-0.0 mmu 
C30.H25.N3.F3.P3.S4.Cl2.		30.0	774.9473	+0.7 mmu 
C15.H21.N15.O1.F3.P3.S4.Cl2.		23.0	774.9478	+0.2 mmu 
C17.H33.N1.O11.F3.P3.S4.Cl2.		12.0	774.9478	+0.2 mmu 
C27.H26.N3.O1.F4.P3.S4.Cl2.		26.0	774.9485	-0.5 mmu 
C11.H26.N11.O6.F4.P3.S4.Cl2.		14.0	774.9476	+0.4 mmu 
C17.H24.N9.O1.F6.P3.S4.Cl2.		19.0	774.9481	-0.1 mmu 
C13.H29.N5.O6.F7.P3.S4.Cl2.		10.0	774.9479	+0.1 mmu 
C19.H27.N3.O1.F9.P3.S4.Cl2.		15.0	774.9483	-0.3 mmu 
C25.H31.N3.O5.P4.S4.Cl2.		25.0	774.9474	+0.6 mmu 
C22.H32.N3.O6.F1.P4.S4.Cl2.		21.0	774.9485	-0.5 mmu 
C31.H29.N1.F2.P4.S4.Cl2.		30.0	774.9478	+0.2 mmu 
C17.H32.N3.O5.F5.P4.S4.Cl2.		14.0	774.9472	+0.8 mmu 
C14.H33.N3.O6.F6.P4.S4.Cl2.		10.0	774.9484	-0.4 mmu 
C23.H30.N1.F7.P4.S4.Cl2.		19.0	774.9477	+0.3 mmu 
C15.H31.N1.F12.P4.S4.Cl2.		8.0	774.9475	+0.5 mmu 
C18.H36.N1.O5.F4.P5.S4.Cl2.		14.0	774.9478	+0.2 mmu 
C23.H35.N3.F2.P6.S4.Cl2.		23.0	774.9485	-0.5 mmu 
C20.H11.N21.S5.Cl2.		35.0	774.9487	-0.7 mmu 
C19.H15.N17.O4.S5.Cl2.		30.0	774.9474	+0.6 mmu 
C22.H23.N7.O10.S5.Cl2.		24.0	774.9487	-0.7 mmu 
C21.H27.N3.O14.S5.Cl2.		19.0	774.9474	+0.6 mmu 
C31.H20.N5.O4.F1.S5.Cl2.		33.0	774.9480	+0.0 mmu 
C16.H16.N17.O5.F1.S5.Cl2.		26.0	774.9485	-0.5 mmu 
C18.H28.N3.O15.F1.S5.Cl2.		15.0	774.9485	-0.5 mmu 
C27.H25.N1.O9.F2.S5.Cl2.		24.0	774.9478	+0.2 mmu 
C12.H21.N13.O10.F2.S5.Cl2.		17.0	774.9483	-0.3 mmu 
C21.H18.N11.O4.F3.S5.Cl2.		26.0	774.9476	+0.4 mmu 
C18.H19.N11.O5.F4.S5.Cl2.		22.0	774.9487	-0.7 mmu 
C17.H23.N7.O9.F4.S5.Cl2.		17.0	774.9474	+0.6 mmu 
C12.H12.N21.F5.S5.Cl2.		24.0	774.9485	-0.5 mmu 
C14.H24.N7.O10.F5.S5.Cl2.		13.0	774.9485	-0.5 mmu 
C23.H21.N5.O4.F6.S5.Cl2.		22.0	774.9478	+0.2 mmu 
C19.H26.N1.O9.F7.S5.Cl2.		13.0	774.9476	+0.4 mmu 
C14.H15.N15.F8.S5.Cl2.		20.0	774.9488	-0.8 mmu 
C13.H19.N11.O4.F8.S5.Cl2.		15.0	774.9474	+0.6 mmu 
C10.H20.N11.O5.F9.S5.Cl2.		11.0	774.9486	-0.6 mmu 
C9.H24.N7.O9.F9.S5.Cl2.		6.0	774.9472	+0.8 mmu 
C15.H22.N5.O4.F11.S5.Cl2.		11.0	774.9477	+0.3 mmu 
C11.H27.N1.O9.F12.S5.Cl2.		2.0	774.9475	+0.5 mmu 
C32.H24.N3.O4.P1.S5.Cl2.		33.0	774.9485	-0.5 mmu 
C16.H24.N11.O9.P1.S5.Cl2.		21.0	774.9477	+0.3 mmu 
C12.H29.N7.O14.F1.P1.S5.Cl2.		12.0	774.9475	+0.5 mmu 
C22.H22.N9.O4.F2.P1.S5.Cl2.		26.0	774.9481	-0.1 mmu 
C18.H27.N5.O9.F3.P1.S5.Cl2.		17.0	774.9479	+0.1 mmu 
C12.H20.N15.O4.F4.P1.S5.Cl2.		19.0	774.9477	+0.3 mmu 
C14.H32.N1.O14.F4.P1.S5.Cl2.		8.0	774.9477	+0.3 mmu 
C24.H25.N3.O4.F5.P1.S5.Cl2.		22.0	774.9483	-0.3 mmu 
C14.H23.N9.O4.F7.P1.S5.Cl2.		15.0	774.9479	+0.1 mmu 
C10.H28.N5.O9.F8.P1.S5.Cl2.		6.0	774.9477	+0.3 mmu 
C16.H26.N3.O4.F10.P1.S5.Cl2.		11.0	774.9482	-0.2 mmu 
C26.H25.N7.O3.P2.S5.Cl2.		30.0	774.9475	+0.5 mmu 
C11.H21.N19.O4.P2.S5.Cl2.		23.0	774.9480	+0.0 mmu 
C13.H33.N5.O14.P2.S5.Cl2.		12.0	774.9480	+0.0 mmu 
C23.H26.N7.O4.F1.P2.S5.Cl2.		26.0	774.9486	-0.6 mmu 
C22.H30.N3.O8.F1.P2.S5.Cl2.		21.0	774.9473	+0.7 mmu 
C19.H31.N3.O9.F2.P2.S5.Cl2.		17.0	774.9484	-0.4 mmu 
C28.H28.N1.O3.F3.P2.S5.Cl2.		26.0	774.9477	+0.3 mmu 
C13.H24.N13.O4.F3.P2.S5.Cl2.		19.0	774.9482	-0.2 mmu 
C18.H26.N7.O3.F5.P2.S5.Cl2.		19.0	774.9473	+0.7 mmu 
C15.H27.N7.O4.F6.P2.S5.Cl2.		15.0	774.9485	-0.5 mmu 
C11.H32.N3.O9.F7.P2.S5.Cl2.		6.0	774.9483	-0.3 mmu 
C20.H29.N1.O3.F8.P2.S5.Cl2.		15.0	774.9476	+0.4 mmu 
C17.H30.N1.O4.F9.P2.S5.Cl2.		11.0	774.9487	-0.7 mmu 
C23.H34.N1.O8.P3.S5.Cl2.		21.0	774.9478	+0.2 mmu 
C17.H27.N11.O3.F1.P3.S5.Cl2.		23.0	774.9476	+0.4 mmu 
C14.H28.N11.O4.F2.P3.S5.Cl2.		19.0	774.9487	-0.7 mmu 
C13.H32.N7.O8.F2.P3.S5.Cl2.		14.0	774.9474	+0.6 mmu 
C19.H30.N5.O3.F4.P3.S5.Cl2.		19.0	774.9478	+0.2 mmu 
C15.H35.N1.O8.F5.P3.S5.Cl2.		10.0	774.9476	+0.4 mmu 
C12.H36.N1.O9.F6.P3.S5.Cl2.		6.0	774.9488	-0.8 mmu 
C11.H31.N5.O3.F9.P3.S5.Cl2.		8.0	774.9477	+0.3 mmu 
C20.H34.N3.O3.F3.P4.S5.Cl2.		19.0	774.9483	-0.3 mmu 
C24.H37.N1.O2.F1.P5.S5.Cl2.		23.0	774.9477	+0.3 mmu 
C16.H38.N1.O2.F6.P5.S5.Cl2.		12.0	774.9475	+0.5 mmu 
C27.H19.N11.O1.S6.Cl2.		35.0	774.9475	+0.5 mmu 
C12.H15.N23.O2.S6.Cl2.		28.0	774.9480	-0.0 mmu 
C14.H27.N9.O12.S6.Cl2.		17.0	774.9480	-0.0 mmu 
C24.H20.N11.O2.F1.S6.Cl2.		31.0	774.9487	-0.7 mmu 
C23.H24.N7.O6.F1.S6.Cl2.		26.0	774.9473	+0.7 mmu 
C20.H25.N7.O7.F2.S6.Cl2.		22.0	774.9485	-0.5 mmu 
C29.H22.N5.O1.F3.S6.Cl2.		31.0	774.9478	+0.2 mmu 
C14.H18.N17.O2.F3.S6.Cl2.		24.0	774.9483	-0.3 mmu 
C16.H30.N3.O12.F3.S6.Cl2.		13.0	774.9483	-0.3 mmu 
C25.H27.N1.O6.F4.S6.Cl2.		22.0	774.9476	+0.4 mmu 
C10.H23.N13.O7.F4.S6.Cl2.		15.0	774.9481	-0.1 mmu 
C19.H20.N11.O1.F5.S6.Cl2.		24.0	774.9474	+0.6 mmu 
C22.H28.N1.O7.F5.S6.Cl2.		18.0	774.9487	-0.7 mmu 
C16.H21.N11.O2.F6.S6.Cl2.		20.0	774.9485	-0.5 mmu 
C12.H26.N7.O7.F7.S6.Cl2.		11.0	774.9483	-0.3 mmu 
C21.H23.N5.O1.F8.S6.Cl2.		20.0	774.9476	+0.4 mmu 
C18.H24.N5.O2.F9.S6.Cl2.		16.0	774.9488	-0.8 mmu 
C17.H28.N1.O6.F9.S6.Cl2.		11.0	774.9474	+0.6 mmu 
C14.H29.N1.O7.F10.S6.Cl2.		7.0	774.9486	-0.6 mmu 
C24.H28.N5.O6.P1.S6.Cl2.		26.0	774.9478	+0.2 mmu 
C18.H21.N15.O1.F1.P1.S6.Cl2.		28.0	774.9476	+0.4 mmu 
C20.H33.N1.O11.F1.P1.S6.Cl2.		17.0	774.9477	+0.3 mmu 
C30.H26.N3.O1.F2.P1.S6.Cl2.		31.0	774.9483	-0.3 mmu 
C14.H26.N11.O6.F2.P1.S6.Cl2.		19.0	774.9475	+0.5 mmu 
C11.H27.N11.O7.F3.P1.S6.Cl2.		15.0	774.9486	-0.6 mmu 
C20.H24.N9.O1.F4.P1.S6.Cl2.		24.0	774.9479	+0.1 mmu 
C16.H29.N5.O6.F5.P1.S6.Cl2.		15.0	774.9477	+0.3 mmu 
C10.H22.N15.O1.F6.P1.S6.Cl2.		17.0	774.9475	+0.5 mmu 
C12.H34.N1.O11.F6.P1.S6.Cl2.		6.0	774.9475	+0.5 mmu 
C22.H27.N3.O1.F7.P1.S6.Cl2.		20.0	774.9481	-0.1 mmu 
C12.H25.N9.O1.F9.P1.S6.Cl2.		13.0	774.9477	+0.3 mmu 
C14.H28.N3.O1.F12.P1.S6.Cl2.		9.0	774.9480	+0.0 mmu 
C34.H29.N1.P2.S6.Cl2.		35.0	774.9477	+0.3 mmu 
C19.H25.N13.O1.P2.S6.Cl2.		28.0	774.9482	-0.2 mmu 
C15.H30.N9.O6.F1.P2.S6.Cl2.		19.0	774.9480	+0.0 mmu 
C24.H27.N7.F2.P2.S6.Cl2.		28.0	774.9473	+0.7 mmu 
C21.H28.N7.O1.F3.P2.S6.Cl2.		24.0	774.9484	-0.4 mmu 
C17.H33.N3.O6.F4.P2.S6.Cl2.		15.0	774.9482	-0.2 mmu 
C26.H30.N1.F5.P2.S6.Cl2.		24.0	774.9475	+0.5 mmu 
C11.H26.N13.O1.F5.P2.S6.Cl2.		17.0	774.9480	+0.0 mmu 
C23.H31.N1.O1.F6.P2.S6.Cl2.		20.0	774.9486	-0.6 mmu 
C13.H29.N7.O1.F8.P2.S6.Cl2.		13.0	774.9482	-0.2 mmu 
C18.H31.N1.F10.P2.S6.Cl2.		13.0	774.9473	+0.7 mmu 
C15.H32.N1.O1.F11.P2.S6.Cl2.		9.0	774.9485	-0.5 mmu 
C16.H34.N7.O6.P3.S6.Cl2.		19.0	774.9485	-0.5 mmu 
C25.H31.N5.F1.P3.S6.Cl2.		28.0	774.9478	+0.2 mmu 
C10.H27.N17.O1.F1.P3.S6.Cl2.		21.0	774.9483	-0.3 mmu 
C21.H36.N1.O5.F2.P3.S6.Cl2.		19.0	774.9476	+0.4 mmu 
C15.H29.N11.F3.P3.S6.Cl2.		21.0	774.9474	+0.6 mmu 
C18.H37.N1.O6.F3.P3.S6.Cl2.		15.0	774.9487	-0.7 mmu 
C12.H30.N11.O1.F4.P3.S6.Cl2.		17.0	774.9485	-0.5 mmu 
C17.H32.N5.F6.P3.S6.Cl2.		17.0	774.9476	+0.4 mmu 
C14.H33.N5.O1.F7.P3.S6.Cl2.		13.0	774.9487	-0.7 mmu 
C13.H37.N1.O5.F7.P3.S6.Cl2.		8.0	774.9474	+0.6 mmu 
C26.H35.N3.P4.S6.Cl2.		28.0	774.9483	-0.3 mmu 
C18.H36.N3.F5.P4.S6.Cl2.		17.0	774.9481	-0.1 mmu 
C19.H40.N1.F4.P5.S6.Cl2.		17.0	774.9486	-0.6 mmu 
C22.H31.N3.O9.S7.Cl2.		22.0	774.9482	-0.2 mmu 
C31.H28.N1.O3.F1.S7.Cl2.		31.0	774.9475	+0.5 mmu 
C16.H24.N13.O4.F1.S7.Cl2.		24.0	774.9480	-0.0 mmu 
C28.H29.N1.O4.F2.S7.Cl2.		27.0	774.9487	-0.7 mmu 
C12.H29.N9.O9.F2.S7.Cl2.		15.0	774.9478	+0.2 mmu 
C18.H27.N7.O4.F4.S7.Cl2.		20.0	774.9483	-0.3 mmu 
C14.H32.N3.O9.F5.S7.Cl2.		11.0	774.9481	-0.1 mmu 
C23.H29.N1.O3.F6.S7.Cl2.		20.0	774.9474	+0.6 mmu 
C20.H30.N1.O4.F7.S7.Cl2.		16.0	774.9485	-0.5 mmu 
C12.H31.N1.O4.F12.S7.Cl2.		5.0	774.9483	-0.3 mmu 
C17.H28.N11.O4.P1.S7.Cl2.		24.0	774.9485	-0.5 mmu 
C13.H33.N7.O9.F1.P1.S7.Cl2.		15.0	774.9483	-0.3 mmu 
C22.H30.N5.O3.F2.P1.S7.Cl2.		24.0	774.9476	+0.4 mmu 
C18.H35.N1.O8.F3.P1.S7.Cl2.		15.0	774.9474	+0.6 mmu 
C12.H28.N11.O3.F4.P1.S7.Cl2.		17.0	774.9472	+0.8 mmu 
C15.H36.N1.O9.F4.P1.S7.Cl2.		11.0	774.9486	-0.6 mmu 
C14.H31.N5.O3.F7.P1.S7.Cl2.		13.0	774.9475	+0.5 mmu 
C11.H32.N5.O4.F8.P1.S7.Cl2.		9.0	774.9486	-0.6 mmu 
C11.H29.N15.O3.P2.S7.Cl2.		21.0	774.9475	+0.5 mmu 
C23.H34.N3.O3.F1.P2.S7.Cl2.		24.0	774.9481	-0.1 mmu 
C13.H32.N9.O3.F3.P2.S7.Cl2.		17.0	774.9477	+0.3 mmu 
C15.H35.N3.O3.F6.P2.S7.Cl2.		13.0	774.9480	+0.0 mmu 
C24.H38.N1.O3.P3.S7.Cl2.		24.0	774.9487	-0.7 mmu 
C14.H36.N7.O3.F2.P3.S7.Cl2.		17.0	774.9483	-0.3 mmu 
C19.H38.N1.O2.F4.P3.S7.Cl2.		17.0	774.9474	+0.6 mmu 
C16.H39.N1.O3.F5.P3.S7.Cl2.		13.0	774.9485	-0.5 mmu 
C14.H35.N5.O11.S8.Cl2.		15.0	774.9476	+0.4 mmu 
C24.H28.N7.O1.F1.S8.Cl2.		29.0	774.9482	-0.2 mmu 
C20.H33.N3.O6.F2.S8.Cl2.		20.0	774.9480	-0.0 mmu 
C29.H30.N1.F3.S8.Cl2.		29.0	774.9473	+0.7 mmu 
C14.H26.N13.O1.F3.S8.Cl2.		22.0	774.9478	+0.2 mmu 
C26.H31.N1.O1.F4.S8.Cl2.		25.0	774.9484	-0.4 mmu 
C16.H29.N7.O1.F6.S8.Cl2.		18.0	774.9480	-0.0 mmu 
C18.H32.N1.O1.F9.S8.Cl2.		14.0	774.9483	-0.3 mmu 
C25.H32.N5.O1.P1.S8.Cl2.		29.0	774.9487	-0.7 mmu 
C24.H36.N1.O5.P1.S8.Cl2.		24.0	774.9474	+0.6 mmu 
C21.H37.N1.O6.F1.P1.S8.Cl2.		20.0	774.9485	-0.5 mmu 
C15.H30.N11.O1.F2.P1.S8.Cl2.		22.0	774.9483	-0.3 mmu 
C20.H32.N5.F4.P1.S8.Cl2.		22.0	774.9474	+0.6 mmu 
C17.H33.N5.O1.F5.P1.S8.Cl2.		18.0	774.9486	-0.6 mmu 
C13.H38.N1.O6.F6.P1.S8.Cl2.		9.0	774.9484	-0.4 mmu 
C19.H33.N9.P2.S8.Cl2.		26.0	774.9477	+0.3 mmu 
C15.H38.N5.O5.F1.P2.S8.Cl2.		17.0	774.9475	+0.5 mmu 
C21.H36.N3.F3.P2.S8.Cl2.		22.0	774.9479	+0.1 mmu 
C13.H37.N3.F8.P2.S8.Cl2.		11.0	774.9478	+0.2 mmu 
C16.H42.N3.O5.P3.S8.Cl2.		17.0	774.9480	-0.0 mmu 
C22.H40.N1.F2.P3.S8.Cl2.		22.0	774.9484	-0.4 mmu 
C14.H41.N1.F7.P3.S8.Cl2.		11.0	774.9483	-0.3 mmu 
C16.H32.N9.O3.F1.S9.Cl2.		22.0	774.9476	+0.4 mmu 
C18.H35.N3.O3.F4.S9.Cl2.		18.0	774.9478	+0.2 mmu 
C17.H36.N7.O3.P1.S9.Cl2.		22.0	774.9481	-0.1 mmu 
C19.H39.N1.O3.F3.P1.S9.Cl2.		18.0	774.9483	-0.3 mmu 
C24.H36.N3.F1.S10.Cl2.		27.0	774.9477	+0.3 mmu 
C16.H37.N3.F6.S10.Cl2.		16.0	774.9476	+0.4 mmu 
C25.H40.N1.P1.S10.Cl2.		27.0	774.9482	-0.2 mmu 
C17.H41.N1.F5.P1.S10.Cl2.		16.0	774.9481	-0.1 mmu 
C16.H42.N5.F1.P2.S10.Cl2.		20.0	774.9484	-0.4 mmu 
C17.H44.N3.O2.P1.S11.Cl2.		20.0	774.9476	+0.4 mmu 
C37.N15.O1.Cl3.		44.0	774.9476	+0.4 mmu 
C39.H12.N1.O11.Cl3.		33.0	774.9476	+0.4 mmu 
C24.H8.N13.O12.Cl3.		26.0	774.9481	-0.1 mmu 
C36.H13.N1.O12.F1.Cl3.		29.0	774.9487	-0.7 mmu 
C20.H13.N9.O17.F1.Cl3.		17.0	774.9479	+0.1 mmu 
C30.H6.N11.O7.F2.Cl3.		31.0	774.9485	-0.5 mmu 
C14.H6.N19.O12.F2.Cl3.		19.0	774.9477	+0.3 mmu 
C26.H11.N7.O12.F3.Cl3.		22.0	774.9483	-0.3 mmu 
C35.H8.N5.O6.F4.Cl3.		31.0	774.9476	+0.4 mmu 
C20.H4.N17.O7.F4.Cl3.		24.0	774.9481	-0.1 mmu 
C22.H16.N3.O17.F4.Cl3.		13.0	774.9481	-0.1 mmu 
C32.H9.N5.O7.F5.Cl3.		27.0	774.9488	-0.8 mmu 
C31.H13.N1.O11.F5.Cl3.		22.0	774.9474	+0.6 mmu 
C16.H9.N13.O12.F5.Cl3.		15.0	774.9479	+0.1 mmu 
C25.H6.N11.O6.F6.Cl3.		24.0	774.9472	+0.8 mmu 
C28.H14.N1.O12.F6.Cl3.		18.0	774.9486	-0.6 mmu 
C22.H7.N11.O7.F7.Cl3.		20.0	774.9484	-0.4 mmu 
C16.N21.O2.F8.Cl3.		22.0	774.9482	-0.2 mmu 
C18.H12.N7.O12.F8.Cl3.		11.0	774.9482	-0.2 mmu 
C27.H9.N5.O6.F9.Cl3.		20.0	774.9475	+0.5 mmu 
C12.H5.N17.O7.F9.Cl3.		13.0	774.9480	+0.0 mmu 
C24.H10.N5.O7.F10.Cl3.		16.0	774.9486	-0.6 mmu 
C23.H14.N1.O11.F10.Cl3.		11.0	774.9473	+0.7 mmu 
C33.H7.N3.O1.F11.Cl3.		25.0	774.9479	+0.1 mmu 
C20.H15.N1.O12.F11.Cl3.		7.0	774.9484	-0.4 mmu 
C14.H8.N11.O7.F12.Cl3.		9.0	774.9482	-0.2 mmu 
C34.H9.N9.O6.P1.Cl3.		35.0	774.9479	+0.1 mmu 
C19.H5.N21.O7.P1.Cl3.		28.0	774.9484	-0.4 mmu 
C21.H17.N7.O17.P1.Cl3.		17.0	774.9484	-0.4 mmu 
C30.H14.N5.O11.F1.P1.Cl3.		26.0	774.9477	+0.3 mmu 
C15.H10.N17.O12.F1.P1.Cl3.		19.0	774.9482	-0.2 mmu 
C24.H7.N15.O6.F2.P1.Cl3.		28.0	774.9475	+0.5 mmu 
C26.H19.N1.O16.F2.P1.Cl3.		17.0	774.9475	+0.5 mmu 
C18.N25.O1.F3.P1.Cl3.		30.0	774.9473	+0.7 mmu 
C36.H12.N3.O6.F3.P1.Cl3.		31.0	774.9481	-0.1 mmu 
C21.H8.N15.O7.F3.P1.Cl3.		24.0	774.9486	-0.6 mmu 
C20.H12.N11.O11.F3.P1.Cl3.		19.0	774.9473	+0.7 mmu 
C23.H20.N1.O17.F3.P1.Cl3.		13.0	774.9487	-0.7 mmu 
C45.H9.N1.F4.P1.Cl3.		40.0	774.9474	+0.6 mmu 
C17.H13.N11.O12.F4.P1.Cl3.		15.0	774.9484	-0.4 mmu 
C42.H10.N1.O1.F5.P1.Cl3.		36.0	774.9486	-0.6 mmu 
C26.H10.N9.O6.F5.P1.Cl3.		24.0	774.9477	+0.3 mmu 
C11.H6.N21.O7.F5.P1.Cl3.		17.0	774.9482	-0.2 mmu 
C22.H15.N5.O11.F6.P1.Cl3.		15.0	774.9475	+0.5 mmu 
C32.H8.N7.O1.F7.P1.Cl3.		29.0	774.9482	-0.2 mmu 
C17.H4.N19.O2.F7.P1.Cl3.		22.0	774.9487	-0.7 mmu 
C16.H8.N15.O6.F7.P1.Cl3.		17.0	774.9473	+0.7 mmu 
C19.H16.N5.O12.F7.P1.Cl3.		11.0	774.9487	-0.7 mmu 
C18.H20.N1.O16.F7.P1.Cl3.		6.0	774.9474	+0.6 mmu 
C28.H13.N3.O6.F8.P1.Cl3.		20.0	774.9480	+0.0 mmu 
C13.H9.N15.O7.F8.P1.Cl3.		13.0	774.9485	-0.5 mmu 
C15.H21.N1.O17.F8.P1.Cl3.		2.0	774.9485	-0.5 mmu 
C37.H10.N1.F9.P1.Cl3.		29.0	774.9473	+0.7 mmu 
C22.H6.N13.O1.F9.P1.Cl3.		22.0	774.9478	+0.2 mmu 
C34.H11.N1.O1.F10.P1.Cl3.		25.0	774.9484	-0.4 mmu 
C18.H11.N9.O6.F10.P1.Cl3.		13.0	774.9476	+0.4 mmu 
C12.H4.N19.O1.F11.P1.Cl3.		15.0	774.9474	+0.6 mmu 
C15.H12.N9.O7.F11.P1.Cl3.		9.0	774.9487	-0.7 mmu 
C14.H16.N5.O11.F11.P1.Cl3.		4.0	774.9474	+0.6 mmu 
C24.H9.N7.O1.F12.P1.Cl3.		18.0	774.9480	-0.0 mmu 
C11.H17.N5.O12.F12.P1.Cl3.		0.0	774.9485	-0.5 mmu 
C44.H10.N5.P2.Cl3.		44.0	774.9477	+0.3 mmu 
C29.H6.N17.O1.P2.Cl3.		37.0	774.9482	-0.2 mmu 
C13.H6.N25.O6.P2.Cl3.		25.0	774.9474	+0.6 mmu 
C31.H18.N3.O11.P2.Cl3.		26.0	774.9482	-0.2 mmu 
C16.H14.N15.O12.P2.Cl3.		19.0	774.9487	-0.7 mmu 
C15.H18.N11.O16.P2.Cl3.		14.0	774.9474	+0.6 mmu 
C40.H15.N1.O5.F1.P2.Cl3.		35.0	774.9475	+0.5 mmu 
C25.H11.N13.O6.F1.P2.Cl3.		28.0	774.9480	-0.0 mmu 
C34.H8.N11.F2.P2.Cl3.		37.0	774.9473	+0.7 mmu 
C19.H4.N23.O1.F2.P2.Cl3.		30.0	774.9478	+0.2 mmu 
C37.H16.N1.O6.F2.P2.Cl3.		31.0	774.9486	-0.6 mmu 
C21.H16.N9.O11.F2.P2.Cl3.		19.0	774.9478	+0.2 mmu 
C31.H9.N11.O1.F3.P2.Cl3.		33.0	774.9484	-0.4 mmu 
C15.H9.N19.O6.F3.P2.Cl3.		21.0	774.9476	+0.4 mmu 
C17.H21.N5.O16.F3.P2.Cl3.		10.0	774.9476	+0.4 mmu 
C27.H14.N7.O6.F4.P2.Cl3.		24.0	774.9483	-0.3 mmu 
C12.H10.N19.O7.F4.P2.Cl3.		17.0	774.9488	-0.8 mmu 
C11.H14.N15.O11.F4.P2.Cl3.		12.0	774.9474	+0.6 mmu 
C36.H11.N5.F5.P2.Cl3.		33.0	774.9475	+0.5 mmu 
C21.H7.N17.O1.F5.P2.Cl3.		26.0	774.9480	-0.0 mmu 
C23.H19.N3.O11.F5.P2.Cl3.		15.0	774.9481	-0.1 mmu 
C33.H12.N5.O1.F6.P2.Cl3.		29.0	774.9487	-0.7 mmu 
C32.H16.N1.O5.F6.P2.Cl3.		24.0	774.9473	+0.7 mmu 
C17.H12.N13.O6.F6.P2.Cl3.		17.0	774.9479	+0.1 mmu 
C29.H17.N1.O6.F7.P2.Cl3.		20.0	774.9485	-0.5 mmu 
C13.H17.N9.O11.F7.P2.Cl3.		8.0	774.9477	+0.3 mmu 
C23.H10.N11.O1.F8.P2.Cl3.		22.0	774.9483	-0.3 mmu 
C19.H15.N7.O6.F9.P2.Cl3.		13.0	774.9481	-0.1 mmu 
C28.H12.N5.F10.P2.Cl3.		22.0	774.9474	+0.6 mmu 
C13.H8.N17.O1.F10.P2.Cl3.		15.0	774.9479	+0.1 mmu 
C15.H20.N3.O11.F10.P2.Cl3.		4.0	774.9479	+0.1 mmu 
C25.H13.N5.O1.F11.P2.Cl3.		18.0	774.9485	-0.5 mmu 
C9.H13.N13.O6.F11.P2.Cl3.		6.0	774.9477	+0.3 mmu 
C21.H18.N1.O6.F12.P2.Cl3.		9.0	774.9483	-0.3 mmu 
C26.H15.N11.O6.P3.Cl3.		28.0	774.9485	-0.5 mmu 
C10.H15.N19.O11.P3.Cl3.		16.0	774.9477	+0.3 mmu 
C35.H12.N9.F1.P3.Cl3.		37.0	774.9478	+0.2 mmu 
C20.H8.N21.O1.F1.P3.Cl3.		30.0	774.9483	-0.3 mmu 
C22.H20.N7.O11.F1.P3.Cl3.		19.0	774.9483	-0.3 mmu 
C31.H17.N5.O5.F2.P3.Cl3.		28.0	774.9476	+0.4 mmu 
C16.H13.N17.O6.F2.P3.Cl3.		21.0	774.9481	-0.1 mmu 
C18.H25.N3.O16.F2.P3.Cl3.		10.0	774.9481	-0.1 mmu 
C25.H10.N15.F3.P3.Cl3.		30.0	774.9474	+0.6 mmu 
C28.H18.N5.O6.F3.P3.Cl3.		24.0	774.9488	-0.8 mmu 
C27.H22.N1.O10.F3.P3.Cl3.		19.0	774.9474	+0.6 mmu 
C12.H18.N13.O11.F3.P3.Cl3.		12.0	774.9479	+0.1 mmu 
C37.H15.N3.F4.P3.Cl3.		33.0	774.9481	-0.1 mmu 
C22.H11.N15.O1.F4.P3.Cl3.		26.0	774.9486	-0.6 mmu 
C24.H23.N1.O11.F4.P3.Cl3.		15.0	774.9486	-0.6 mmu 
C18.H16.N11.O6.F5.P3.Cl3.		17.0	774.9484	-0.4 mmu 
C27.H13.N9.F6.P3.Cl3.		26.0	774.9477	+0.3 mmu 
C12.H9.N21.O1.F6.P3.Cl3.		19.0	774.9482	-0.2 mmu 
C14.H21.N7.O11.F6.P3.Cl3.		8.0	774.9482	-0.2 mmu 
C23.H18.N5.O5.F7.P3.Cl3.		17.0	774.9475	+0.5 mmu 
C17.H11.N15.F8.P3.Cl3.		19.0	774.9473	+0.7 mmu 
C20.H19.N5.O6.F8.P3.Cl3.		13.0	774.9486	-0.6 mmu 
C19.H23.N1.O10.F8.P3.Cl3.		8.0	774.9473	+0.7 mmu 
C29.H16.N3.F9.P3.Cl3.		22.0	774.9479	+0.1 mmu 
C14.H12.N15.O1.F9.P3.Cl3.		15.0	774.9484	-0.4 mmu 
C16.H24.N1.O11.F9.P3.Cl3.		4.0	774.9484	-0.4 mmu 
C10.H17.N11.O6.F10.P3.Cl3.		6.0	774.9482	-0.2 mmu 
C19.H14.N9.F11.P3.Cl3.		15.0	774.9475	+0.5 mmu 
C16.H15.N9.O1.F12.P3.Cl3.		11.0	774.9486	-0.6 mmu 
C15.H19.N5.O5.F12.P3.Cl3.		6.0	774.9473	+0.7 mmu 
C36.H16.N7.P4.Cl3.		37.0	774.9483	-0.3 mmu 
C20.H16.N15.O5.P4.Cl3.		25.0	774.9475	+0.5 mmu 
C22.H28.N1.O15.P4.Cl3.		14.0	774.9475	+0.5 mmu 
C14.H9.N25.F1.P4.Cl3.		27.0	774.9473	+0.7 mmu 
C32.H21.N3.O5.F1.P4.Cl3.		28.0	774.9481	-0.1 mmu 
C17.H17.N15.O6.F1.P4.Cl3.		21.0	774.9486	-0.6 mmu 
C16.H21.N11.O10.F1.P4.Cl3.		16.0	774.9473	+0.7 mmu 
C19.H29.N1.O16.F1.P4.Cl3.		10.0	774.9486	-0.6 mmu 
C26.H14.N13.F2.P4.Cl3.		30.0	774.9479	+0.1 mmu 
C13.H22.N11.O11.F2.P4.Cl3.		12.0	774.9484	-0.4 mmu 
C38.H19.N1.F3.P4.Cl3.		33.0	774.9486	-0.6 mmu 
C22.H19.N9.O5.F3.P4.Cl3.		21.0	774.9477	+0.3 mmu 
C16.H12.N19.F4.P4.Cl3.		23.0	774.9475	+0.5 mmu 
C18.H24.N5.O10.F4.P4.Cl3.		12.0	774.9475	+0.5 mmu 
C28.H17.N7.F5.P4.Cl3.		26.0	774.9482	-0.2 mmu 
C13.H13.N19.O1.F5.P4.Cl3.		19.0	774.9487	-0.7 mmu 
C15.H25.N5.O11.F5.P4.Cl3.		8.0	774.9487	-0.7 mmu 
C14.H29.N1.O15.F5.P4.Cl3.		3.0	774.9473	+0.7 mmu 
C24.H22.N3.O5.F6.P4.Cl3.		17.0	774.9480	+0.0 mmu 
C18.H15.N13.F7.P4.Cl3.		19.0	774.9478	+0.2 mmu 
C30.H20.N1.F8.P4.Cl3.		22.0	774.9484	-0.4 mmu 
C14.H20.N9.O5.F8.P4.Cl3.		10.0	774.9476	+0.4 mmu 
C20.H18.N7.F10.P4.Cl3.		15.0	774.9480	-0.0 mmu 
C16.H23.N3.O5.F11.P4.Cl3.		6.0	774.9478	+0.2 mmu 
C33.H25.N1.O5.P5.Cl3.		28.0	774.9486	-0.6 mmu 
C17.H25.N9.O10.P5.Cl3.		16.0	774.9478	+0.2 mmu 
C27.H18.N11.F1.P5.Cl3.		30.0	774.9484	-0.4 mmu 
C23.H23.N7.O5.F2.P5.Cl3.		21.0	774.9482	-0.2 mmu 
C17.H16.N17.F3.P5.Cl3.		23.0	774.9480	-0.0 mmu 
C19.H28.N3.O10.F3.P5.Cl3.		12.0	774.9480	-0.0 mmu 
C29.H21.N5.F4.P5.Cl3.		26.0	774.9487	-0.7 mmu 
C28.H25.N1.O4.F4.P5.Cl3.		21.0	774.9473	+0.7 mmu 
C25.H26.N1.O5.F5.P5.Cl3.		17.0	774.9485	-0.5 mmu 
C19.H19.N11.F6.P5.Cl3.		19.0	774.9483	-0.3 mmu 
C21.H22.N5.F9.P5.Cl3.		15.0	774.9485	-0.5 mmu 
C17.H27.N1.O5.F10.P5.Cl3.		6.0	774.9483	-0.3 mmu 
C27.H26.N5.O4.P6.Cl3.		25.0	774.9476	+0.4 mmu 
C24.H27.N5.O5.F1.P6.Cl3.		21.0	774.9487	-0.7 mmu 
C23.H31.N1.O9.F1.P6.Cl3.		16.0	774.9474	+0.6 mmu 
C20.H32.N1.O10.F2.P6.Cl3.		12.0	774.9486	-0.6 mmu 
C19.H27.N5.O4.F5.P6.Cl3.		14.0	774.9474	+0.6 mmu 
C32.H12.N7.O9.S1.Cl3.		31.0	774.9483	-0.3 mmu 
C16.H12.N15.O14.S1.Cl3.		19.0	774.9474	+0.6 mmu 
C41.H9.N5.O3.F1.S1.Cl3.		40.0	774.9476	+0.4 mmu 
C28.H17.N3.O14.F1.S1.Cl3.		22.0	774.9481	-0.1 mmu 
C13.H13.N15.O15.F1.S1.Cl3.		15.0	774.9486	-0.6 mmu 
C38.H10.N5.O4.F2.S1.Cl3.		36.0	774.9487	-0.7 mmu 
C37.H14.N1.O8.F2.S1.Cl3.		31.0	774.9474	+0.6 mmu 
C22.H10.N13.O9.F2.S1.Cl3.		24.0	774.9479	+0.1 mmu 
C34.H15.N1.O9.F3.S1.Cl3.		27.0	774.9485	-0.5 mmu 
C18.H15.N9.O14.F3.S1.Cl3.		15.0	774.9477	+0.3 mmu 
C28.H8.N11.O4.F4.S1.Cl3.		29.0	774.9483	-0.3 mmu 
C12.H8.N19.O9.F4.S1.Cl3.		17.0	774.9475	+0.5 mmu 
C24.H13.N7.O9.F5.S1.Cl3.		20.0	774.9481	-0.1 mmu 
C33.H10.N5.O3.F6.S1.Cl3.		29.0	774.9474	+0.6 mmu 
C18.H6.N17.O4.F6.S1.Cl3.		22.0	774.9479	+0.1 mmu 
C20.H18.N3.O14.F6.S1.Cl3.		11.0	774.9479	+0.1 mmu 
C30.H11.N5.O4.F7.S1.Cl3.		25.0	774.9486	-0.6 mmu 
C14.H11.N13.O9.F7.S1.Cl3.		13.0	774.9477	+0.3 mmu 
C26.H16.N1.O9.F8.S1.Cl3.		16.0	774.9484	-0.4 mmu 
C20.H9.N11.O4.F9.S1.Cl3.		18.0	774.9482	-0.2 mmu 
C16.H14.N7.O9.F10.S1.Cl3.		9.0	774.9480	+0.0 mmu 
C25.H11.N5.O3.F11.S1.Cl3.		18.0	774.9473	+0.7 mmu 
C10.H7.N17.O4.F11.S1.Cl3.		11.0	774.9478	+0.2 mmu 
C12.H19.N3.O14.F11.S1.Cl3.		0.0	774.9478	+0.2 mmu 
C22.H12.N5.O4.F12.S1.Cl3.		14.0	774.9484	-0.4 mmu 
C42.H13.N3.O3.P1.S1.Cl3.		40.0	774.9481	-0.1 mmu 
C27.H9.N15.O4.P1.S1.Cl3.		33.0	774.9486	-0.6 mmu 
C26.H13.N11.O8.P1.S1.Cl3.		28.0	774.9472	+0.8 mmu 
C29.H21.N1.O14.P1.S1.Cl3.		22.0	774.9486	-0.6 mmu 
C23.H14.N11.O9.F1.P1.S1.Cl3.		24.0	774.9484	-0.4 mmu 
C32.H11.N9.O3.F2.P1.S1.Cl3.		33.0	774.9477	+0.3 mmu 
C17.H7.N21.O4.F2.P1.S1.Cl3.		26.0	774.9482	-0.2 mmu 
C19.H19.N7.O14.F2.P1.S1.Cl3.		15.0	774.9482	-0.2 mmu 
C28.H16.N5.O8.F3.P1.S1.Cl3.		24.0	774.9475	+0.5 mmu 
C13.H12.N17.O9.F3.P1.S1.Cl3.		17.0	774.9480	+0.0 mmu 
C22.H9.N15.O3.F4.P1.S1.Cl3.		26.0	774.9473	+0.7 mmu 
C25.H17.N5.O9.F4.P1.S1.Cl3.		20.0	774.9486	-0.6 mmu 
C24.H21.N1.O13.F4.P1.S1.Cl3.		15.0	774.9473	+0.7 mmu 
C34.H14.N3.O3.F5.P1.S1.Cl3.		29.0	774.9479	+0.1 mmu 
C19.H10.N15.O4.F5.P1.S1.Cl3.		22.0	774.9484	-0.4 mmu 
C21.H22.N1.O14.F5.P1.S1.Cl3.		11.0	774.9484	-0.4 mmu 
C15.H15.N11.O9.F6.P1.S1.Cl3.		13.0	774.9482	-0.2 mmu 
C24.H12.N9.O3.F7.P1.S1.Cl3.		22.0	774.9475	+0.5 mmu 
C21.H13.N9.O4.F8.P1.S1.Cl3.		18.0	774.9487	-0.7 mmu 
C20.H17.N5.O8.F8.P1.S1.Cl3.		13.0	774.9473	+0.7 mmu 
C17.H18.N5.O9.F9.P1.S1.Cl3.		9.0	774.9485	-0.5 mmu 
C26.H15.N3.O3.F10.P1.S1.Cl3.		18.0	774.9478	+0.2 mmu 
C11.H11.N15.O4.F10.P1.S1.Cl3.		11.0	774.9483	-0.3 mmu 
C13.H23.N1.O14.F10.P1.S1.Cl3.		0.0	774.9483	-0.3 mmu 
C16.H13.N9.O3.F12.P1.S1.Cl3.		11.0	774.9474	+0.6 mmu 
C21.H10.N19.O3.P2.S1.Cl3.		30.0	774.9476	+0.4 mmu 
C23.H22.N5.O13.P2.S1.Cl3.		19.0	774.9476	+0.4 mmu 
C33.H15.N7.O3.F1.P2.S1.Cl3.		33.0	774.9482	-0.2 mmu 
C18.H11.N19.O4.F1.P2.S1.Cl3.		26.0	774.9487	-0.7 mmu 
C17.H15.N15.O8.F1.P2.S1.Cl3.		21.0	774.9474	+0.6 mmu 
C20.H23.N5.O14.F1.P2.S1.Cl3.		15.0	774.9487	-0.7 mmu 
C19.H27.N1.O18.F1.P2.S1.Cl3.		10.0	774.9474	+0.6 mmu 
C29.H20.N3.O8.F2.P2.S1.Cl3.		24.0	774.9480	+0.0 mmu 
C14.H16.N15.O9.F2.P2.S1.Cl3.		17.0	774.9485	-0.5 mmu 
C16.H28.N1.O19.F2.P2.S1.Cl3.		6.0	774.9485	-0.5 mmu 
C38.H17.N1.O2.F3.P2.S1.Cl3.		33.0	774.9473	+0.7 mmu 
C23.H13.N13.O3.F3.P2.S1.Cl3.		26.0	774.9478	+0.2 mmu 
C35.H18.N1.O3.F4.P2.S1.Cl3.		29.0	774.9484	-0.4 mmu 
C19.H18.N9.O8.F4.P2.S1.Cl3.		17.0	774.9476	+0.4 mmu 
C13.H11.N19.O3.F5.P2.S1.Cl3.		19.0	774.9474	+0.6 mmu 
C16.H19.N9.O9.F5.P2.S1.Cl3.		13.0	774.9487	-0.7 mmu 
C15.H23.N5.O13.F5.P2.S1.Cl3.		8.0	774.9474	+0.6 mmu 
C25.H16.N7.O3.F6.P2.S1.Cl3.		22.0	774.9480	-0.0 mmu 
C10.H12.N19.O4.F6.P2.S1.Cl3.		15.0	774.9485	-0.5 mmu 
C12.H24.N5.O14.F6.P2.S1.Cl3.		4.0	774.9485	-0.5 mmu 
C21.H21.N3.O8.F7.P2.S1.Cl3.		13.0	774.9478	+0.2 mmu 
C15.H14.N13.O3.F8.P2.S1.Cl3.		15.0	774.9476	+0.4 mmu 
C27.H19.N1.O3.F9.P2.S1.Cl3.		18.0	774.9483	-0.3 mmu 
C11.H19.N9.O8.F9.P2.S1.Cl3.		6.0	774.9474	+0.6 mmu 
C8.H20.N9.O9.F10.P2.S1.Cl3.		2.0	774.9486	-0.6 mmu 
C17.H17.N7.O3.F11.P2.S1.Cl3.		11.0	774.9479	+0.1 mmu 
C13.H22.N3.O8.F12.P2.S1.Cl3.		2.0	774.9477	+0.3 mmu 
C34.H19.N5.O3.P3.S1.Cl3.		33.0	774.9487	-0.7 mmu 
C33.H23.N1.O7.P3.S1.Cl3.		28.0	774.9474	+0.6 mmu 
C18.H19.N13.O8.P3.S1.Cl3.		21.0	774.9479	+0.1 mmu 
C12.H12.N23.O3.F1.P3.S1.Cl3.		23.0	774.9477	+0.3 mmu 
C30.H24.N1.O8.F1.P3.S1.Cl3.		24.0	774.9485	-0.5 mmu 
C14.H24.N9.O13.F1.P3.S1.Cl3.		12.0	774.9477	+0.3 mmu 
C24.H17.N11.O3.F2.P3.S1.Cl3.		26.0	774.9483	-0.3 mmu 
C20.H22.N7.O8.F3.P3.S1.Cl3.		17.0	774.9481	-0.1 mmu 
C29.H19.N5.O2.F4.P3.S1.Cl3.		26.0	774.9474	+0.6 mmu 
C14.H15.N17.O3.F4.P3.S1.Cl3.		19.0	774.9479	+0.1 mmu 
C16.H27.N3.O13.F4.P3.S1.Cl3.		8.0	774.9479	+0.1 mmu 
C26.H20.N5.O3.F5.P3.S1.Cl3.		22.0	774.9485	-0.5 mmu 
C10.H20.N13.O8.F5.P3.S1.Cl3.		10.0	774.9477	+0.3 mmu 
C22.H25.N1.O8.F6.P3.S1.Cl3.		13.0	774.9483	-0.3 mmu 
C16.H18.N11.O3.F7.P3.S1.Cl3.		15.0	774.9481	-0.1 mmu 
C12.H23.N7.O8.F8.P3.S1.Cl3.		6.0	774.9479	+0.1 mmu 
C21.H20.N5.O2.F9.P3.S1.Cl3.		15.0	774.9472	+0.8 mmu 
C18.H21.N5.O3.F10.P3.S1.Cl3.		11.0	774.9484	-0.4 mmu 
C14.H26.N1.O8.F11.P3.S1.Cl3.		2.0	774.9482	-0.2 mmu 
C28.H20.N9.O2.P4.S1.Cl3.		30.0	774.9477	+0.3 mmu 
C13.H16.N21.O3.P4.S1.Cl3.		23.0	774.9482	-0.2 mmu 
C15.H28.N7.O13.P4.S1.Cl3.		12.0	774.9482	-0.2 mmu 
C24.H25.N5.O7.F1.P4.S1.Cl3.		21.0	774.9475	+0.5 mmu 
C18.H18.N15.O2.F2.P4.S1.Cl3.		23.0	774.9473	+0.7 mmu 
C21.H26.N5.O8.F2.P4.S1.Cl3.		17.0	774.9486	-0.6 mmu 
C20.H30.N1.O12.F2.P4.S1.Cl3.		12.0	774.9473	+0.7 mmu 
C30.H23.N3.O2.F3.P4.S1.Cl3.		26.0	774.9479	+0.1 mmu 
C15.H19.N15.O3.F3.P4.S1.Cl3.		19.0	774.9484	-0.4 mmu 
C17.H31.N1.O13.F3.P4.S1.Cl3.		8.0	774.9484	-0.4 mmu 
C20.H21.N9.O2.F5.P4.S1.Cl3.		19.0	774.9475	+0.5 mmu 
C17.H22.N9.O3.F6.P4.S1.Cl3.		15.0	774.9487	-0.7 mmu 
C16.H26.N5.O7.F6.P4.S1.Cl3.		10.0	774.9473	+0.7 mmu 
C13.H27.N5.O8.F7.P4.S1.Cl3.		6.0	774.9485	-0.5 mmu 
C22.H24.N3.O2.F8.P4.S1.Cl3.		15.0	774.9478	+0.2 mmu 
C25.H29.N3.O7.P5.S1.Cl3.		21.0	774.9480	+0.0 mmu 
C34.H26.N1.O1.F1.P5.S1.Cl3.		30.0	774.9473	+0.7 mmu 
C19.H22.N13.O2.F1.P5.S1.Cl3.		23.0	774.9478	+0.2 mmu 
C31.H27.N1.O2.F2.P5.S1.Cl3.		26.0	774.9484	-0.4 mmu 
C21.H25.N7.O2.F4.P5.S1.Cl3.		19.0	774.9480	-0.0 mmu 
C17.H30.N3.O7.F5.P5.S1.Cl3.		10.0	774.9478	+0.2 mmu 
C23.H28.N1.O2.F7.P5.S1.Cl3.		15.0	774.9483	-0.3 mmu 
C20.H26.N11.O2.P6.S1.Cl3.		23.0	774.9483	-0.3 mmu 
C25.H28.N5.O1.F2.P6.S1.Cl3.		23.0	774.9474	+0.6 mmu 
C22.H29.N5.O2.F3.P6.S1.Cl3.		19.0	774.9485	-0.5 mmu 
C26.H32.N3.O1.F1.P7.S1.Cl3.		23.0	774.9479	+0.1 mmu 
C27.H36.N1.O1.P8.S1.Cl3.		23.0	774.9484	-0.4 mmu 
C40.H16.N1.O6.S2.Cl3.		36.0	774.9485	-0.5 mmu 
C24.H16.N9.O11.S2.Cl3.		24.0	774.9476	+0.4 mmu 
C34.H9.N11.O1.F1.S2.Cl3.		38.0	774.9483	-0.3 mmu 
C19.H5.N23.O2.F1.S2.Cl3.		31.0	774.9488	-0.8 mmu 
C18.H9.N19.O6.F1.S2.Cl3.		26.0	774.9474	+0.6 mmu 
C21.H17.N9.O12.F1.S2.Cl3.		20.0	774.9488	-0.8 mmu 
C20.H21.N5.O16.F1.S2.Cl3.		15.0	774.9474	+0.6 mmu 
C30.H14.N7.O6.F2.S2.Cl3.		29.0	774.9481	-0.1 mmu 
C15.H10.N19.O7.F2.S2.Cl3.		22.0	774.9486	-0.6 mmu 
C14.H14.N15.O11.F2.S2.Cl3.		17.0	774.9472	+0.8 mmu 
C17.H22.N5.O17.F2.S2.Cl3.		11.0	774.9486	-0.6 mmu 
C39.H11.N5.F3.S2.Cl3.		38.0	774.9474	+0.6 mmu 
C24.H7.N17.O1.F3.S2.Cl3.		31.0	774.9479	+0.1 mmu 
C26.H19.N3.O11.F3.S2.Cl3.		20.0	774.9479	+0.1 mmu 
C11.H15.N15.O12.F3.S2.Cl3.		13.0	774.9484	-0.4 mmu 
C36.H12.N5.O1.F4.S2.Cl3.		34.0	774.9485	-0.5 mmu 
C20.H12.N13.O6.F4.S2.Cl3.		22.0	774.9477	+0.3 mmu 
C14.H5.N23.O1.F5.S2.Cl3.		24.0	774.9475	+0.5 mmu 
C32.H17.N1.O6.F5.S2.Cl3.		25.0	774.9483	-0.3 mmu 
C16.H17.N9.O11.F5.S2.Cl3.		13.0	774.9475	+0.5 mmu 
C26.H10.N11.O1.F6.S2.Cl3.		27.0	774.9481	-0.1 mmu 
C10.H10.N19.O6.F6.S2.Cl3.		15.0	774.9473	+0.7 mmu 
C13.H18.N9.O12.F6.S2.Cl3.		9.0	774.9486	-0.6 mmu 
C22.H15.N7.O6.F7.S2.Cl3.		18.0	774.9479	+0.1 mmu 
C16.H8.N17.O1.F8.S2.Cl3.		20.0	774.9477	+0.3 mmu 
C18.H20.N3.O11.F8.S2.Cl3.		9.0	774.9477	+0.3 mmu 
C28.H13.N5.O1.F9.S2.Cl3.		23.0	774.9483	-0.3 mmu 
C12.H13.N13.O6.F9.S2.Cl3.		11.0	774.9475	+0.5 mmu 
C24.H18.N1.O6.F10.S2.Cl3.		14.0	774.9481	-0.1 mmu 
C9.H14.N13.O7.F10.S2.Cl3.		7.0	774.9486	-0.6 mmu 
C18.H11.N11.O1.F11.S2.Cl3.		16.0	774.9479	+0.1 mmu 
C14.H16.N7.O6.F12.S2.Cl3.		7.0	774.9477	+0.3 mmu 
C35.H13.N9.O1.P1.S2.Cl3.		38.0	774.9488	-0.8 mmu 
C34.H17.N5.O5.P1.S2.Cl3.		33.0	774.9474	+0.6 mmu 
C19.H13.N17.O6.P1.S2.Cl3.		26.0	774.9479	+0.1 mmu 
C21.H25.N3.O16.P1.S2.Cl3.		15.0	774.9479	+0.1 mmu 
C31.H18.N5.O6.F1.P1.S2.Cl3.		29.0	774.9486	-0.6 mmu 
C30.H22.N1.O10.F1.P1.S2.Cl3.		24.0	774.9472	+0.8 mmu 
C15.H18.N13.O11.F1.P1.S2.Cl3.		17.0	774.9477	+0.3 mmu 
C40.H15.N3.F2.P1.S2.Cl3.		38.0	774.9479	+0.1 mmu 
C25.H11.N15.O1.F2.P1.S2.Cl3.		31.0	774.9484	-0.4 mmu 
C27.H23.N1.O11.F2.P1.S2.Cl3.		20.0	774.9484	-0.4 mmu 
C21.H16.N11.O6.F3.P1.S2.Cl3.		22.0	774.9482	-0.2 mmu 
C30.H13.N9.F4.P1.S2.Cl3.		31.0	774.9475	+0.5 mmu 
C15.H9.N21.O1.F4.P1.S2.Cl3.		24.0	774.9480	+0.0 mmu 
C17.H21.N7.O11.F4.P1.S2.Cl3.		13.0	774.9480	+0.0 mmu 
C27.H14.N9.O1.F5.P1.S2.Cl3.		27.0	774.9486	-0.6 mmu 
C26.H18.N5.O5.F5.P1.S2.Cl3.		22.0	774.9473	+0.7 mmu 
C11.H14.N17.O6.F5.P1.S2.Cl3.		15.0	774.9478	+0.2 mmu 
C23.H19.N5.O6.F6.P1.S2.Cl3.		18.0	774.9484	-0.4 mmu 
C32.H16.N3.F7.P1.S2.Cl3.		27.0	774.9477	+0.3 mmu 
C17.H12.N15.O1.F7.P1.S2.Cl3.		20.0	774.9482	-0.2 mmu 
C19.H24.N1.O11.F7.P1.S2.Cl3.		9.0	774.9482	-0.2 mmu 
C13.H17.N11.O6.F8.P1.S2.Cl3.		11.0	774.9480	-0.0 mmu 
C22.H14.N9.F9.P1.S2.Cl3.		20.0	774.9473	+0.7 mmu 
C19.H15.N9.O1.F10.P1.S2.Cl3.		16.0	774.9484	-0.4 mmu 
C15.H20.N5.O6.F11.P1.S2.Cl3.		7.0	774.9483	-0.3 mmu 
C24.H17.N3.F12.P1.S2.Cl3.		16.0	774.9475	+0.5 mmu 
C9.H13.N15.O1.F12.P1.S2.Cl3.		9.0	774.9480	-0.0 mmu 
C29.H14.N13.P2.S2.Cl3.		35.0	774.9477	+0.3 mmu 
C14.H10.N25.O1.P2.S2.Cl3.		28.0	774.9482	-0.2 mmu 
C16.H22.N11.O11.P2.S2.Cl3.		17.0	774.9482	-0.2 mmu 
C41.H19.N1.F1.P2.S2.Cl3.		38.0	774.9484	-0.4 mmu 
C25.H19.N9.O5.F1.P2.S2.Cl3.		26.0	774.9475	+0.5 mmu 
C19.H12.N19.F2.P2.S2.Cl3.		28.0	774.9473	+0.7 mmu 
C22.H20.N9.O6.F2.P2.S2.Cl3.		22.0	774.9487	-0.7 mmu 
C21.H24.N5.O10.F2.P2.S2.Cl3.		17.0	774.9473	+0.7 mmu 
C31.H17.N7.F3.P2.S2.Cl3.		31.0	774.9480	+0.0 mmu 
C16.H13.N19.O1.F3.P2.S2.Cl3.		24.0	774.9485	-0.5 mmu 
C18.H25.N5.O11.F3.P2.S2.Cl3.		13.0	774.9485	-0.5 mmu 
C27.H22.N3.O5.F4.P2.S2.Cl3.		22.0	774.9478	+0.2 mmu 
C12.H18.N15.O6.F4.P2.S2.Cl3.		15.0	774.9483	-0.3 mmu 
C14.H30.N1.O16.F4.P2.S2.Cl3.		4.0	774.9483	-0.3 mmu 
C21.H15.N13.F5.P2.S2.Cl3.		24.0	774.9476	+0.4 mmu 
C33.H20.N1.F6.P2.S2.Cl3.		27.0	774.9482	-0.2 mmu 
C18.H16.N13.O1.F6.P2.S2.Cl3.		20.0	774.9487	-0.7 mmu 
C17.H20.N9.O5.F6.P2.S2.Cl3.		15.0	774.9474	+0.6 mmu 
C14.H21.N9.O6.F7.P2.S2.Cl3.		11.0	774.9485	-0.5 mmu 
C23.H18.N7.F8.P2.S2.Cl3.		20.0	774.9478	+0.2 mmu 
C10.H26.N5.O11.F8.P2.S2.Cl3.		2.0	774.9483	-0.3 mmu 
C19.H23.N3.O5.F9.P2.S2.Cl3.		11.0	774.9476	+0.4 mmu 
C13.H16.N13.F10.P2.S2.Cl3.		13.0	774.9474	+0.6 mmu 
C16.H24.N3.O6.F10.P2.S2.Cl3.		7.0	774.9488	-0.8 mmu 
C25.H21.N1.F11.P2.S2.Cl3.		16.0	774.9481	-0.1 mmu 
C10.H17.N13.O1.F11.P2.S2.Cl3.		9.0	774.9486	-0.6 mmu 
C26.H23.N7.O5.P3.S2.Cl3.		26.0	774.9481	-0.1 mmu 
C11.H19.N19.O6.P3.S2.Cl3.		19.0	774.9486	-0.6 mmu 
C20.H16.N17.F1.P3.S2.Cl3.		28.0	774.9478	+0.2 mmu 
C22.H28.N3.O10.F1.P3.S2.Cl3.		17.0	774.9479	+0.1 mmu 
C32.H21.N5.F2.P3.S2.Cl3.		31.0	774.9485	-0.5 mmu 
C16.H21.N13.O5.F2.P3.S2.Cl3.		19.0	774.9477	+0.3 mmu 
C28.H26.N1.O5.F3.P3.S2.Cl3.		22.0	774.9483	-0.3 mmu 
C12.H26.N9.O10.F3.P3.S2.Cl3.		10.0	774.9475	+0.5 mmu 
C22.H19.N11.F4.P3.S2.Cl3.		24.0	774.9481	-0.1 mmu 
C18.H24.N7.O5.F5.P3.S2.Cl3.		15.0	774.9479	+0.1 mmu 
C12.H17.N17.F6.P3.S2.Cl3.		17.0	774.9477	+0.3 mmu 
C14.H29.N3.O10.F6.P3.S2.Cl3.		6.0	774.9477	+0.3 mmu 
C24.H22.N5.F7.P3.S2.Cl3.		20.0	774.9483	-0.3 mmu 
C20.H27.N1.O5.F8.P3.S2.Cl3.		11.0	774.9481	-0.1 mmu 
C14.H20.N11.F9.P3.S2.Cl3.		13.0	774.9479	+0.1 mmu 
C10.H25.N7.O5.F10.P3.S2.Cl3.		4.0	774.9477	+0.3 mmu 
C16.H23.N5.F12.P3.S2.Cl3.		9.0	774.9482	-0.2 mmu 
C21.H20.N15.P4.S2.Cl3.		28.0	774.9484	-0.4 mmu 
C23.H32.N1.O10.P4.S2.Cl3.		17.0	774.9484	-0.4 mmu 
C17.H25.N11.O5.F1.P4.S2.Cl3.		19.0	774.9482	-0.2 mmu 
C13.H30.N7.O10.F2.P4.S2.Cl3.		10.0	774.9480	+0.0 mmu 
C23.H23.N9.F3.P4.S2.Cl3.		24.0	774.9486	-0.6 mmu 
C22.H27.N5.O4.F3.P4.S2.Cl3.		19.0	774.9473	+0.7 mmu 
C19.H28.N5.O5.F4.P4.S2.Cl3.		15.0	774.9484	-0.4 mmu 
C13.H21.N15.F5.P4.S2.Cl3.		17.0	774.9482	-0.2 mmu 
C15.H33.N1.O10.F5.P4.S2.Cl3.		6.0	774.9482	-0.2 mmu 
C15.H24.N9.F8.P4.S2.Cl3.		13.0	774.9484	-0.4 mmu 
C17.H27.N3.F11.P4.S2.Cl3.		9.0	774.9487	-0.7 mmu 
C18.H29.N9.O5.P5.S2.Cl3.		19.0	774.9487	-0.7 mmu 
C17.H33.N5.O9.P5.S2.Cl3.		14.0	774.9473	+0.7 mmu 
C23.H31.N3.O4.F2.P5.S2.Cl3.		19.0	774.9478	+0.2 mmu 
C24.H35.N1.O4.F1.P6.S2.Cl3.		19.0	774.9483	-0.3 mmu 
C32.H20.N3.O8.S3.Cl3.		29.0	774.9478	+0.2 mmu 
C17.H16.N15.O9.S3.Cl3.		22.0	774.9483	-0.3 mmu 
C19.H28.N1.O19.S3.Cl3.		11.0	774.9483	-0.3 mmu 
C26.H13.N13.O3.F1.S3.Cl3.		31.0	774.9476	+0.4 mmu 
C13.H21.N11.O14.F1.S3.Cl3.		13.0	774.9481	-0.1 mmu 
C38.H18.N1.O3.F2.S3.Cl3.		34.0	774.9482	-0.2 mmu 
C23.H14.N13.O4.F2.S3.Cl3.		27.0	774.9487	-0.7 mmu 
C22.H18.N9.O8.F2.S3.Cl3.		22.0	774.9474	+0.6 mmu 
C19.H19.N9.O9.F3.S3.Cl3.		18.0	774.9486	-0.6 mmu 
C28.H16.N7.O3.F4.S3.Cl3.		27.0	774.9478	+0.2 mmu 
C13.H12.N19.O4.F4.S3.Cl3.		20.0	774.9483	-0.3 mmu 
C15.H24.N5.O14.F4.S3.Cl3.		9.0	774.9484	-0.4 mmu 
C24.H21.N3.O8.F5.S3.Cl3.		18.0	774.9477	+0.3 mmu 
C9.H17.N15.O9.F5.S3.Cl3.		11.0	774.9482	-0.2 mmu 
C18.H14.N13.O3.F6.S3.Cl3.		20.0	774.9474	+0.6 mmu 
C30.H19.N1.O3.F7.S3.Cl3.		23.0	774.9481	-0.1 mmu 
C15.H15.N13.O4.F7.S3.Cl3.		16.0	774.9486	-0.6 mmu 
C14.H19.N9.O8.F7.S3.Cl3.		11.0	774.9473	+0.7 mmu 
C11.H20.N9.O9.F8.S3.Cl3.		7.0	774.9484	-0.4 mmu 
C20.H17.N7.O3.F9.S3.Cl3.		16.0	774.9477	+0.3 mmu 
C16.H22.N3.O8.F10.S3.Cl3.		7.0	774.9475	+0.5 mmu 
C10.H15.N13.O3.F11.S3.Cl3.		9.0	774.9473	+0.7 mmu 
C13.H23.N3.O9.F11.S3.Cl3.		3.0	774.9486	-0.6 mmu 
C22.H20.N1.O3.F12.S3.Cl3.		12.0	774.9479	+0.1 mmu 
C7.H16.N13.O4.F12.S3.Cl3.		5.0	774.9484	-0.4 mmu 
C27.H17.N11.O3.P1.S3.Cl3.		31.0	774.9481	-0.1 mmu 
C12.H13.N23.O4.P1.S3.Cl3.		24.0	774.9486	-0.6 mmu 
C11.H17.N19.O8.P1.S3.Cl3.		19.0	774.9473	+0.7 mmu 
C14.H25.N9.O14.P1.S3.Cl3.		13.0	774.9486	-0.6 mmu 
C23.H22.N7.O8.F1.P1.S3.Cl3.		22.0	774.9479	+0.1 mmu 
C17.H15.N17.O3.F2.P1.S3.Cl3.		24.0	774.9477	+0.3 mmu 
C19.H27.N3.O13.F2.P1.S3.Cl3.		13.0	774.9477	+0.3 mmu 
C29.H20.N5.O3.F3.P1.S3.Cl3.		27.0	774.9484	-0.4 mmu 
C13.H20.N13.O8.F3.P1.S3.Cl3.		15.0	774.9475	+0.5 mmu 
C25.H25.N1.O8.F4.P1.S3.Cl3.		18.0	774.9482	-0.2 mmu 
C10.H21.N13.O9.F4.P1.S3.Cl3.		11.0	774.9487	-0.7 mmu 
C19.H18.N11.O3.F5.P1.S3.Cl3.		20.0	774.9480	+0.0 mmu 
C15.H23.N7.O8.F6.P1.S3.Cl3.		11.0	774.9478	+0.2 mmu 
C9.H16.N17.O3.F7.P1.S3.Cl3.		13.0	774.9476	+0.4 mmu 
C11.H28.N3.O13.F7.P1.S3.Cl3.		2.0	774.9476	+0.4 mmu 
C21.H21.N5.O3.F8.P1.S3.Cl3.		16.0	774.9482	-0.2 mmu 
C17.H26.N1.O8.F9.P1.S3.Cl3.		7.0	774.9480	-0.0 mmu 
C11.H19.N11.O3.F10.P1.S3.Cl3.		9.0	774.9478	+0.2 mmu 
C24.H26.N5.O8.P2.S3.Cl3.		22.0	774.9484	-0.4 mmu 
C33.H23.N3.O2.F1.P2.S3.Cl3.		31.0	774.9477	+0.3 mmu 
C18.H19.N15.O3.F1.P2.S3.Cl3.		24.0	774.9482	-0.2 mmu 
C20.H31.N1.O13.F1.P2.S3.Cl3.		13.0	774.9482	-0.2 mmu 
C14.H24.N11.O8.F2.P2.S3.Cl3.		15.0	774.9480	-0.0 mmu 
C23.H21.N9.O2.F3.P2.S3.Cl3.		24.0	774.9473	+0.7 mmu 
C20.H22.N9.O3.F4.P2.S3.Cl3.		20.0	774.9485	-0.5 mmu 
C16.H27.N5.O8.F5.P2.S3.Cl3.		11.0	774.9483	-0.3 mmu 
C25.H24.N3.O2.F6.P2.S3.Cl3.		20.0	774.9476	+0.4 mmu 
C10.H20.N15.O3.F6.P2.S3.Cl3.		13.0	774.9481	-0.1 mmu 
C12.H32.N1.O13.F6.P2.S3.Cl3.		2.0	774.9481	-0.1 mmu 
C22.H25.N3.O3.F7.P2.S3.Cl3.		16.0	774.9487	-0.7 mmu 
C12.H23.N9.O3.F9.P2.S3.Cl3.		9.0	774.9483	-0.3 mmu 
C17.H25.N3.O2.F11.P2.S3.Cl3.		9.0	774.9474	+0.6 mmu 
C14.H26.N3.O3.F12.P2.S3.Cl3.		5.0	774.9485	-0.5 mmu 
C34.H27.N1.O2.P3.S3.Cl3.		31.0	774.9482	-0.2 mmu 
C19.H23.N13.O3.P3.S3.Cl3.		24.0	774.9487	-0.7 mmu 
C18.H27.N9.O7.P3.S3.Cl3.		19.0	774.9474	+0.6 mmu 
C15.H28.N9.O8.F1.P3.S3.Cl3.		15.0	774.9485	-0.5 mmu 
C24.H25.N7.O2.F2.P3.S3.Cl3.		24.0	774.9478	+0.2 mmu 
C11.H33.N5.O13.F2.P3.S3.Cl3.		6.0	774.9483	-0.3 mmu 
C20.H30.N3.O7.F3.P3.S3.Cl3.		15.0	774.9476	+0.4 mmu 
C14.H23.N13.O2.F4.P3.S3.Cl3.		17.0	774.9474	+0.6 mmu 
C26.H28.N1.O2.F5.P3.S3.Cl3.		20.0	774.9481	-0.1 mmu 
C11.H24.N13.O3.F5.P3.S3.Cl3.		13.0	774.9486	-0.6 mmu 
C10.H28.N9.O7.F5.P3.S3.Cl3.		8.0	774.9472	+0.8 mmu 
C16.H26.N7.O2.F7.P3.S3.Cl3.		13.0	774.9477	+0.3 mmu 
C12.H31.N3.O7.F8.P3.S3.Cl3.		4.0	774.9475	+0.5 mmu 
C18.H29.N1.O2.F10.P3.S3.Cl3.		9.0	774.9479	+0.1 mmu 
C13.H24.N17.O2.P4.S3.Cl3.		21.0	774.9477	+0.3 mmu 
C15.H36.N3.O12.P4.S3.Cl3.		10.0	774.9477	+0.3 mmu 
C25.H29.N5.O2.F1.P4.S3.Cl3.		24.0	774.9483	-0.3 mmu 
C21.H34.N1.O7.F2.P4.S3.Cl3.		15.0	774.9482	-0.2 mmu 
C15.H27.N11.O2.F3.P4.S3.Cl3.		17.0	774.9479	+0.1 mmu 
C17.H30.N5.O2.F6.P4.S3.Cl3.		13.0	774.9482	-0.2 mmu 
C13.H35.N1.O7.F7.P4.S3.Cl3.		4.0	774.9480	+0.0 mmu 
C19.H30.N9.O1.F1.P5.S3.Cl3.		21.0	774.9473	+0.7 mmu 
C16.H31.N9.O2.F2.P5.S3.Cl3.		17.0	774.9485	-0.5 mmu 
C21.H33.N3.O1.F4.P5.S3.Cl3.		17.0	774.9476	+0.4 mmu 
C18.H34.N3.O2.F5.P5.S3.Cl3.		13.0	774.9487	-0.7 mmu 
C20.H34.N7.O1.P6.S3.Cl3.		21.0	774.9478	+0.2 mmu 
C22.H37.N1.O1.F3.P6.S3.Cl3.		17.0	774.9481	-0.1 mmu 
C25.H20.N9.O6.S4.Cl3.		27.0	774.9485	-0.5 mmu 
C34.H17.N7.F1.S4.Cl3.		36.0	774.9478	+0.2 mmu 
C19.H13.N19.O1.F1.S4.Cl3.		29.0	774.9483	-0.3 mmu 
C21.H25.N5.O11.F1.S4.Cl3.		18.0	774.9483	-0.3 mmu 
C30.H22.N3.O5.F2.S4.Cl3.		27.0	774.9476	+0.4 mmu 
C15.H18.N15.O6.F2.S4.Cl3.		20.0	774.9481	-0.1 mmu 
C17.H30.N1.O16.F2.S4.Cl3.		9.0	774.9481	-0.1 mmu 
C24.H15.N13.F3.S4.Cl3.		29.0	774.9474	+0.6 mmu 
C27.H23.N3.O6.F3.S4.Cl3.		23.0	774.9487	-0.7 mmu 
C11.H23.N11.O11.F3.S4.Cl3.		11.0	774.9479	+0.1 mmu 
C36.H20.N1.F4.S4.Cl3.		32.0	774.9480	-0.0 mmu 
C21.H16.N13.O1.F4.S4.Cl3.		25.0	774.9485	-0.5 mmu 
C17.H21.N9.O6.F5.S4.Cl3.		16.0	774.9483	-0.3 mmu 
C26.H18.N7.F6.S4.Cl3.		25.0	774.9476	+0.4 mmu 
C11.H14.N19.O1.F6.S4.Cl3.		18.0	774.9481	-0.1 mmu 
C13.H26.N5.O11.F6.S4.Cl3.		7.0	774.9481	-0.1 mmu 
C23.H19.N7.O1.F7.S4.Cl3.		21.0	774.9488	-0.8 mmu 
C22.H23.N3.O5.F7.S4.Cl3.		16.0	774.9474	+0.6 mmu 
C16.H16.N13.F8.S4.Cl3.		18.0	774.9472	+0.8 mmu 
C19.H24.N3.O6.F8.S4.Cl3.		12.0	774.9486	-0.6 mmu 
C28.H21.N1.F9.S4.Cl3.		21.0	774.9479	+0.1 mmu 
C13.H17.N13.O1.F9.S4.Cl3.		14.0	774.9484	-0.4 mmu 
C9.H22.N9.O6.F10.S4.Cl3.		5.0	774.9482	-0.2 mmu 
C18.H19.N7.F11.S4.Cl3.		14.0	774.9475	+0.5 mmu 
C15.H20.N7.O1.F12.S4.Cl3.		10.0	774.9486	-0.6 mmu 
C14.H24.N3.O5.F12.S4.Cl3.		5.0	774.9473	+0.7 mmu 
C35.H21.N5.P1.S4.Cl3.		36.0	774.9483	-0.3 mmu 
C19.H21.N13.O5.P1.S4.Cl3.		24.0	774.9475	+0.5 mmu 
C13.H14.N23.F1.P1.S4.Cl3.		26.0	774.9473	+0.7 mmu 
C31.H26.N1.O5.F1.P1.S4.Cl3.		27.0	774.9481	-0.1 mmu 
C16.H22.N13.O6.F1.P1.S4.Cl3.		20.0	774.9486	-0.6 mmu 
C15.H26.N9.O10.F1.P1.S4.Cl3.		15.0	774.9473	+0.7 mmu 
C25.H19.N11.F2.P1.S4.Cl3.		29.0	774.9479	+0.1 mmu 
C12.H27.N9.O11.F2.P1.S4.Cl3.		11.0	774.9484	-0.4 mmu 
C21.H24.N7.O5.F3.P1.S4.Cl3.		20.0	774.9477	+0.3 mmu 
C15.H17.N17.F4.P1.S4.Cl3.		22.0	774.9475	+0.5 mmu 
C17.H29.N3.O10.F4.P1.S4.Cl3.		11.0	774.9475	+0.5 mmu 
C27.H22.N5.F5.P1.S4.Cl3.		25.0	774.9481	-0.1 mmu 
C12.H18.N17.O1.F5.P1.S4.Cl3.		18.0	774.9486	-0.6 mmu 
C11.H22.N13.O5.F5.P1.S4.Cl3.		13.0	774.9473	+0.7 mmu 
C14.H30.N3.O11.F5.P1.S4.Cl3.		7.0	774.9487	-0.7 mmu 
C23.H27.N1.O5.F6.P1.S4.Cl3.		16.0	774.9479	+0.1 mmu 
C8.H23.N13.O6.F6.P1.S4.Cl3.		9.0	774.9484	-0.4 mmu 
C17.H20.N11.F7.P1.S4.Cl3.		18.0	774.9477	+0.3 mmu 
C13.H25.N7.O5.F8.P1.S4.Cl3.		9.0	774.9475	+0.5 mmu 
C10.H26.N7.O6.F9.P1.S4.Cl3.		5.0	774.9487	-0.7 mmu 
C19.H23.N5.F10.P1.S4.Cl3.		14.0	774.9480	+0.0 mmu 
C15.H28.N1.O5.F11.P1.S4.Cl3.		5.0	774.9478	+0.2 mmu 
C9.H21.N11.F12.P1.S4.Cl3.		7.0	774.9476	+0.4 mmu 
C14.H18.N21.P2.S4.Cl3.		26.0	774.9478	+0.2 mmu 
C16.H30.N7.O10.P2.S4.Cl3.		15.0	774.9478	+0.2 mmu 
C26.H23.N9.F1.P2.S4.Cl3.		29.0	774.9484	-0.4 mmu 
C10.H23.N17.O5.F1.P2.S4.Cl3.		17.0	774.9476	+0.4 mmu 
C22.H28.N5.O5.F2.P2.S4.Cl3.		20.0	774.9482	-0.2 mmu 
C16.H21.N15.F3.P2.S4.Cl3.		22.0	774.9480	-0.0 mmu 
C18.H33.N1.O10.F3.P2.S4.Cl3.		11.0	774.9480	-0.0 mmu 
C28.H26.N3.F4.P2.S4.Cl3.		25.0	774.9486	-0.6 mmu 
C12.H26.N11.O5.F4.P2.S4.Cl3.		13.0	774.9478	+0.2 mmu 
C18.H24.N9.F6.P2.S4.Cl3.		18.0	774.9482	-0.2 mmu 
C14.H29.N5.O5.F7.P2.S4.Cl3.		9.0	774.9481	-0.1 mmu 
C8.H22.N15.F8.P2.S4.Cl3.		11.0	774.9479	+0.1 mmu 
C20.H27.N3.F9.P2.S4.Cl3.		14.0	774.9485	-0.5 mmu 
C10.H25.N9.F11.P2.S4.Cl3.		7.0	774.9481	-0.1 mmu 
C26.H31.N3.O4.P3.S4.Cl3.		24.0	774.9476	+0.4 mmu 
C11.H27.N15.O5.P3.S4.Cl3.		17.0	774.9481	-0.1 mmu 
C13.H39.N1.O15.P3.S4.Cl3.		6.0	774.9481	-0.1 mmu 
C23.H32.N3.O5.F1.P3.S4.Cl3.		20.0	774.9487	-0.7 mmu 
C17.H25.N13.F2.P3.S4.Cl3.		22.0	774.9485	-0.5 mmu 
C13.H30.N9.O5.F3.P3.S4.Cl3.		13.0	774.9483	-0.3 mmu 
C19.H28.N7.F5.P3.S4.Cl3.		18.0	774.9488	-0.8 mmu 
C18.H32.N3.O4.F5.P3.S4.Cl3.		13.0	774.9474	+0.6 mmu 
C15.H33.N3.O5.F6.P3.S4.Cl3.		9.0	774.9486	-0.6 mmu 
C11.H29.N7.F10.P3.S4.Cl3.		7.0	774.9486	-0.6 mmu 
C13.H38.N3.O9.F2.P4.S4.Cl3.		8.0	774.9475	+0.5 mmu 
C19.H36.N1.O4.F4.P4.S4.Cl3.		13.0	774.9479	+0.1 mmu 
C33.H24.N3.O3.S5.Cl3.		32.0	774.9487	-0.7 mmu 
C17.H24.N11.O8.S5.Cl3.		20.0	774.9478	+0.2 mmu 
C11.H17.N21.O3.F1.S5.Cl3.		22.0	774.9476	+0.4 mmu 
C13.H29.N7.O13.F1.S5.Cl3.		11.0	774.9476	+0.4 mmu 
C23.H22.N9.O3.F2.S5.Cl3.		25.0	774.9483	-0.3 mmu 
C19.H27.N5.O8.F3.S5.Cl3.		16.0	774.9481	-0.1 mmu 
C28.H24.N3.O2.F4.S5.Cl3.		25.0	774.9474	+0.6 mmu 
C13.H20.N15.O3.F4.S5.Cl3.		18.0	774.9479	+0.1 mmu 
C15.H32.N1.O13.F4.S5.Cl3.		7.0	774.9479	+0.1 mmu 
C25.H25.N3.O3.F5.S5.Cl3.		21.0	774.9485	-0.5 mmu 
C9.H25.N11.O8.F5.S5.Cl3.		9.0	774.9477	+0.3 mmu 
C15.H23.N9.O3.F7.S5.Cl3.		14.0	774.9481	-0.1 mmu 
C11.H28.N5.O8.F8.S5.Cl3.		5.0	774.9479	+0.1 mmu 
C17.H26.N3.O3.F10.S5.Cl3.		10.0	774.9484	-0.4 mmu 
C27.H25.N7.O2.P1.S5.Cl3.		29.0	774.9476	+0.4 mmu 
C12.H21.N19.O3.P1.S5.Cl3.		22.0	774.9481	-0.1 mmu 
C14.H33.N5.O13.P1.S5.Cl3.		11.0	774.9482	-0.2 mmu 
C23.H30.N3.O7.F1.P1.S5.Cl3.		20.0	774.9475	+0.5 mmu 
C17.H23.N13.O2.F2.P1.S5.Cl3.		22.0	774.9472	+0.8 mmu 
C20.H31.N3.O8.F2.P1.S5.Cl3.		16.0	774.9486	-0.6 mmu 
C29.H28.N1.O2.F3.P1.S5.Cl3.		25.0	774.9479	+0.1 mmu 
C14.H24.N13.O3.F3.P1.S5.Cl3.		18.0	774.9484	-0.4 mmu 
C10.H29.N9.O8.F4.P1.S5.Cl3.		9.0	774.9482	-0.2 mmu 
C19.H26.N7.O2.F5.P1.S5.Cl3.		18.0	774.9475	+0.5 mmu 
C16.H27.N7.O3.F6.P1.S5.Cl3.		14.0	774.9486	-0.6 mmu 
C15.H31.N3.O7.F6.P1.S5.Cl3.		9.0	774.9473	+0.7 mmu 
C12.H32.N3.O8.F7.P1.S5.Cl3.		5.0	774.9484	-0.4 mmu 
C21.H29.N1.O2.F8.P1.S5.Cl3.		14.0	774.9477	+0.3 mmu 
C11.H27.N7.O2.F10.P1.S5.Cl3.		7.0	774.9473	+0.7 mmu 
C24.H34.N1.O7.P2.S5.Cl3.		20.0	774.9480	+0.0 mmu 
C18.H27.N11.O2.F1.P2.S5.Cl3.		22.0	774.9478	+0.2 mmu 
C14.H32.N7.O7.F2.P2.S5.Cl3.		13.0	774.9476	+0.4 mmu 
C11.H33.N7.O8.F3.P2.S5.Cl3.		9.0	774.9487	-0.7 mmu 
C20.H30.N5.O2.F4.P2.S5.Cl3.		18.0	774.9480	+0.0 mmu 
C16.H35.N1.O7.F5.P2.S5.Cl3.		9.0	774.9478	+0.2 mmu 
C10.H28.N11.O2.F6.P2.S5.Cl3.		11.0	774.9476	+0.4 mmu 
C12.H31.N5.O2.F9.P2.S5.Cl3.		7.0	774.9478	+0.2 mmu 
C19.H31.N9.O2.P3.S5.Cl3.		22.0	774.9483	-0.3 mmu 
C15.H36.N5.O7.F1.P3.S5.Cl3.		13.0	774.9481	-0.1 mmu 
C24.H33.N3.O1.F2.P3.S5.Cl3.		22.0	774.9474	+0.6 mmu 
C21.H34.N3.O2.F3.P3.S5.Cl3.		18.0	774.9485	-0.5 mmu 
C11.H32.N9.O2.F5.P3.S5.Cl3.		11.0	774.9481	-0.1 mmu 
C13.H35.N3.O2.F8.P3.S5.Cl3.		7.0	774.9483	-0.3 mmu 
C16.H40.N3.O7.P4.S5.Cl3.		13.0	774.9486	-0.6 mmu 
C25.H37.N1.O1.F1.P4.S5.Cl3.		22.0	774.9479	+0.1 mmu 
C17.H38.N1.O1.F6.P4.S5.Cl3.		11.0	774.9477	+0.3 mmu 
C20.H42.N3.P6.S5.Cl3.		19.0	774.9474	+0.6 mmu 
C25.H28.N5.O5.S6.Cl3.		25.0	774.9480	-0.0 mmu 
C10.H24.N17.O6.S6.Cl3.		18.0	774.9485	-0.5 mmu 
C19.H21.N15.F1.S6.Cl3.		27.0	774.9478	+0.2 mmu 
C21.H33.N1.O10.F1.S6.Cl3.		16.0	774.9478	+0.2 mmu 
C31.H26.N3.F2.S6.Cl3.		30.0	774.9485	-0.5 mmu 
C15.H26.N11.O5.F2.S6.Cl3.		18.0	774.9476	+0.4 mmu 
C12.H27.N11.O6.F3.S6.Cl3.		14.0	774.9488	-0.8 mmu 
C11.H31.N7.O10.F3.S6.Cl3.		9.0	774.9474	+0.6 mmu 
C21.H24.N9.F4.S6.Cl3.		23.0	774.9481	-0.1 mmu 
C17.H29.N5.O5.F5.S6.Cl3.		14.0	774.9479	+0.1 mmu 
C11.H22.N15.F6.S6.Cl3.		16.0	774.9477	+0.3 mmu 
C13.H34.N1.O10.F6.S6.Cl3.		5.0	774.9477	+0.3 mmu 
C23.H27.N3.F7.S6.Cl3.		19.0	774.9483	-0.3 mmu 
C13.H25.N9.F9.S6.Cl3.		12.0	774.9479	+0.1 mmu 
C15.H28.N3.F12.S6.Cl3.		8.0	774.9481	-0.1 mmu 
C20.H25.N13.P1.S6.Cl3.		27.0	774.9483	-0.3 mmu 
C16.H30.N9.O5.F1.P1.S6.Cl3.		18.0	774.9481	-0.1 mmu 
C10.H23.N19.F2.P1.S6.Cl3.		20.0	774.9479	+0.1 mmu 
C12.H35.N5.O10.F2.P1.S6.Cl3.		9.0	774.9479	+0.1 mmu 
C22.H28.N7.F3.P1.S6.Cl3.		23.0	774.9486	-0.6 mmu 
C21.H32.N3.O4.F3.P1.S6.Cl3.		18.0	774.9472	+0.8 mmu 
C18.H33.N3.O5.F4.P1.S6.Cl3.		14.0	774.9484	-0.4 mmu 
C12.H26.N13.F5.P1.S6.Cl3.		16.0	774.9482	-0.2 mmu 
C14.H29.N7.F8.P1.S6.Cl3.		12.0	774.9484	-0.4 mmu 
C16.H32.N1.F11.P1.S6.Cl3.		8.0	774.9487	-0.7 mmu 
C17.H34.N7.O5.P2.S6.Cl3.		18.0	774.9486	-0.6 mmu 
C16.H38.N3.O9.P2.S6.Cl3.		13.0	774.9473	+0.7 mmu 
C11.H27.N17.F1.P2.S6.Cl3.		20.0	774.9484	-0.4 mmu 
C13.H39.N3.O10.F1.P2.S6.Cl3.		9.0	774.9485	-0.5 mmu 
C22.H36.N1.O4.F2.P2.S6.Cl3.		18.0	774.9477	+0.3 mmu 
C13.H30.N11.F4.P2.S6.Cl3.		16.0	774.9487	-0.7 mmu 
C12.H34.N7.O4.F4.P2.S6.Cl3.		11.0	774.9473	+0.7 mmu 
C14.H37.N1.O4.F7.P2.S6.Cl3.		7.0	774.9476	+0.4 mmu 
C13.H38.N5.O4.F3.P3.S6.Cl3.		11.0	774.9479	+0.1 mmu 
C14.H42.N3.O4.F2.P4.S6.Cl3.		11.0	774.9484	-0.4 mmu 
C18.H45.N1.O3.P5.S6.Cl3.		15.0	774.9477	+0.3 mmu 
C18.H28.N11.O3.S7.Cl3.		23.0	774.9487	-0.7 mmu 
C17.H32.N7.O7.S7.Cl3.		18.0	774.9474	+0.6 mmu 
C14.H33.N7.O8.F1.S7.Cl3.		14.0	774.9485	-0.5 mmu 
C23.H30.N5.O2.F2.S7.Cl3.		23.0	774.9478	+0.2 mmu 
C19.H35.N1.O7.F3.S7.Cl3.		14.0	774.9476	+0.4 mmu 
C13.H28.N11.O2.F4.S7.Cl3.		16.0	774.9474	+0.6 mmu 
C16.H36.N1.O8.F4.S7.Cl3.		10.0	774.9488	-0.8 mmu 
C15.H31.N5.O2.F7.S7.Cl3.		12.0	774.9477	+0.3 mmu 
C12.H29.N15.O2.P1.S7.Cl3.		20.0	774.9477	+0.3 mmu 
C14.H41.N1.O12.P1.S7.Cl3.		9.0	774.9477	+0.3 mmu 
C24.H34.N3.O2.F1.P1.S7.Cl3.		23.0	774.9483	-0.3 mmu 
C14.H32.N9.O2.F3.P1.S7.Cl3.		16.0	774.9479	+0.1 mmu 
C16.H35.N3.O2.F6.P1.S7.Cl3.		12.0	774.9482	-0.2 mmu 
C18.H35.N7.O1.F1.P2.S7.Cl3.		20.0	774.9473	+0.7 mmu 
C15.H36.N7.O2.F2.P2.S7.Cl3.		16.0	774.9484	-0.4 mmu 
C20.H38.N1.O1.F4.P2.S7.Cl3.		16.0	774.9475	+0.5 mmu 
C17.H39.N1.O2.F5.P2.S7.Cl3.		12.0	774.9487	-0.7 mmu 
C19.H39.N5.O1.P3.S7.Cl3.		20.0	774.9478	+0.2 mmu 
C15.H44.N1.O6.F1.P3.S7.Cl3.		11.0	774.9476	+0.4 mmu 
C16.H47.N1.F2.P5.S7.Cl3.		13.0	774.9475	+0.5 mmu 
C25.H36.N1.O4.S8.Cl3.		23.0	774.9476	+0.4 mmu 
C22.H37.N1.O5.F1.S8.Cl3.		19.0	774.9487	-0.7 mmu 
C16.H30.N11.F2.S8.Cl3.		21.0	774.9485	-0.5 mmu 
C18.H33.N5.F5.S8.Cl3.		17.0	774.9487	-0.7 mmu 
C17.H37.N1.O4.F5.S8.Cl3.		12.0	774.9474	+0.6 mmu 
C14.H38.N1.O5.F6.S8.Cl3.		8.0	774.9485	-0.5 mmu 
C16.H38.N5.O4.F1.P1.S8.Cl3.		16.0	774.9477	+0.3 mmu 
C17.H42.N3.O4.P2.S8.Cl3.		16.0	774.9482	-0.2 mmu 
C18.H36.N7.O2.S9.Cl3.		21.0	774.9482	-0.2 mmu 
C14.H41.N3.O7.F1.S9.Cl3.		12.0	774.9480	-0.0 mmu 
C23.H38.N1.O1.F2.S9.Cl3.		21.0	774.9473	+0.7 mmu 
C20.H39.N1.O2.F3.S9.Cl3.		17.0	774.9485	-0.5 mmu 
C15.H45.N1.O7.P1.S9.Cl3.		12.0	774.9486	-0.6 mmu 
C14.H40.N5.O1.F3.P1.S9.Cl3.		14.0	774.9475	+0.5 mmu 
C15.H44.N3.O1.F2.P2.S9.Cl3.		14.0	774.9480	+0.0 mmu 
C19.H47.N1.P3.S9.Cl3.		18.0	774.9473	+0.7 mmu 
C16.H48.N1.O1.F1.P3.S9.Cl3.		14.0	774.9485	-0.5 mmu 
C18.H44.N3.O1.S11.Cl3.		19.0	774.9478	+0.2 mmu 
C35.H9.N9.O5.Cl4.		34.0	774.9481	-0.1 mmu 
C20.H5.N21.O6.Cl4.		27.0	774.9486	-0.6 mmu 
C19.H9.N17.O10.Cl4.		22.0	774.9472	+0.8 mmu 
C22.H17.N7.O16.Cl4.		16.0	774.9486	-0.6 mmu 
C21.H21.N3.O20.Cl4.		11.0	774.9473	+0.7 mmu 
C31.H14.N5.O10.F1.Cl4.		25.0	774.9479	+0.1 mmu 
C16.H10.N17.O11.F1.Cl4.		18.0	774.9484	-0.4 mmu 
C18.H22.N3.O21.F1.Cl4.		7.0	774.9484	-0.4 mmu 
C25.H7.N15.O5.F2.Cl4.		27.0	774.9477	+0.3 mmu 
C27.H19.N1.O15.F2.Cl4.		16.0	774.9477	+0.3 mmu 
C19.N25.F3.Cl4.		29.0	774.9475	+0.5 mmu 
C37.H12.N3.O5.F3.Cl4.		30.0	774.9483	-0.3 mmu 
C21.H12.N11.O10.F3.Cl4.		18.0	774.9475	+0.5 mmu 
C15.H5.N21.O5.F4.Cl4.		20.0	774.9473	+0.7 mmu 
C18.H13.N11.O11.F4.Cl4.		14.0	774.9486	-0.6 mmu 
C17.H17.N7.O15.F4.Cl4.		9.0	774.9473	+0.7 mmu 
C43.H10.N1.F5.Cl4.		35.0	774.9488	-0.8 mmu 
C27.H10.N9.O5.F5.Cl4.		23.0	774.9479	+0.1 mmu 
C12.H6.N21.O6.F5.Cl4.		16.0	774.9484	-0.4 mmu 
C14.H18.N7.O16.F5.Cl4.		5.0	774.9484	-0.4 mmu 
C23.H15.N5.O10.F6.Cl4.		14.0	774.9477	+0.3 mmu 
C33.H8.N7.F7.Cl4.		28.0	774.9484	-0.4 mmu 
C17.H8.N15.O5.F7.Cl4.		16.0	774.9475	+0.5 mmu 
C19.H20.N1.O15.F7.Cl4.		5.0	774.9475	+0.5 mmu 
C29.H13.N3.O5.F8.Cl4.		19.0	774.9482	-0.2 mmu 
C14.H9.N15.O6.F8.Cl4.		12.0	774.9487	-0.7 mmu 
C13.H13.N11.O10.F8.Cl4.		7.0	774.9473	+0.7 mmu 
C16.H21.N1.O16.F8.Cl4.		1.0	774.9487	-0.7 mmu 
C23.H6.N13.F9.Cl4.		21.0	774.9480	+0.0 mmu 
C10.H14.N11.O11.F9.Cl4.		3.0	774.9485	-0.5 mmu 
C35.H11.N1.F10.Cl4.		24.0	774.9486	-0.6 mmu 
C19.H11.N9.O5.F10.Cl4.		12.0	774.9478	+0.2 mmu 
C13.H4.N19.F11.Cl4.		14.0	774.9476	+0.4 mmu 
C15.H16.N5.O10.F11.Cl4.		3.0	774.9476	+0.4 mmu 
C25.H9.N7.F12.Cl4.		17.0	774.9482	-0.2 mmu 
C10.H5.N19.O1.F12.Cl4.		10.0	774.9487	-0.7 mmu 
C9.H9.N15.O5.F12.Cl4.		5.0	774.9474	+0.6 mmu 
C30.H6.N17.P1.Cl4.		36.0	774.9484	-0.4 mmu 
C14.H6.N25.O5.P1.Cl4.		24.0	774.9475	+0.5 mmu 
C32.H18.N3.O10.P1.Cl4.		25.0	774.9484	-0.4 mmu 
C16.H18.N11.O15.P1.Cl4.		13.0	774.9476	+0.4 mmu 
C41.H15.N1.O4.F1.P1.Cl4.		34.0	774.9477	+0.3 mmu 
C26.H11.N13.O5.F1.P1.Cl4.		27.0	774.9482	-0.2 mmu 
C20.H4.N23.F2.P1.Cl4.		29.0	774.9480	+0.0 mmu 
C22.H16.N9.O10.F2.P1.Cl4.		18.0	774.9480	+0.0 mmu 
C32.H9.N11.F3.P1.Cl4.		32.0	774.9486	-0.6 mmu 
C31.H13.N7.O4.F3.P1.Cl4.		27.0	774.9473	+0.7 mmu 
C16.H9.N19.O5.F3.P1.Cl4.		20.0	774.9478	+0.2 mmu 
C18.H21.N5.O15.F3.P1.Cl4.		9.0	774.9478	+0.2 mmu 
C28.H14.N7.O5.F4.P1.Cl4.		23.0	774.9484	-0.4 mmu 
C12.H14.N15.O10.F4.P1.Cl4.		11.0	774.9476	+0.4 mmu 
C22.H7.N17.F5.P1.Cl4.		25.0	774.9482	-0.2 mmu 
C24.H19.N3.O10.F5.P1.Cl4.		14.0	774.9482	-0.2 mmu 
C33.H16.N1.O4.F6.P1.Cl4.		23.0	774.9475	+0.5 mmu 
C18.H12.N13.O5.F6.P1.Cl4.		16.0	774.9480	-0.0 mmu 
C12.H5.N23.F7.P1.Cl4.		18.0	774.9478	+0.2 mmu 
C30.H17.N1.O5.F7.P1.Cl4.		19.0	774.9487	-0.7 mmu 
C14.H17.N9.O10.F7.P1.Cl4.		7.0	774.9478	+0.2 mmu 
C24.H10.N11.F8.P1.Cl4.		21.0	774.9485	-0.5 mmu 
C20.H15.N7.O5.F9.P1.Cl4.		12.0	774.9483	-0.3 mmu 
C14.H8.N17.F10.P1.Cl4.		14.0	774.9481	-0.1 mmu 
C16.H20.N3.O10.F10.P1.Cl4.		3.0	774.9481	-0.1 mmu 
C26.H13.N5.F11.P1.Cl4.		17.0	774.9487	-0.7 mmu 
C25.H17.N1.O4.F11.P1.Cl4.		12.0	774.9474	+0.6 mmu 
C10.H13.N13.O5.F11.P1.Cl4.		5.0	774.9479	+0.1 mmu 
C22.H18.N1.O5.F12.P1.Cl4.		8.0	774.9485	-0.5 mmu 
C27.H15.N11.O5.P2.Cl4.		27.0	774.9487	-0.7 mmu 
C26.H19.N7.O9.P2.Cl4.		22.0	774.9474	+0.6 mmu 
C11.H15.N19.O10.P2.Cl4.		15.0	774.9479	+0.1 mmu 
C21.H8.N21.F1.P2.Cl4.		29.0	774.9485	-0.5 mmu 
C23.H20.N7.O10.F1.P2.Cl4.		18.0	774.9485	-0.5 mmu 
C32.H17.N5.O4.F2.P2.Cl4.		27.0	774.9478	+0.2 mmu 
C17.H13.N17.O5.F2.P2.Cl4.		20.0	774.9483	-0.3 mmu 
C19.H25.N3.O15.F2.P2.Cl4.		9.0	774.9483	-0.3 mmu 
C28.H22.N1.O9.F3.P2.Cl4.		18.0	774.9476	+0.4 mmu 
C13.H18.N13.O10.F3.P2.Cl4.		11.0	774.9481	-0.1 mmu 
C23.H11.N15.F4.P2.Cl4.		25.0	774.9487	-0.7 mmu 
C22.H15.N11.O4.F4.P2.Cl4.		20.0	774.9474	+0.6 mmu 
C25.H23.N1.O10.F4.P2.Cl4.		14.0	774.9487	-0.7 mmu 
C19.H16.N11.O5.F5.P2.Cl4.		16.0	774.9485	-0.5 mmu 
C13.H9.N21.F6.P2.Cl4.		18.0	774.9483	-0.3 mmu 
C15.H21.N7.O10.F6.P2.Cl4.		7.0	774.9483	-0.3 mmu 
C24.H18.N5.O4.F7.P2.Cl4.		16.0	774.9476	+0.4 mmu 
C9.H14.N17.O5.F7.P2.Cl4.		9.0	774.9481	-0.1 mmu 
C20.H23.N1.O9.F8.P2.Cl4.		7.0	774.9474	+0.6 mmu 
C15.H12.N15.F9.P2.Cl4.		14.0	774.9486	-0.6 mmu 
C14.H16.N11.O4.F9.P2.Cl4.		9.0	774.9472	+0.8 mmu 
C17.H24.N1.O10.F9.P2.Cl4.		3.0	774.9486	-0.6 mmu 
C11.H17.N11.O5.F10.P2.Cl4.		5.0	774.9484	-0.4 mmu 
C16.H19.N5.O4.F12.P2.Cl4.		5.0	774.9475	+0.5 mmu 
C21.H16.N15.O4.P3.Cl4.		24.0	774.9477	+0.3 mmu 
C23.H28.N1.O14.P3.Cl4.		13.0	774.9477	+0.3 mmu 
C33.H21.N3.O4.F1.P3.Cl4.		27.0	774.9483	-0.3 mmu 
C17.H21.N11.O9.F1.P3.Cl4.		15.0	774.9475	+0.5 mmu 
C11.H14.N21.O4.F2.P3.Cl4.		17.0	774.9473	+0.7 mmu 
C14.H22.N11.O10.F2.P3.Cl4.		11.0	774.9486	-0.6 mmu 
C13.H26.N7.O14.F2.P3.Cl4.		6.0	774.9473	+0.7 mmu 
C23.H19.N9.O4.F3.P3.Cl4.		20.0	774.9479	+0.1 mmu 
C19.H24.N5.O9.F4.P3.Cl4.		11.0	774.9477	+0.3 mmu 
C13.H17.N15.O4.F5.P3.Cl4.		13.0	774.9475	+0.5 mmu 
C15.H29.N1.O14.F5.P3.Cl4.		2.0	774.9475	+0.5 mmu 
C25.H22.N3.O4.F6.P3.Cl4.		16.0	774.9481	-0.1 mmu 
C10.H18.N15.O5.F6.P3.Cl4.		9.0	774.9486	-0.6 mmu 
C15.H20.N9.O4.F8.P3.Cl4.		9.0	774.9477	+0.3 mmu 
C11.H25.N5.O9.F9.P3.Cl4.		0.0	774.9476	+0.4 mmu 
C17.H23.N3.O4.F11.P3.Cl4.		5.0	774.9480	+0.0 mmu 
C18.H25.N9.O9.P4.Cl4.		15.0	774.9480	+0.0 mmu 
C27.H22.N7.O3.F1.P4.Cl4.		24.0	774.9473	+0.7 mmu 
C14.H30.N5.O14.F1.P4.Cl4.		6.0	774.9478	+0.2 mmu 
C24.H23.N7.O4.F2.P4.Cl4.		20.0	774.9484	-0.4 mmu 
C20.H28.N3.O9.F3.P4.Cl4.		11.0	774.9482	-0.2 mmu 
C29.H25.N1.O3.F4.P4.Cl4.		20.0	774.9475	+0.5 mmu 
C14.H21.N13.O4.F4.P4.Cl4.		13.0	774.9480	-0.0 mmu 
C26.H26.N1.O4.F5.P4.Cl4.		16.0	774.9487	-0.7 mmu 
C16.H24.N7.O4.F7.P4.Cl4.		9.0	774.9483	-0.3 mmu 
C21.H26.N1.O3.F9.P4.Cl4.		9.0	774.9474	+0.6 mmu 
C18.H27.N1.O4.F10.P4.Cl4.		5.0	774.9485	-0.5 mmu 
C28.H26.N5.O3.P5.Cl4.		24.0	774.9478	+0.2 mmu 
C24.H31.N1.O8.F1.P5.Cl4.		15.0	774.9476	+0.4 mmu 
C18.H24.N11.O3.F2.P5.Cl4.		17.0	774.9474	+0.6 mmu 
C21.H32.N1.O9.F2.P5.Cl4.		11.0	774.9487	-0.7 mmu 
C20.H27.N5.O3.F5.P5.Cl4.		13.0	774.9476	+0.4 mmu 
C17.H28.N5.O4.F6.P5.Cl4.		9.0	774.9488	-0.8 mmu 
C16.H32.N1.O8.F6.P5.Cl4.		4.0	774.9474	+0.6 mmu 
C19.H28.N9.O3.F1.P6.Cl4.		17.0	774.9479	+0.1 mmu 
C21.H31.N3.O3.F4.P6.Cl4.		13.0	774.9481	-0.1 mmu 
C25.H34.N1.O2.F2.P7.Cl4.		17.0	774.9475	+0.5 mmu 
C22.H35.N1.O3.F3.P7.Cl4.		13.0	774.9486	-0.6 mmu 
C43.H13.N3.O2.S1.Cl4.		39.0	774.9483	-0.3 mmu 
C28.H9.N15.O3.S1.Cl4.		32.0	774.9488	-0.8 mmu 
C27.H13.N11.O7.S1.Cl4.		27.0	774.9474	+0.6 mmu 
C12.H9.N23.O8.S1.Cl4.		20.0	774.9479	+0.1 mmu 
C30.H21.N1.O13.S1.Cl4.		21.0	774.9488	-0.8 mmu 
C24.H14.N11.O8.F1.S1.Cl4.		23.0	774.9486	-0.6 mmu 
C23.H18.N7.O12.F1.S1.Cl4.		18.0	774.9472	+0.8 mmu 
C33.H11.N9.O2.F2.S1.Cl4.		32.0	774.9479	+0.1 mmu 
C18.H7.N21.O3.F2.S1.Cl4.		25.0	774.9484	-0.4 mmu 
C20.H19.N7.O13.F2.S1.Cl4.		14.0	774.9484	-0.4 mmu 
C29.H16.N5.O7.F3.S1.Cl4.		23.0	774.9477	+0.3 mmu 
C14.H12.N17.O8.F3.S1.Cl4.		16.0	774.9482	-0.2 mmu 
C16.H24.N3.O18.F3.S1.Cl4.		5.0	774.9482	-0.2 mmu 
C23.H9.N15.O2.F4.S1.Cl4.		25.0	774.9475	+0.5 mmu 
C25.H21.N1.O12.F4.S1.Cl4.		14.0	774.9475	+0.5 mmu 
C35.H14.N3.O2.F5.S1.Cl4.		28.0	774.9481	-0.1 mmu 
C20.H10.N15.O3.F5.S1.Cl4.		21.0	774.9486	-0.6 mmu 
C19.H14.N11.O7.F5.S1.Cl4.		16.0	774.9473	+0.7 mmu 
C22.H22.N1.O13.F5.S1.Cl4.		10.0	774.9486	-0.6 mmu 
C16.H15.N11.O8.F6.S1.Cl4.		12.0	774.9484	-0.4 mmu 
C25.H12.N9.O2.F7.S1.Cl4.		21.0	774.9477	+0.3 mmu 
C12.H20.N7.O13.F7.S1.Cl4.		3.0	774.9482	-0.2 mmu 
C21.H17.N5.O7.F8.S1.Cl4.		12.0	774.9475	+0.5 mmu 
C15.H10.N15.O2.F9.S1.Cl4.		14.0	774.9473	+0.7 mmu 
C18.H18.N5.O8.F9.S1.Cl4.		8.0	774.9486	-0.6 mmu 
C17.H22.N1.O12.F9.S1.Cl4.		3.0	774.9473	+0.7 mmu 
C27.H15.N3.O2.F10.S1.Cl4.		17.0	774.9479	+0.1 mmu 
C12.H11.N15.O3.F10.S1.Cl4.		10.0	774.9484	-0.4 mmu 
C8.H16.N11.O8.F11.S1.Cl4.		1.0	774.9482	-0.2 mmu 
C17.H13.N9.O2.F12.S1.Cl4.		10.0	774.9475	+0.5 mmu 
C37.H14.N7.O1.P1.S1.Cl4.		36.0	774.9472	+0.8 mmu 
C22.H10.N19.O2.P1.S1.Cl4.		29.0	774.9477	+0.3 mmu 
C24.H22.N5.O12.P1.S1.Cl4.		18.0	774.9477	+0.3 mmu 
C34.H15.N7.O2.F1.P1.S1.Cl4.		32.0	774.9484	-0.4 mmu 
C18.H15.N15.O7.F1.P1.S1.Cl4.		20.0	774.9475	+0.5 mmu 
C20.H27.N1.O17.F1.P1.S1.Cl4.		9.0	774.9475	+0.5 mmu 
C30.H20.N3.O7.F2.P1.S1.Cl4.		23.0	774.9482	-0.2 mmu 
C15.H16.N15.O8.F2.P1.S1.Cl4.		16.0	774.9487	-0.7 mmu 
C14.H20.N11.O12.F2.P1.S1.Cl4.		11.0	774.9473	+0.7 mmu 
C17.H28.N1.O18.F2.P1.S1.Cl4.		5.0	774.9487	-0.7 mmu 
C39.H17.N1.O1.F3.P1.S1.Cl4.		32.0	774.9475	+0.5 mmu 
C24.H13.N13.O2.F3.P1.S1.Cl4.		25.0	774.9480	+0.0 mmu 
C11.H21.N11.O13.F3.P1.S1.Cl4.		7.0	774.9485	-0.5 mmu 
C36.H18.N1.O2.F4.P1.S1.Cl4.		28.0	774.9486	-0.6 mmu 
C20.H18.N9.O7.F4.P1.S1.Cl4.		16.0	774.9478	+0.2 mmu 
C14.H11.N19.O2.F5.P1.S1.Cl4.		18.0	774.9476	+0.4 mmu 
C16.H23.N5.O12.F5.P1.S1.Cl4.		7.0	774.9476	+0.4 mmu 
C26.H16.N7.O2.F6.P1.S1.Cl4.		21.0	774.9482	-0.2 mmu 
C11.H12.N19.O3.F6.P1.S1.Cl4.		14.0	774.9487	-0.7 mmu 
C10.H16.N15.O7.F6.P1.S1.Cl4.		9.0	774.9474	+0.6 mmu 
C13.H24.N5.O13.F6.P1.S1.Cl4.		3.0	774.9487	-0.7 mmu 
C22.H21.N3.O7.F7.P1.S1.Cl4.		12.0	774.9480	-0.0 mmu 
C31.H18.N1.O1.F8.P1.S1.Cl4.		21.0	774.9473	+0.7 mmu 
C16.H14.N13.O2.F8.P1.S1.Cl4.		14.0	774.9478	+0.2 mmu 
C28.H19.N1.O2.F9.P1.S1.Cl4.		17.0	774.9485	-0.5 mmu 
C12.H19.N9.O7.F9.P1.S1.Cl4.		5.0	774.9476	+0.4 mmu 
C9.H20.N9.O8.F10.P1.S1.Cl4.		1.0	774.9488	-0.8 mmu 
C18.H17.N7.O2.F11.P1.S1.Cl4.		10.0	774.9481	-0.1 mmu 
C14.H22.N3.O7.F12.P1.S1.Cl4.		1.0	774.9479	+0.1 mmu 
C34.H23.N1.O6.P2.S1.Cl4.		27.0	774.9475	+0.5 mmu 
C19.H19.N13.O7.P2.S1.Cl4.		20.0	774.9480	-0.0 mmu 
C28.H16.N11.O1.F1.P2.S1.Cl4.		29.0	774.9473	+0.7 mmu 
C13.H12.N23.O2.F1.P2.S1.Cl4.		22.0	774.9478	+0.2 mmu 
C31.H24.N1.O7.F1.P2.S1.Cl4.		23.0	774.9487	-0.7 mmu 
C15.H24.N9.O12.F1.P2.S1.Cl4.		11.0	774.9479	+0.1 mmu 
C25.H17.N11.O2.F2.P2.S1.Cl4.		25.0	774.9485	-0.5 mmu 
C21.H22.N7.O7.F3.P2.S1.Cl4.		16.0	774.9483	-0.3 mmu 
C30.H19.N5.O1.F4.P2.S1.Cl4.		25.0	774.9476	+0.4 mmu 
C15.H15.N17.O2.F4.P2.S1.Cl4.		18.0	774.9481	-0.1 mmu 
C17.H27.N3.O12.F4.P2.S1.Cl4.		7.0	774.9481	-0.1 mmu 
C27.H20.N5.O2.F5.P2.S1.Cl4.		21.0	774.9487	-0.7 mmu 
C26.H24.N1.O6.F5.P2.S1.Cl4.		16.0	774.9474	+0.6 mmu 
C11.H20.N13.O7.F5.P2.S1.Cl4.		9.0	774.9479	+0.1 mmu 
C23.H25.N1.O7.F6.P2.S1.Cl4.		12.0	774.9485	-0.5 mmu 
C17.H18.N11.O2.F7.P2.S1.Cl4.		14.0	774.9483	-0.3 mmu 
C13.H23.N7.O7.F8.P2.S1.Cl4.		5.0	774.9481	-0.1 mmu 
C22.H20.N5.O1.F9.P2.S1.Cl4.		14.0	774.9474	+0.6 mmu 
C19.H21.N5.O2.F10.P2.S1.Cl4.		10.0	774.9486	-0.6 mmu 
C15.H26.N1.O7.F11.P2.S1.Cl4.		1.0	774.9484	-0.4 mmu 
C9.H19.N11.O2.F12.P2.S1.Cl4.		3.0	774.9482	-0.2 mmu 
C29.H20.N9.O1.P3.S1.Cl4.		29.0	774.9478	+0.2 mmu 
C14.H16.N21.O2.P3.S1.Cl4.		22.0	774.9483	-0.3 mmu 
C16.H28.N7.O12.P3.S1.Cl4.		11.0	774.9484	-0.4 mmu 
C25.H25.N5.O6.F1.P3.S1.Cl4.		20.0	774.9477	+0.3 mmu 
C10.H21.N17.O7.F1.P3.S1.Cl4.		13.0	774.9482	-0.2 mmu 
C19.H18.N15.O1.F2.P3.S1.Cl4.		22.0	774.9474	+0.6 mmu 
C21.H30.N1.O11.F2.P3.S1.Cl4.		11.0	774.9475	+0.5 mmu 
C31.H23.N3.O1.F3.P3.S1.Cl4.		25.0	774.9481	-0.1 mmu 
C16.H19.N15.O2.F3.P3.S1.Cl4.		18.0	774.9486	-0.6 mmu 
C15.H23.N11.O6.F3.P3.S1.Cl4.		13.0	774.9473	+0.7 mmu 
C18.H31.N1.O12.F3.P3.S1.Cl4.		7.0	774.9486	-0.6 mmu 
C12.H24.N11.O7.F4.P3.S1.Cl4.		9.0	774.9484	-0.4 mmu 
C21.H21.N9.O1.F5.P3.S1.Cl4.		18.0	774.9477	+0.3 mmu 
C17.H26.N5.O6.F6.P3.S1.Cl4.		9.0	774.9475	+0.5 mmu 
C11.H19.N15.O1.F7.P3.S1.Cl4.		11.0	774.9473	+0.7 mmu 
C14.H27.N5.O7.F7.P3.S1.Cl4.		5.0	774.9486	-0.6 mmu 
C13.H31.N1.O11.F7.P3.S1.Cl4.		0.0	774.9473	+0.7 mmu 
C23.H24.N3.O1.F8.P3.S1.Cl4.		14.0	774.9479	+0.1 mmu 
C13.H22.N9.O1.F10.P3.S1.Cl4.		7.0	774.9475	+0.5 mmu 
C10.H23.N9.O2.F11.P3.S1.Cl4.		3.0	774.9487	-0.7 mmu 
C26.H29.N3.O6.P4.S1.Cl4.		20.0	774.9482	-0.2 mmu 
C35.H26.N1.F1.P4.S1.Cl4.		29.0	774.9475	+0.5 mmu 
C20.H22.N13.O1.F1.P4.S1.Cl4.		22.0	774.9480	+0.0 mmu 
C32.H27.N1.O1.F2.P4.S1.Cl4.		25.0	774.9486	-0.6 mmu 
C16.H27.N9.O6.F2.P4.S1.Cl4.		13.0	774.9478	+0.2 mmu 
C22.H25.N7.O1.F4.P4.S1.Cl4.		18.0	774.9482	-0.2 mmu 
C18.H30.N3.O6.F5.P4.S1.Cl4.		9.0	774.9480	-0.0 mmu 
C27.H27.N1.F6.P4.S1.Cl4.		18.0	774.9473	+0.7 mmu 
C24.H28.N1.O1.F7.P4.S1.Cl4.		14.0	774.9484	-0.4 mmu 
C14.H26.N7.O1.F9.P4.S1.Cl4.		7.0	774.9480	-0.0 mmu 
C16.H29.N1.O1.F12.P4.S1.Cl4.		3.0	774.9483	-0.3 mmu 
C21.H26.N11.O1.P5.S1.Cl4.		22.0	774.9485	-0.5 mmu 
C17.H31.N7.O6.F1.P5.S1.Cl4.		13.0	774.9483	-0.3 mmu 
C26.H28.N5.F2.P5.S1.Cl4.		22.0	774.9476	+0.4 mmu 
C23.H29.N5.O1.F3.P5.S1.Cl4.		18.0	774.9487	-0.7 mmu 
C22.H33.N1.O5.F3.P5.S1.Cl4.		13.0	774.9474	+0.6 mmu 
C19.H34.N1.O6.F4.P5.S1.Cl4.		9.0	774.9485	-0.5 mmu 
C18.H29.N5.F7.P5.S1.Cl4.		11.0	774.9474	+0.6 mmu 
C27.H32.N3.F1.P6.S1.Cl4.		22.0	774.9481	-0.1 mmu 
C19.H33.N3.F6.P6.S1.Cl4.		11.0	774.9479	+0.1 mmu 
C28.H36.N1.P7.S1.Cl4.		22.0	774.9486	-0.6 mmu 
C35.H17.N5.O4.S2.Cl4.		32.0	774.9476	+0.4 mmu 
C20.H13.N17.O5.S2.Cl4.		25.0	774.9481	-0.1 mmu 
C22.H25.N3.O15.S2.Cl4.		14.0	774.9481	-0.1 mmu 
C32.H18.N5.O5.F1.S2.Cl4.		28.0	774.9487	-0.7 mmu 
C31.H22.N1.O9.F1.S2.Cl4.		23.0	774.9474	+0.6 mmu 
C16.H18.N13.O10.F1.S2.Cl4.		16.0	774.9479	+0.1 mmu 
C26.H11.N15.F2.S2.Cl4.		30.0	774.9485	-0.5 mmu 
C28.H23.N1.O10.F2.S2.Cl4.		19.0	774.9486	-0.6 mmu 
C22.H16.N11.O5.F3.S2.Cl4.		21.0	774.9483	-0.3 mmu 
C16.H9.N21.F4.S2.Cl4.		23.0	774.9481	-0.1 mmu 
C18.H21.N7.O10.F4.S2.Cl4.		12.0	774.9482	-0.2 mmu 
C27.H18.N5.O4.F5.S2.Cl4.		21.0	774.9474	+0.6 mmu 
C12.H14.N17.O5.F5.S2.Cl4.		14.0	774.9479	+0.1 mmu 
C14.H26.N3.O15.F5.S2.Cl4.		3.0	774.9480	+0.0 mmu 
C24.H19.N5.O5.F6.S2.Cl4.		17.0	774.9486	-0.6 mmu 
C23.H23.N1.O9.F6.S2.Cl4.		12.0	774.9473	+0.7 mmu 
C18.H12.N15.F7.S2.Cl4.		19.0	774.9484	-0.4 mmu 
C20.H24.N1.O10.F7.S2.Cl4.		8.0	774.9484	-0.4 mmu 
C14.H17.N11.O5.F8.S2.Cl4.		10.0	774.9482	-0.2 mmu 
C10.H22.N7.O10.F9.S2.Cl4.		1.0	774.9480	+0.0 mmu 
C20.H15.N9.F10.S2.Cl4.		15.0	774.9486	-0.6 mmu 
C19.H19.N5.O4.F10.S2.Cl4.		10.0	774.9473	+0.7 mmu 
C16.H20.N5.O5.F11.S2.Cl4.		6.0	774.9484	-0.4 mmu 
C10.H13.N15.F12.S2.Cl4.		8.0	774.9482	-0.2 mmu 
C15.H10.N25.P1.S2.Cl4.		27.0	774.9484	-0.4 mmu 
C17.H22.N11.O10.P1.S2.Cl4.		16.0	774.9484	-0.4 mmu 
C26.H19.N9.O4.F1.P1.S2.Cl4.		25.0	774.9477	+0.3 mmu 
C11.H15.N21.O5.F1.P1.S2.Cl4.		18.0	774.9482	-0.2 mmu 
C13.H27.N7.O15.F1.P1.S2.Cl4.		7.0	774.9482	-0.2 mmu 
C22.H24.N5.O9.F2.P1.S2.Cl4.		16.0	774.9475	+0.5 mmu 
C17.H13.N19.F3.P1.S2.Cl4.		23.0	774.9487	-0.7 mmu 
C16.H17.N15.O4.F3.P1.S2.Cl4.		18.0	774.9473	+0.7 mmu 
C19.H25.N5.O10.F3.P1.S2.Cl4.		12.0	774.9487	-0.7 mmu 
C18.H29.N1.O14.F3.P1.S2.Cl4.		7.0	774.9473	+0.7 mmu 
C28.H22.N3.O4.F4.P1.S2.Cl4.		21.0	774.9480	+0.0 mmu 
C13.H18.N15.O5.F4.P1.S2.Cl4.		14.0	774.9485	-0.5 mmu 
C15.H30.N1.O15.F4.P1.S2.Cl4.		3.0	774.9485	-0.5 mmu 
C9.H23.N11.O10.F5.P1.S2.Cl4.		5.0	774.9483	-0.3 mmu 
C18.H20.N9.O4.F6.P1.S2.Cl4.		14.0	774.9476	+0.4 mmu 
C15.H21.N9.O5.F7.P1.S2.Cl4.		10.0	774.9487	-0.7 mmu 
C14.H25.N5.O9.F7.P1.S2.Cl4.		5.0	774.9474	+0.6 mmu 
C11.H26.N5.O10.F8.P1.S2.Cl4.		1.0	774.9485	-0.5 mmu 
C20.H23.N3.O4.F9.P1.S2.Cl4.		10.0	774.9478	+0.2 mmu 
C11.H17.N13.F11.P1.S2.Cl4.		8.0	774.9487	-0.7 mmu 
C10.H21.N9.O4.F11.P1.S2.Cl4.		3.0	774.9474	+0.6 mmu 
C27.H23.N7.O4.P2.S2.Cl4.		25.0	774.9482	-0.2 mmu 
C12.H19.N19.O5.P2.S2.Cl4.		18.0	774.9487	-0.7 mmu 
C11.H23.N15.O9.P2.S2.Cl4.		13.0	774.9474	+0.6 mmu 
C14.H31.N5.O15.P2.S2.Cl4.		7.0	774.9487	-0.7 mmu 
C23.H28.N3.O9.F1.P2.S2.Cl4.		16.0	774.9480	-0.0 mmu 
C32.H25.N1.O3.F2.P2.S2.Cl4.		25.0	774.9473	+0.7 mmu 
C17.H21.N13.O4.F2.P2.S2.Cl4.		18.0	774.9478	+0.2 mmu 
C29.H26.N1.O4.F3.P2.S2.Cl4.		21.0	774.9485	-0.5 mmu 
C13.H26.N9.O9.F3.P2.S2.Cl4.		9.0	774.9476	+0.4 mmu 
C19.H24.N7.O4.F5.P2.S2.Cl4.		14.0	774.9481	-0.1 mmu 
C15.H29.N3.O9.F6.P2.S2.Cl4.		5.0	774.9479	+0.1 mmu 
C9.H22.N13.O4.F7.P2.S2.Cl4.		7.0	774.9477	+0.3 mmu 
C21.H27.N1.O4.F8.P2.S2.Cl4.		10.0	774.9483	-0.3 mmu 
C11.H25.N7.O4.F10.P2.S2.Cl4.		3.0	774.9479	+0.1 mmu 
C24.H32.N1.O9.P3.S2.Cl4.		16.0	774.9485	-0.5 mmu 
C18.H25.N11.O4.F1.P3.S2.Cl4.		18.0	774.9483	-0.3 mmu 
C14.H30.N7.O9.F2.P3.S2.Cl4.		9.0	774.9481	-0.1 mmu 
C23.H27.N5.O3.F3.P3.S2.Cl4.		18.0	774.9474	+0.6 mmu 
C20.H28.N5.O4.F4.P3.S2.Cl4.		14.0	774.9486	-0.6 mmu 
C19.H32.N1.O8.F4.P3.S2.Cl4.		9.0	774.9472	+0.8 mmu 
C16.H33.N1.O9.F5.P3.S2.Cl4.		5.0	774.9484	-0.4 mmu 
C10.H26.N11.O4.F6.P3.S2.Cl4.		7.0	774.9482	-0.2 mmu 
C15.H28.N5.O3.F8.P3.S2.Cl4.		7.0	774.9473	+0.7 mmu 
C12.H29.N5.O4.F9.P3.S2.Cl4.		3.0	774.9484	-0.4 mmu 
C18.H33.N5.O8.P4.S2.Cl4.		13.0	774.9475	+0.5 mmu 
C15.H34.N5.O9.F1.P4.S2.Cl4.		9.0	774.9487	-0.7 mmu 
C14.H38.N1.O13.F1.P4.S2.Cl4.		4.0	774.9473	+0.7 mmu 
C24.H31.N3.O3.F2.P4.S2.Cl4.		18.0	774.9479	+0.1 mmu 
C14.H29.N9.O3.F4.P4.S2.Cl4.		11.0	774.9475	+0.5 mmu 
C16.H32.N3.O3.F7.P4.S2.Cl4.		7.0	774.9478	+0.2 mmu 
C28.H34.N1.O2.P5.S2.Cl4.		22.0	774.9473	+0.7 mmu 
C25.H35.N1.O3.F1.P5.S2.Cl4.		18.0	774.9485	-0.5 mmu 
C17.H36.N1.O3.F6.P5.S2.Cl4.		7.0	774.9483	-0.3 mmu 
C19.H36.N5.O2.F1.P6.S2.Cl4.		15.0	774.9474	+0.6 mmu 
C28.H17.N11.O2.S3.Cl4.		30.0	774.9483	-0.3 mmu 
C12.H17.N19.O7.S3.Cl4.		18.0	774.9475	+0.5 mmu 
C24.H22.N7.O7.F1.S3.Cl4.		21.0	774.9481	-0.1 mmu 
C33.H19.N5.O1.F2.S3.Cl4.		30.0	774.9474	+0.6 mmu 
C18.H15.N17.O2.F2.S3.Cl4.		23.0	774.9479	+0.1 mmu 
C20.H27.N3.O12.F2.S3.Cl4.		12.0	774.9479	+0.1 mmu 
C30.H20.N5.O2.F3.S3.Cl4.		26.0	774.9485	-0.5 mmu 
C14.H20.N13.O7.F3.S3.Cl4.		14.0	774.9477	+0.3 mmu 
C26.H25.N1.O7.F4.S3.Cl4.		17.0	774.9483	-0.3 mmu 
C10.H25.N9.O12.F4.S3.Cl4.		5.0	774.9475	+0.5 mmu 
C20.H18.N11.O2.F5.S3.Cl4.		19.0	774.9481	-0.1 mmu 
C16.H23.N7.O7.F6.S3.Cl4.		10.0	774.9479	+0.1 mmu 
C25.H20.N5.O1.F7.S3.Cl4.		19.0	774.9472	+0.8 mmu 
C10.H16.N17.O2.F7.S3.Cl4.		12.0	774.9477	+0.3 mmu 
C12.H28.N3.O12.F7.S3.Cl4.		1.0	774.9477	+0.3 mmu 
C22.H21.N5.O2.F8.S3.Cl4.		15.0	774.9484	-0.4 mmu 
C18.H26.N1.O7.F9.S3.Cl4.		6.0	774.9482	-0.2 mmu 
C12.H19.N11.O2.F10.S3.Cl4.		8.0	774.9480	+0.0 mmu 
C22.H18.N15.O1.P1.S3.Cl4.		27.0	774.9473	+0.7 mmu 
C25.H26.N5.O7.P1.S3.Cl4.		21.0	774.9486	-0.6 mmu 
C24.H30.N1.O11.P1.S3.Cl4.		16.0	774.9473	+0.7 mmu 
C34.H23.N3.O1.F1.P1.S3.Cl4.		30.0	774.9479	+0.1 mmu 
C19.H19.N15.O2.F1.P1.S3.Cl4.		23.0	774.9484	-0.4 mmu 
C21.H31.N1.O12.F1.P1.S3.Cl4.		12.0	774.9484	-0.4 mmu 
C15.H24.N11.O7.F2.P1.S3.Cl4.		14.0	774.9482	-0.2 mmu 
C24.H21.N9.O1.F3.P1.S3.Cl4.		23.0	774.9475	+0.5 mmu 
C11.H29.N7.O12.F3.P1.S3.Cl4.		5.0	774.9480	-0.0 mmu 
C21.H22.N9.O2.F4.P1.S3.Cl4.		19.0	774.9486	-0.6 mmu 
C20.H26.N5.O6.F4.P1.S3.Cl4.		14.0	774.9473	+0.7 mmu 
C17.H27.N5.O7.F5.P1.S3.Cl4.		10.0	774.9484	-0.4 mmu 
C26.H24.N3.O1.F6.P1.S3.Cl4.		19.0	774.9477	+0.3 mmu 
C11.H20.N15.O2.F6.P1.S3.Cl4.		12.0	774.9482	-0.2 mmu 
C13.H32.N1.O12.F6.P1.S3.Cl4.		1.0	774.9483	-0.3 mmu 
C16.H22.N9.O1.F8.P1.S3.Cl4.		12.0	774.9473	+0.7 mmu 
C13.H23.N9.O2.F9.P1.S3.Cl4.		8.0	774.9485	-0.5 mmu 
C18.H25.N3.O1.F11.P1.S3.Cl4.		8.0	774.9476	+0.4 mmu 
C15.H26.N3.O2.F12.P1.S3.Cl4.		4.0	774.9487	-0.7 mmu 
C35.H27.N1.O1.P2.S3.Cl4.		30.0	774.9484	-0.4 mmu 
C19.H27.N9.O6.P2.S3.Cl4.		18.0	774.9476	+0.4 mmu 
C13.H20.N19.O1.F1.P2.S3.Cl4.		20.0	774.9474	+0.6 mmu 
C16.H28.N9.O7.F1.P2.S3.Cl4.		14.0	774.9487	-0.7 mmu 
C15.H32.N5.O11.F1.P2.S3.Cl4.		9.0	774.9474	+0.6 mmu 
C25.H25.N7.O1.F2.P2.S3.Cl4.		23.0	774.9480	-0.0 mmu 
C10.H21.N19.O2.F2.P2.S3.Cl4.		16.0	774.9485	-0.5 mmu 
C12.H33.N5.O12.F2.P2.S3.Cl4.		5.0	774.9485	-0.5 mmu 
C21.H30.N3.O6.F3.P2.S3.Cl4.		14.0	774.9478	+0.2 mmu 
C15.H23.N13.O1.F4.P2.S3.Cl4.		16.0	774.9476	+0.4 mmu 
C27.H28.N1.O1.F5.P2.S3.Cl4.		19.0	774.9483	-0.3 mmu 
C12.H24.N13.O2.F5.P2.S3.Cl4.		12.0	774.9488	-0.8 mmu 
C11.H28.N9.O6.F5.P2.S3.Cl4.		7.0	774.9474	+0.6 mmu 
C17.H26.N7.O1.F7.P2.S3.Cl4.		12.0	774.9479	+0.1 mmu 
C13.H31.N3.O6.F8.P2.S3.Cl4.		3.0	774.9477	+0.3 mmu 
C19.H29.N1.O1.F10.P2.S3.Cl4.		8.0	774.9481	-0.1 mmu 
C9.H27.N7.O1.F12.P2.S3.Cl4.		1.0	774.9477	+0.3 mmu 
C29.H28.N5.P3.S3.Cl4.		27.0	774.9474	+0.6 mmu 
C14.H24.N17.O1.P3.S3.Cl4.		20.0	774.9479	+0.1 mmu 
C16.H36.N3.O11.P3.S3.Cl4.		9.0	774.9479	+0.1 mmu 
C26.H29.N5.O1.F1.P3.S3.Cl4.		23.0	774.9485	-0.5 mmu 
C10.H29.N13.O6.F1.P3.S3.Cl4.		11.0	774.9477	+0.3 mmu 
C22.H34.N1.O6.F2.P3.S3.Cl4.		14.0	774.9483	-0.3 mmu 
C16.H27.N11.O1.F3.P3.S3.Cl4.		16.0	774.9481	-0.1 mmu 
C12.H32.N7.O6.F4.P3.S3.Cl4.		7.0	774.9479	+0.1 mmu 
C18.H30.N5.O1.F6.P3.S3.Cl4.		12.0	774.9484	-0.4 mmu 
C14.H35.N1.O6.F7.P3.S3.Cl4.		3.0	774.9482	-0.2 mmu 
C20.H30.N9.F1.P4.S3.Cl4.		20.0	774.9475	+0.5 mmu 
C17.H31.N9.O1.F2.P4.S3.Cl4.		16.0	774.9486	-0.6 mmu 
C16.H35.N5.O5.F2.P4.S3.Cl4.		11.0	774.9473	+0.7 mmu 
C13.H36.N5.O6.F3.P4.S3.Cl4.		7.0	774.9484	-0.4 mmu 
C22.H33.N3.F4.P4.S3.Cl4.		16.0	774.9477	+0.3 mmu 
C14.H34.N3.F9.P4.S3.Cl4.		5.0	774.9476	+0.4 mmu 
C21.H34.N7.P5.S3.Cl4.		20.0	774.9480	+0.0 mmu 
C17.H39.N3.O5.F1.P5.S3.Cl4.		11.0	774.9478	+0.2 mmu 
C23.H37.N1.F3.P5.S3.Cl4.		16.0	774.9482	-0.2 mmu 
C20.H21.N13.O4.S4.Cl4.		23.0	774.9476	+0.4 mmu 
C32.H26.N1.O4.F1.S4.Cl4.		26.0	774.9483	-0.3 mmu 
C16.H26.N9.O9.F1.S4.Cl4.		14.0	774.9474	+0.6 mmu 
C10.H19.N19.O4.F2.S4.Cl4.		16.0	774.9472	+0.8 mmu 
C13.H27.N9.O10.F2.S4.Cl4.		10.0	774.9486	-0.6 mmu 
C12.H31.N5.O14.F2.S4.Cl4.		5.0	774.9473	+0.7 mmu 
C22.H24.N7.O4.F3.S4.Cl4.		19.0	774.9479	+0.1 mmu 
C18.H29.N3.O9.F4.S4.Cl4.		10.0	774.9477	+0.3 mmu 
C12.H22.N13.O4.F5.S4.Cl4.		12.0	774.9475	+0.5 mmu 
C24.H27.N1.O4.F6.S4.Cl4.		15.0	774.9481	-0.1 mmu 
C9.H23.N13.O5.F6.S4.Cl4.		8.0	774.9486	-0.6 mmu 
C14.H25.N7.O4.F8.S4.Cl4.		8.0	774.9477	+0.3 mmu 
C16.H28.N1.O4.F11.S4.Cl4.		4.0	774.9480	+0.0 mmu 
C17.H30.N7.O9.P1.S4.Cl4.		14.0	774.9480	+0.0 mmu 
C26.H27.N5.O3.F1.P1.S4.Cl4.		23.0	774.9472	+0.8 mmu 
C11.H23.N17.O4.F1.P1.S4.Cl4.		16.0	774.9478	+0.2 mmu 
C13.H35.N3.O14.F1.P1.S4.Cl4.		5.0	774.9478	+0.2 mmu 
C23.H28.N5.O4.F2.P1.S4.Cl4.		19.0	774.9484	-0.4 mmu 
C19.H33.N1.O9.F3.P1.S4.Cl4.		10.0	774.9482	-0.2 mmu 
C13.H26.N11.O4.F4.P1.S4.Cl4.		12.0	774.9480	+0.0 mmu 
C15.H29.N5.O4.F7.P1.S4.Cl4.		8.0	774.9482	-0.2 mmu 
C27.H31.N3.O3.P2.S4.Cl4.		23.0	774.9478	+0.2 mmu 
C12.H27.N15.O4.P2.S4.Cl4.		16.0	774.9483	-0.3 mmu 
C14.H39.N1.O14.P2.S4.Cl4.		5.0	774.9483	-0.3 mmu 
C17.H29.N9.O3.F2.P2.S4.Cl4.		16.0	774.9474	+0.6 mmu 
C14.H30.N9.O4.F3.P2.S4.Cl4.		12.0	774.9485	-0.5 mmu 
C19.H32.N3.O3.F5.P2.S4.Cl4.		12.0	774.9476	+0.4 mmu 
C16.H33.N3.O4.F6.P2.S4.Cl4.		8.0	774.9487	-0.7 mmu 
C11.H33.N3.O3.F10.P2.S4.Cl4.		1.0	774.9474	+0.6 mmu 
C18.H33.N7.O3.F1.P3.S4.Cl4.		16.0	774.9479	+0.1 mmu 
C14.H38.N3.O8.F2.P3.S4.Cl4.		7.0	774.9477	+0.3 mmu 
C20.H36.N1.O3.F4.P3.S4.Cl4.		12.0	774.9481	-0.1 mmu 
C15.H42.N1.O8.F1.P4.S4.Cl4.		7.0	774.9482	-0.2 mmu 
C28.H25.N7.O1.S5.Cl4.		28.0	774.9478	+0.2 mmu 
C13.H21.N19.O2.S5.Cl4.		21.0	774.9483	-0.3 mmu 
C15.H33.N5.O12.S5.Cl4.		10.0	774.9483	-0.3 mmu 
C24.H30.N3.O6.F1.S5.Cl4.		19.0	774.9476	+0.4 mmu 
C9.H26.N15.O7.F1.S5.Cl4.		12.0	774.9481	-0.1 mmu 
C18.H23.N13.O1.F2.S5.Cl4.		21.0	774.9474	+0.6 mmu 
C21.H31.N3.O7.F2.S5.Cl4.		15.0	774.9488	-0.8 mmu 
C30.H28.N1.O1.F3.S5.Cl4.		24.0	774.9481	-0.1 mmu 
C15.H24.N13.O2.F3.S5.Cl4.		17.0	774.9486	-0.6 mmu 
C14.H28.N9.O6.F3.S5.Cl4.		12.0	774.9472	+0.8 mmu 
C11.H29.N9.O7.F4.S5.Cl4.		8.0	774.9484	-0.4 mmu 
C20.H26.N7.O1.F5.S5.Cl4.		17.0	774.9477	+0.3 mmu 
C16.H31.N3.O6.F6.S5.Cl4.		8.0	774.9475	+0.5 mmu 
C10.H24.N13.O1.F7.S5.Cl4.		10.0	774.9473	+0.7 mmu 
C13.H32.N3.O7.F7.S5.Cl4.		4.0	774.9486	-0.6 mmu 
C22.H29.N1.O1.F8.S5.Cl4.		13.0	774.9479	+0.1 mmu 
C12.H27.N7.O1.F10.S5.Cl4.		6.0	774.9475	+0.5 mmu 
C25.H34.N1.O6.P1.S5.Cl4.		19.0	774.9481	-0.1 mmu 
C10.H30.N13.O7.P1.S5.Cl4.		12.0	774.9486	-0.6 mmu 
C19.H27.N11.O1.F1.P1.S5.Cl4.		21.0	774.9479	+0.1 mmu 
C15.H32.N7.O6.F2.P1.S5.Cl4.		12.0	774.9477	+0.3 mmu 
C9.H25.N17.O1.F3.P1.S5.Cl4.		14.0	774.9475	+0.5 mmu 
C21.H30.N5.O1.F4.P1.S5.Cl4.		17.0	774.9482	-0.2 mmu 
C17.H35.N1.O6.F5.P1.S5.Cl4.		8.0	774.9480	+0.0 mmu 
C11.H28.N11.O1.F6.P1.S5.Cl4.		10.0	774.9478	+0.2 mmu 
C13.H31.N5.O1.F9.P1.S5.Cl4.		6.0	774.9480	-0.0 mmu 
C20.H31.N9.O1.P2.S5.Cl4.		21.0	774.9484	-0.4 mmu 
C16.H36.N5.O6.F1.P2.S5.Cl4.		12.0	774.9482	-0.2 mmu 
C25.H33.N3.F2.P2.S5.Cl4.		21.0	774.9475	+0.5 mmu 
C10.H29.N15.O1.F2.P2.S5.Cl4.		14.0	774.9480	-0.0 mmu 
C22.H34.N3.O1.F3.P2.S5.Cl4.		17.0	774.9487	-0.7 mmu 
C12.H32.N9.O1.F5.P2.S5.Cl4.		10.0	774.9483	-0.3 mmu 
C17.H34.N3.F7.P2.S5.Cl4.		10.0	774.9474	+0.6 mmu 
C14.H35.N3.O1.F8.P2.S5.Cl4.		6.0	774.9485	-0.5 mmu 
C14.H32.N13.P3.S5.Cl4.		18.0	774.9474	+0.6 mmu 
C17.H40.N3.O6.P3.S5.Cl4.		12.0	774.9488	-0.8 mmu 
C26.H37.N1.F1.P3.S5.Cl4.		21.0	774.9481	-0.1 mmu 
C11.H33.N13.O1.F1.P3.S5.Cl4.		14.0	774.9486	-0.6 mmu 
C16.H35.N7.F3.P3.S5.Cl4.		14.0	774.9477	+0.3 mmu 
C18.H38.N1.F6.P3.S5.Cl4.		10.0	774.9479	+0.1 mmu 
C18.H43.N3.F1.P5.S5.Cl4.		14.0	774.9487	-0.7 mmu 
C17.H30.N9.O4.F1.S6.Cl4.		17.0	774.9483	-0.3 mmu 
C13.H35.N5.O9.F2.S6.Cl4.		8.0	774.9481	-0.1 mmu 
C22.H32.N3.O3.F3.S6.Cl4.		17.0	774.9474	+0.6 mmu 
C19.H33.N3.O4.F4.S6.Cl4.		13.0	774.9486	-0.6 mmu 
C14.H33.N3.O3.F8.S6.Cl4.		6.0	774.9473	+0.7 mmu 
C17.H38.N3.O8.P1.S6.Cl4.		12.0	774.9475	+0.5 mmu 
C11.H31.N13.O3.F1.P1.S6.Cl4.		14.0	774.9473	+0.7 mmu 
C14.H39.N3.O9.F1.P1.S6.Cl4.		8.0	774.9486	-0.6 mmu 
C23.H36.N1.O3.F2.P1.S6.Cl4.		17.0	774.9479	+0.1 mmu 
C13.H34.N7.O3.F4.P1.S6.Cl4.		10.0	774.9475	+0.5 mmu 
C15.H37.N1.O3.F7.P1.S6.Cl4.		6.0	774.9478	+0.2 mmu 
C12.H35.N11.O3.P2.S6.Cl4.		14.0	774.9478	+0.2 mmu 
C14.H38.N5.O3.F3.P2.S6.Cl4.		10.0	774.9480	-0.0 mmu 
C18.H41.N3.O2.F1.P3.S6.Cl4.		14.0	774.9474	+0.6 mmu 
C15.H42.N3.O3.F2.P3.S6.Cl4.		10.0	774.9485	-0.5 mmu 
C19.H45.N1.O2.P4.S6.Cl4.		14.0	774.9479	+0.1 mmu 
C28.H33.N3.S7.Cl4.		26.0	774.9474	+0.6 mmu 
C13.H29.N15.O1.S7.Cl4.		19.0	774.9479	+0.1 mmu 
C15.H41.N1.O11.S7.Cl4.		8.0	774.9479	+0.1 mmu 
C25.H34.N3.O1.F1.S7.Cl4.		22.0	774.9485	-0.5 mmu 
C15.H32.N9.O1.F3.S7.Cl4.		15.0	774.9481	-0.1 mmu 
C17.H35.N3.O1.F6.S7.Cl4.		11.0	774.9483	-0.3 mmu 
C19.H35.N7.F1.P1.S7.Cl4.		19.0	774.9475	+0.5 mmu 
C16.H36.N7.O1.F2.P1.S7.Cl4.		15.0	774.9486	-0.6 mmu 
C15.H40.N3.O5.F2.P1.S7.Cl4.		10.0	774.9473	+0.7 mmu 
C21.H38.N1.F4.P1.S7.Cl4.		15.0	774.9477	+0.3 mmu 
C13.H39.N1.F9.P1.S7.Cl4.		4.0	774.9475	+0.5 mmu 
C20.H39.N5.P2.S7.Cl4.		19.0	774.9480	+0.0 mmu 
C16.H44.N1.O5.F1.P2.S7.Cl4.		10.0	774.9478	+0.2 mmu 
C17.H38.N5.O3.F1.S8.Cl4.		15.0	774.9478	+0.2 mmu 
C18.H42.N3.O3.P1.S8.Cl4.		15.0	774.9484	-0.4 mmu 
C16.H45.N1.O6.S9.Cl4.		11.0	774.9487	-0.7 mmu 
C15.H40.N5.F3.S9.Cl4.		13.0	774.9476	+0.4 mmu 
C16.H44.N3.F2.P1.S9.Cl4.		13.0	774.9481	-0.1 mmu 
C17.H48.N1.F1.P2.S9.Cl4.		13.0	774.9486	-0.6 mmu 
C17.H46.N1.O2.F1.S10.Cl4.		13.0	774.9474	+0.6 mmu 
C15.H6.N25.O4.Cl5.		23.0	774.9477	+0.3 mmu 
C33.H18.N3.O9.Cl5.		24.0	774.9486	-0.6 mmu 
C17.H18.N11.O14.Cl5.		12.0	774.9477	+0.3 mmu 
C42.H15.N1.O3.F1.Cl5.		33.0	774.9479	+0.1 mmu 
C27.H11.N13.O4.F1.Cl5.		26.0	774.9484	-0.4 mmu 
C11.H11.N21.O9.F1.Cl5.		14.0	774.9475	+0.5 mmu 
C23.H16.N9.O9.F2.Cl5.		17.0	774.9482	-0.2 mmu 
C32.H13.N7.O3.F3.Cl5.		26.0	774.9475	+0.5 mmu 
C17.H9.N19.O4.F3.Cl5.		19.0	774.9480	+0.0 mmu 
C19.H21.N5.O14.F3.Cl5.		8.0	774.9480	+0.0 mmu 
C29.H14.N7.O4.F4.Cl5.		22.0	774.9486	-0.6 mmu 
C28.H18.N3.O8.F4.Cl5.		17.0	774.9473	+0.7 mmu 
C13.H14.N15.O9.F4.Cl5.		10.0	774.9478	+0.2 mmu 
C25.H19.N3.O9.F5.Cl5.		13.0	774.9484	-0.4 mmu 
C34.H16.N1.O3.F6.Cl5.		22.0	774.9477	+0.3 mmu 
C19.H12.N13.O4.F6.Cl5.		15.0	774.9482	-0.2 mmu 
C15.H17.N9.O9.F7.Cl5.		6.0	774.9480	-0.0 mmu 
C24.H14.N7.O3.F8.Cl5.		15.0	774.9473	+0.7 mmu 
C21.H15.N7.O4.F9.Cl5.		11.0	774.9484	-0.4 mmu 
C17.H20.N3.O9.F10.Cl5.		2.0	774.9482	-0.2 mmu 
C26.H17.N1.O3.F11.Cl5.		11.0	774.9475	+0.5 mmu 
C11.H13.N13.O4.F11.Cl5.		4.0	774.9480	-0.0 mmu 
C23.H18.N1.O4.F12.Cl5.		7.0	774.9487	-0.7 mmu 
C27.H19.N7.O8.P1.Cl5.		21.0	774.9475	+0.5 mmu 
C12.H15.N19.O9.P1.Cl5.		14.0	774.9480	-0.0 mmu 
C21.H12.N17.O3.F1.P1.Cl5.		23.0	774.9473	+0.7 mmu 
C24.H20.N7.O9.F1.P1.Cl5.		17.0	774.9487	-0.7 mmu 
C23.H24.N3.O13.F1.P1.Cl5.		12.0	774.9473	+0.7 mmu 
C33.H17.N5.O3.F2.P1.Cl5.		26.0	774.9480	+0.0 mmu 
C18.H13.N17.O4.F2.P1.Cl5.		19.0	774.9485	-0.5 mmu 
C20.H25.N3.O14.F2.P1.Cl5.		8.0	774.9485	-0.5 mmu 
C29.H22.N1.O8.F3.P1.Cl5.		17.0	774.9478	+0.2 mmu 
C14.H18.N13.O9.F3.P1.Cl5.		10.0	774.9483	-0.3 mmu 
C23.H15.N11.O3.F4.P1.Cl5.		19.0	774.9476	+0.4 mmu 
C20.H16.N11.O4.F5.P1.Cl5.		15.0	774.9487	-0.7 mmu 
C19.H20.N7.O8.F5.P1.Cl5.		10.0	774.9474	+0.6 mmu 
C16.H21.N7.O9.F6.P1.Cl5.		6.0	774.9485	-0.5 mmu 
C25.H18.N5.O3.F7.P1.Cl5.		15.0	774.9478	+0.2 mmu 
C10.H14.N17.O4.F7.P1.Cl5.		8.0	774.9483	-0.3 mmu 
C21.H23.N1.O8.F8.P1.Cl5.		6.0	774.9476	+0.4 mmu 
C15.H16.N11.O3.F9.P1.Cl5.		8.0	774.9474	+0.6 mmu 
C18.H24.N1.O9.F9.P1.Cl5.		2.0	774.9488	-0.8 mmu 
C12.H17.N11.O4.F10.P1.Cl5.		4.0	774.9486	-0.6 mmu 
C17.H19.N5.O3.F12.P1.Cl5.		4.0	774.9477	+0.3 mmu 
C37.H20.N3.O2.P2.Cl5.		30.0	774.9473	+0.7 mmu 
C22.H16.N15.O3.P2.Cl5.		23.0	774.9478	+0.2 mmu 
C24.H28.N1.O13.P2.Cl5.		12.0	774.9479	+0.1 mmu 
C34.H21.N3.O3.F1.P2.Cl5.		26.0	774.9485	-0.5 mmu 
C18.H21.N11.O8.F1.P2.Cl5.		14.0	774.9476	+0.4 mmu 
C12.H14.N21.O3.F2.P2.Cl5.		16.0	774.9474	+0.6 mmu 
C14.H26.N7.O13.F2.P2.Cl5.		5.0	774.9475	+0.5 mmu 
C24.H19.N9.O3.F3.P2.Cl5.		19.0	774.9481	-0.1 mmu 
C20.H24.N5.O8.F4.P2.Cl5.		10.0	774.9479	+0.1 mmu 
C14.H17.N15.O3.F5.P2.Cl5.		12.0	774.9477	+0.3 mmu 
C16.H29.N1.O13.F5.P2.Cl5.		1.0	774.9477	+0.3 mmu 
C26.H22.N3.O3.F6.P2.Cl5.		15.0	774.9483	-0.3 mmu 
C10.H22.N11.O8.F6.P2.Cl5.		3.0	774.9475	+0.5 mmu 
C16.H20.N9.O3.F8.P2.Cl5.		8.0	774.9479	+0.1 mmu 
C18.H23.N3.O3.F11.P2.Cl5.		4.0	774.9482	-0.2 mmu 
C19.H25.N9.O8.P3.Cl5.		14.0	774.9482	-0.2 mmu 
C28.H22.N7.O2.F1.P3.Cl5.		23.0	774.9474	+0.6 mmu 
C13.H18.N19.O3.F1.P3.Cl5.		16.0	774.9480	+0.0 mmu 
C15.H30.N5.O13.F1.P3.Cl5.		5.0	774.9480	+0.0 mmu 
C25.H23.N7.O3.F2.P3.Cl5.		19.0	774.9486	-0.6 mmu 
C24.H27.N3.O7.F2.P3.Cl5.		14.0	774.9473	+0.7 mmu 
C21.H28.N3.O8.F3.P3.Cl5.		10.0	774.9484	-0.4 mmu 
C30.H25.N1.O2.F4.P3.Cl5.		19.0	774.9477	+0.3 mmu 
C15.H21.N13.O3.F4.P3.Cl5.		12.0	774.9482	-0.2 mmu 
C11.H26.N9.O8.F5.P3.Cl5.		3.0	774.9480	+0.0 mmu 
C20.H23.N7.O2.F6.P3.Cl5.		12.0	774.9473	+0.7 mmu 
C17.H24.N7.O3.F7.P3.Cl5.		8.0	774.9484	-0.4 mmu 
C22.H26.N1.O2.F9.P3.Cl5.		8.0	774.9475	+0.5 mmu 
C19.H27.N1.O3.F10.P3.Cl5.		4.0	774.9487	-0.7 mmu 
C29.H26.N5.O2.P4.Cl5.		23.0	774.9480	+0.0 mmu 
C14.H22.N17.O3.P4.Cl5.		16.0	774.9485	-0.5 mmu 
C16.H34.N3.O13.P4.Cl5.		5.0	774.9485	-0.5 mmu 
C25.H31.N1.O7.F1.P4.Cl5.		14.0	774.9478	+0.2 mmu 
C19.H24.N11.O2.F2.P4.Cl5.		16.0	774.9476	+0.4 mmu 
C16.H25.N11.O3.F3.P4.Cl5.		12.0	774.9487	-0.7 mmu 
C15.H29.N7.O7.F3.P4.Cl5.		7.0	774.9474	+0.6 mmu 
C21.H27.N5.O2.F5.P4.Cl5.		12.0	774.9478	+0.2 mmu 
C17.H32.N1.O7.F6.P4.Cl5.		3.0	774.9476	+0.4 mmu 
C13.H28.N5.O2.F10.P4.Cl5.		1.0	774.9476	+0.4 mmu 
C20.H28.N9.O2.F1.P5.Cl5.		16.0	774.9481	-0.1 mmu 
C16.H33.N5.O7.F2.P5.Cl5.		7.0	774.9479	+0.1 mmu 
C22.H31.N3.O2.F4.P5.Cl5.		12.0	774.9483	-0.3 mmu 
C21.H32.N7.O2.P6.Cl5.		16.0	774.9486	-0.6 mmu 
C20.H36.N3.O6.P6.Cl5.		11.0	774.9472	+0.8 mmu 
C26.H34.N1.O1.F2.P6.Cl5.		16.0	774.9477	+0.3 mmu 
C38.H14.N7.S1.Cl5.		35.0	774.9474	+0.6 mmu 
C23.H10.N19.O1.S1.Cl5.		28.0	774.9479	+0.1 mmu 
C25.H22.N5.O11.S1.Cl5.		17.0	774.9479	+0.1 mmu 
C10.H18.N17.O12.S1.Cl5.		10.0	774.9484	-0.4 mmu 
C35.H15.N7.O1.F1.S1.Cl5.		31.0	774.9485	-0.5 mmu 
C19.H15.N15.O6.F1.S1.Cl5.		19.0	774.9477	+0.3 mmu 
C21.H27.N1.O16.F1.S1.Cl5.		8.0	774.9477	+0.3 mmu 
C13.H8.N25.O1.F2.S1.Cl5.		21.0	774.9475	+0.5 mmu 
C31.H20.N3.O6.F2.S1.Cl5.		22.0	774.9484	-0.4 mmu 
C15.H20.N11.O11.F2.S1.Cl5.		10.0	774.9475	+0.5 mmu 
C40.H17.N1.F3.S1.Cl5.		31.0	774.9476	+0.4 mmu 
C25.H13.N13.O1.F3.S1.Cl5.		24.0	774.9481	-0.1 mmu 
C12.H21.N11.O12.F3.S1.Cl5.		6.0	774.9487	-0.7 mmu 
C21.H18.N9.O6.F4.S1.Cl5.		15.0	774.9480	+0.0 mmu 
C30.H15.N7.F5.S1.Cl5.		24.0	774.9472	+0.8 mmu 
C15.H11.N19.O1.F5.S1.Cl5.		17.0	774.9477	+0.3 mmu 
C17.H23.N5.O11.F5.S1.Cl5.		6.0	774.9478	+0.2 mmu 
C27.H16.N7.O1.F6.S1.Cl5.		20.0	774.9484	-0.4 mmu 
C11.H16.N15.O6.F6.S1.Cl5.		8.0	774.9476	+0.4 mmu 
C23.H21.N3.O6.F7.S1.Cl5.		11.0	774.9482	-0.2 mmu 
C8.H17.N15.O7.F7.S1.Cl5.		4.0	774.9487	-0.7 mmu 
C32.H18.N1.F8.S1.Cl5.		20.0	774.9475	+0.5 mmu 
C17.H14.N13.O1.F8.S1.Cl5.		13.0	774.9480	+0.0 mmu 
C29.H19.N1.O1.F9.S1.Cl5.		16.0	774.9486	-0.6 mmu 
C13.H19.N9.O6.F9.S1.Cl5.		4.0	774.9478	+0.2 mmu 
C19.H17.N7.O1.F11.S1.Cl5.		9.0	774.9482	-0.2 mmu 
C15.H22.N3.O6.F12.S1.Cl5.		0.0	774.9480	-0.0 mmu 
C35.H23.N1.O5.P1.S1.Cl5.		26.0	774.9477	+0.3 mmu 
C20.H19.N13.O6.P1.S1.Cl5.		19.0	774.9482	-0.2 mmu 
C29.H16.N11.F1.P1.S1.Cl5.		28.0	774.9475	+0.5 mmu 
C14.H12.N23.O1.F1.P1.S1.Cl5.		21.0	774.9480	-0.0 mmu 
C16.H24.N9.O11.F1.P1.S1.Cl5.		10.0	774.9480	-0.0 mmu 
C26.H17.N11.O1.F2.P1.S1.Cl5.		24.0	774.9487	-0.7 mmu 
C25.H21.N7.O5.F2.P1.S1.Cl5.		19.0	774.9473	+0.7 mmu 
C10.H17.N19.O6.F2.P1.S1.Cl5.		12.0	774.9478	+0.2 mmu 
C22.H22.N7.O6.F3.P1.S1.Cl5.		15.0	774.9485	-0.5 mmu 
C31.H19.N5.F4.P1.S1.Cl5.		24.0	774.9478	+0.2 mmu 
C16.H15.N17.O1.F4.P1.S1.Cl5.		17.0	774.9483	-0.3 mmu 
C18.H27.N3.O11.F4.P1.S1.Cl5.		6.0	774.9483	-0.3 mmu 
C27.H24.N1.O5.F5.P1.S1.Cl5.		15.0	774.9476	+0.4 mmu 
C12.H20.N13.O6.F5.P1.S1.Cl5.		8.0	774.9481	-0.1 mmu 
C21.H17.N11.F6.P1.S1.Cl5.		17.0	774.9474	+0.6 mmu 
C24.H25.N1.O6.F6.P1.S1.Cl5.		11.0	774.9487	-0.7 mmu 
C18.H18.N11.O1.F7.P1.S1.Cl5.		13.0	774.9485	-0.5 mmu 
C14.H23.N7.O6.F8.P1.S1.Cl5.		4.0	774.9483	-0.3 mmu 
C23.H20.N5.F9.P1.S1.Cl5.		13.0	774.9476	+0.4 mmu 
C20.H21.N5.O1.F10.P1.S1.Cl5.		9.0	774.9487	-0.7 mmu 
C19.H25.N1.O5.F10.P1.S1.Cl5.		4.0	774.9474	+0.6 mmu 
C16.H26.N1.O6.F11.P1.S1.Cl5.		0.0	774.9485	-0.5 mmu 
C10.H19.N11.O1.F12.P1.S1.Cl5.		2.0	774.9483	-0.3 mmu 
C30.H20.N9.P2.S1.Cl5.		28.0	774.9480	-0.0 mmu 
C15.H16.N21.O1.P2.S1.Cl5.		21.0	774.9485	-0.5 mmu 
C17.H28.N7.O11.P2.S1.Cl5.		10.0	774.9485	-0.5 mmu 
C26.H25.N5.O5.F1.P2.S1.Cl5.		19.0	774.9478	+0.2 mmu 
C11.H21.N17.O6.F1.P2.S1.Cl5.		12.0	774.9483	-0.3 mmu 
C20.H18.N15.F2.P2.S1.Cl5.		21.0	774.9476	+0.4 mmu 
C22.H30.N1.O10.F2.P2.S1.Cl5.		10.0	774.9476	+0.4 mmu 
C32.H23.N3.F3.P2.S1.Cl5.		24.0	774.9483	-0.3 mmu 
C17.H19.N15.O1.F3.P2.S1.Cl5.		17.0	774.9488	-0.8 mmu 
C16.H23.N11.O5.F3.P2.S1.Cl5.		12.0	774.9474	+0.6 mmu 
C13.H24.N11.O6.F4.P2.S1.Cl5.		8.0	774.9486	-0.6 mmu 
C12.H28.N7.O10.F4.P2.S1.Cl5.		3.0	774.9472	+0.8 mmu 
C22.H21.N9.F5.P2.S1.Cl5.		17.0	774.9479	+0.1 mmu 
C18.H26.N5.O5.F6.P2.S1.Cl5.		8.0	774.9477	+0.3 mmu 
C12.H19.N15.F7.P2.S1.Cl5.		10.0	774.9475	+0.5 mmu 
C24.H24.N3.F8.P2.S1.Cl5.		13.0	774.9481	-0.1 mmu 
C9.H20.N15.O1.F8.P2.S1.Cl5.		6.0	774.9486	-0.6 mmu 
C8.H24.N11.O5.F8.P2.S1.Cl5.		1.0	774.9473	+0.7 mmu 
C14.H22.N9.F10.P2.S1.Cl5.		6.0	774.9477	+0.3 mmu 
C27.H29.N3.O5.P3.S1.Cl5.		19.0	774.9483	-0.3 mmu 
C11.H29.N11.O10.P3.S1.Cl5.		7.0	774.9475	+0.5 mmu 
C21.H22.N13.F1.P3.S1.Cl5.		21.0	774.9481	-0.1 mmu 
C17.H27.N9.O5.F2.P3.S1.Cl5.		12.0	774.9479	+0.1 mmu 
C11.H20.N19.F3.P3.S1.Cl5.		14.0	774.9477	+0.3 mmu 
C13.H32.N5.O10.F3.P3.S1.Cl5.		3.0	774.9477	+0.3 mmu 
C23.H25.N7.F4.P3.S1.Cl5.		17.0	774.9484	-0.4 mmu 
C19.H30.N3.O5.F5.P3.S1.Cl5.		8.0	774.9482	-0.2 mmu 
C13.H23.N13.F6.P3.S1.Cl5.		10.0	774.9480	+0.0 mmu 
C25.H28.N1.F7.P3.S1.Cl5.		13.0	774.9486	-0.6 mmu 
C15.H26.N7.F9.P3.S1.Cl5.		6.0	774.9482	-0.2 mmu 
C17.H29.N1.F12.P3.S1.Cl5.		2.0	774.9485	-0.5 mmu 
C22.H26.N11.P4.S1.Cl5.		21.0	774.9486	-0.6 mmu 
C21.H30.N7.O4.P4.S1.Cl5.		16.0	774.9473	+0.7 mmu 
C18.H31.N7.O5.F1.P4.S1.Cl5.		12.0	774.9485	-0.5 mmu 
C14.H36.N3.O10.F2.P4.S1.Cl5.		3.0	774.9483	-0.3 mmu 
C23.H33.N1.O4.F3.P4.S1.Cl5.		12.0	774.9475	+0.5 mmu 
C20.H34.N1.O5.F4.P4.S1.Cl5.		8.0	774.9487	-0.7 mmu 
C14.H27.N11.F5.P4.S1.Cl5.		10.0	774.9485	-0.5 mmu 
C16.H30.N5.F8.P4.S1.Cl5.		6.0	774.9487	-0.7 mmu 
C15.H34.N1.O4.F8.P4.S1.Cl5.		1.0	774.9474	+0.6 mmu 
C18.H39.N1.O9.P5.S1.Cl5.		7.0	774.9476	+0.4 mmu 
C15.H14.N21.O3.S2.Cl5.		21.0	774.9473	+0.7 mmu 
C18.H22.N11.O9.S2.Cl5.		15.0	774.9486	-0.6 mmu 
C17.H26.N7.O13.S2.Cl5.		10.0	774.9473	+0.7 mmu 
C27.H19.N9.O3.F1.S2.Cl5.		24.0	774.9479	+0.1 mmu 
C12.H15.N21.O4.F1.S2.Cl5.		17.0	774.9484	-0.4 mmu 
C14.H27.N7.O14.F1.S2.Cl5.		6.0	774.9484	-0.4 mmu 
C23.H24.N5.O8.F2.S2.Cl5.		15.0	774.9477	+0.3 mmu 
C17.H17.N15.O3.F3.S2.Cl5.		17.0	774.9475	+0.5 mmu 
C19.H29.N1.O13.F3.S2.Cl5.		6.0	774.9475	+0.5 mmu 
C29.H22.N3.O3.F4.S2.Cl5.		20.0	774.9481	-0.1 mmu 
C14.H18.N15.O4.F4.S2.Cl5.		13.0	774.9486	-0.6 mmu 
C13.H22.N11.O8.F4.S2.Cl5.		8.0	774.9473	+0.7 mmu 
C16.H30.N1.O14.F4.S2.Cl5.		2.0	774.9486	-0.6 mmu 
C10.H23.N11.O9.F5.S2.Cl5.		4.0	774.9484	-0.4 mmu 
C19.H20.N9.O3.F6.S2.Cl5.		13.0	774.9477	+0.3 mmu 
C15.H25.N5.O8.F7.S2.Cl5.		4.0	774.9475	+0.5 mmu 
C9.H18.N15.O3.F8.S2.Cl5.		6.0	774.9473	+0.7 mmu 
C12.H26.N5.O9.F8.S2.Cl5.		0.0	774.9487	-0.7 mmu 
C21.H23.N3.O3.F9.S2.Cl5.		9.0	774.9480	+0.0 mmu 
C11.H21.N9.O3.F11.S2.Cl5.		2.0	774.9476	+0.4 mmu 
C28.H23.N7.O3.P1.S2.Cl5.		24.0	774.9484	-0.4 mmu 
C12.H23.N15.O8.P1.S2.Cl5.		12.0	774.9476	+0.4 mmu 
C24.H28.N3.O8.F1.P1.S2.Cl5.		15.0	774.9482	-0.2 mmu 
C9.H24.N15.O9.F1.P1.S2.Cl5.		8.0	774.9487	-0.7 mmu 
C33.H25.N1.O2.F2.P1.S2.Cl5.		24.0	774.9475	+0.5 mmu 
C18.H21.N13.O3.F2.P1.S2.Cl5.		17.0	774.9480	-0.0 mmu 
C30.H26.N1.O3.F3.P1.S2.Cl5.		20.0	774.9486	-0.6 mmu 
C14.H26.N9.O8.F3.P1.S2.Cl5.		8.0	774.9478	+0.2 mmu 
C20.H24.N7.O3.F5.P1.S2.Cl5.		13.0	774.9482	-0.2 mmu 
C16.H29.N3.O8.F6.P1.S2.Cl5.		4.0	774.9481	-0.1 mmu 
C25.H26.N1.O2.F7.P1.S2.Cl5.		13.0	774.9473	+0.7 mmu 
C10.H22.N13.O3.F7.P1.S2.Cl5.		6.0	774.9478	+0.2 mmu 
C22.H27.N1.O3.F8.P1.S2.Cl5.		9.0	774.9485	-0.5 mmu 
C12.H25.N7.O3.F10.P1.S2.Cl5.		2.0	774.9481	-0.1 mmu 
C22.H24.N11.O2.P2.S2.Cl5.		21.0	774.9474	+0.6 mmu 
C25.H32.N1.O8.P2.S2.Cl5.		15.0	774.9487	-0.7 mmu 
C19.H25.N11.O3.F1.P2.S2.Cl5.		17.0	774.9485	-0.5 mmu 
C15.H30.N7.O8.F2.P2.S2.Cl5.		8.0	774.9483	-0.3 mmu 
C24.H27.N5.O2.F3.P2.S2.Cl5.		17.0	774.9476	+0.4 mmu 
C9.H23.N17.O3.F3.P2.S2.Cl5.		10.0	774.9481	-0.1 mmu 
C21.H28.N5.O3.F4.P2.S2.Cl5.		13.0	774.9488	-0.8 mmu 
C20.H32.N1.O7.F4.P2.S2.Cl5.		8.0	774.9474	+0.6 mmu 
C17.H33.N1.O8.F5.P2.S2.Cl5.		4.0	774.9486	-0.6 mmu 
C11.H26.N11.O3.F6.P2.S2.Cl5.		6.0	774.9484	-0.4 mmu 
C16.H28.N5.O2.F8.P2.S2.Cl5.		6.0	774.9475	+0.5 mmu 
C13.H29.N5.O3.F9.P2.S2.Cl5.		2.0	774.9486	-0.6 mmu 
C19.H33.N5.O7.P3.S2.Cl5.		12.0	774.9477	+0.3 mmu 
C13.H26.N15.O2.F1.P3.S2.Cl5.		14.0	774.9475	+0.5 mmu 
C15.H38.N1.O12.F1.P3.S2.Cl5.		3.0	774.9475	+0.5 mmu 
C25.H31.N3.O2.F2.P3.S2.Cl5.		17.0	774.9481	-0.1 mmu 
C10.H27.N15.O3.F2.P3.S2.Cl5.		10.0	774.9486	-0.6 mmu 
C15.H29.N9.O2.F4.P3.S2.Cl5.		10.0	774.9477	+0.3 mmu 
C17.H32.N3.O2.F7.P3.S2.Cl5.		6.0	774.9480	+0.0 mmu 
C29.H34.N1.O1.P4.S2.Cl5.		21.0	774.9475	+0.5 mmu 
C14.H30.N13.O2.P4.S2.Cl5.		14.0	774.9480	+0.0 mmu 
C26.H35.N1.O2.F1.P4.S2.Cl5.		17.0	774.9486	-0.6 mmu 
C16.H33.N7.O2.F3.P4.S2.Cl5.		10.0	774.9482	-0.2 mmu 
C21.H35.N1.O1.F5.P4.S2.Cl5.		10.0	774.9473	+0.7 mmu 
C18.H36.N1.O2.F6.P4.S2.Cl5.		6.0	774.9485	-0.5 mmu 
C20.H36.N5.O1.F1.P5.S2.Cl5.		14.0	774.9476	+0.4 mmu 
C17.H37.N5.O2.F2.P5.S2.Cl5.		10.0	774.9487	-0.7 mmu 
C16.H41.N1.O6.F2.P5.S2.Cl5.		5.0	774.9474	+0.6 mmu 
C21.H40.N3.O1.P6.S2.Cl5.		14.0	774.9481	-0.1 mmu 
C23.H18.N15.S3.Cl5.		26.0	774.9474	+0.6 mmu 
C25.H30.N1.O10.S3.Cl5.		15.0	774.9474	+0.6 mmu 
C10.H26.N13.O11.S3.Cl5.		8.0	774.9479	+0.1 mmu 
C35.H23.N3.F1.S3.Cl5.		29.0	774.9481	-0.1 mmu 
C20.H19.N15.O1.F1.S3.Cl5.		22.0	774.9486	-0.6 mmu 
C19.H23.N11.O5.F1.S3.Cl5.		17.0	774.9472	+0.8 mmu 
C22.H31.N1.O11.F1.S3.Cl5.		11.0	774.9486	-0.6 mmu 
C16.H24.N11.O6.F2.S3.Cl5.		13.0	774.9484	-0.4 mmu 
C25.H21.N9.F3.S3.Cl5.		22.0	774.9477	+0.3 mmu 
C12.H29.N7.O11.F3.S3.Cl5.		4.0	774.9482	-0.2 mmu 
C21.H26.N5.O5.F4.S3.Cl5.		13.0	774.9475	+0.5 mmu 
C15.H19.N15.F5.S3.Cl5.		15.0	774.9473	+0.7 mmu 
C18.H27.N5.O6.F5.S3.Cl5.		9.0	774.9486	-0.6 mmu 
C17.H31.N1.O10.F5.S3.Cl5.		4.0	774.9473	+0.7 mmu 
C27.H24.N3.F6.S3.Cl5.		18.0	774.9479	+0.1 mmu 
C12.H20.N15.O1.F6.S3.Cl5.		11.0	774.9484	-0.4 mmu 
C14.H32.N1.O11.F6.S3.Cl5.		0.0	774.9484	-0.4 mmu 
C17.H22.N9.F8.S3.Cl5.		11.0	774.9475	+0.5 mmu 
C14.H23.N9.O1.F9.S3.Cl5.		7.0	774.9487	-0.7 mmu 
C13.H27.N5.O5.F9.S3.Cl5.		2.0	774.9473	+0.7 mmu 
C19.H25.N3.F11.S3.Cl5.		7.0	774.9478	+0.2 mmu 
C36.H27.N1.P1.S3.Cl5.		29.0	774.9486	-0.6 mmu 
C20.H27.N9.O5.P1.S3.Cl5.		17.0	774.9478	+0.2 mmu 
C14.H20.N19.F1.P1.S3.Cl5.		19.0	774.9475	+0.5 mmu 
C16.H32.N5.O10.F1.P1.S3.Cl5.		8.0	774.9476	+0.4 mmu 
C26.H25.N7.F2.P1.S3.Cl5.		22.0	774.9482	-0.2 mmu 
C11.H21.N19.O1.F2.P1.S3.Cl5.		15.0	774.9487	-0.7 mmu 
C10.H25.N15.O5.F2.P1.S3.Cl5.		10.0	774.9474	+0.6 mmu 
C13.H33.N5.O11.F2.P1.S3.Cl5.		4.0	774.9487	-0.7 mmu 
C22.H30.N3.O5.F3.P1.S3.Cl5.		13.0	774.9480	+0.0 mmu 
C16.H23.N13.F4.P1.S3.Cl5.		15.0	774.9478	+0.2 mmu 
C28.H28.N1.F5.P1.S3.Cl5.		18.0	774.9484	-0.4 mmu 
C12.H28.N9.O5.F5.P1.S3.Cl5.		6.0	774.9476	+0.4 mmu 
C18.H26.N7.F7.P1.S3.Cl5.		11.0	774.9480	-0.0 mmu 
C14.H31.N3.O5.F8.P1.S3.Cl5.		2.0	774.9478	+0.2 mmu 
C8.H24.N13.F9.P1.S3.Cl5.		4.0	774.9476	+0.4 mmu 
C20.H29.N1.F10.P1.S3.Cl5.		7.0	774.9483	-0.3 mmu 
C10.H27.N7.F12.P1.S3.Cl5.		0.0	774.9479	+0.1 mmu 
C15.H24.N17.P2.S3.Cl5.		19.0	774.9481	-0.1 mmu 
C17.H36.N3.O10.P2.S3.Cl5.		8.0	774.9481	-0.1 mmu 
C27.H29.N5.F1.P2.S3.Cl5.		22.0	774.9487	-0.7 mmu 
C26.H33.N1.O4.F1.P2.S3.Cl5.		17.0	774.9474	+0.6 mmu 
C11.H29.N13.O5.F1.P2.S3.Cl5.		10.0	774.9479	+0.1 mmu 
C23.H34.N1.O5.F2.P2.S3.Cl5.		13.0	774.9485	-0.5 mmu 
C17.H27.N11.F3.P2.S3.Cl5.		15.0	774.9483	-0.3 mmu 
C13.H32.N7.O5.F4.P2.S3.Cl5.		6.0	774.9481	-0.1 mmu 
C19.H30.N5.F6.P2.S3.Cl5.		11.0	774.9485	-0.5 mmu 
C15.H35.N1.O5.F7.P2.S3.Cl5.		2.0	774.9483	-0.3 mmu 
C11.H31.N5.F11.P2.S3.Cl5.		0.0	774.9484	-0.4 mmu 
C12.H33.N11.O5.P3.S3.Cl5.		10.0	774.9484	-0.4 mmu 
C17.H35.N5.O4.F2.P3.S3.Cl5.		10.0	774.9475	+0.5 mmu 
C14.H36.N5.O5.F3.P3.S3.Cl5.		6.0	774.9486	-0.6 mmu 
C18.H39.N3.O4.F1.P4.S3.Cl5.		10.0	774.9480	+0.0 mmu 
C19.H43.N1.O4.P5.S3.Cl5.		10.0	774.9485	-0.5 mmu 
C18.H30.N7.O8.S4.Cl5.		13.0	774.9481	-0.1 mmu 
C27.H27.N5.O2.F1.S4.Cl5.		22.0	774.9474	+0.6 mmu 
C12.H23.N17.O3.F1.S4.Cl5.		15.0	774.9479	+0.1 mmu 
C14.H35.N3.O13.F1.S4.Cl5.		4.0	774.9479	+0.1 mmu 
C24.H28.N5.O3.F2.S4.Cl5.		18.0	774.9486	-0.6 mmu 
C23.H32.N1.O7.F2.S4.Cl5.		13.0	774.9472	+0.8 mmu 
C20.H33.N1.O8.F3.S4.Cl5.		9.0	774.9484	-0.4 mmu 
C14.H26.N11.O3.F4.S4.Cl5.		11.0	774.9482	-0.2 mmu 
C19.H28.N5.O2.F6.S4.Cl5.		11.0	774.9473	+0.7 mmu 
C16.H29.N5.O3.F7.S4.Cl5.		7.0	774.9484	-0.4 mmu 
C28.H31.N3.O2.P1.S4.Cl5.		22.0	774.9479	+0.1 mmu 
C13.H27.N15.O3.P1.S4.Cl5.		15.0	774.9484	-0.4 mmu 
C15.H39.N1.O13.P1.S4.Cl5.		4.0	774.9484	-0.4 mmu 
C18.H29.N9.O2.F2.P1.S4.Cl5.		15.0	774.9475	+0.5 mmu 
C15.H30.N9.O3.F3.P1.S4.Cl5.		11.0	774.9487	-0.7 mmu 
C14.H34.N5.O7.F3.P1.S4.Cl5.		6.0	774.9473	+0.7 mmu 
C20.H32.N3.O2.F5.P1.S4.Cl5.		11.0	774.9478	+0.2 mmu 
C10.H30.N9.O2.F7.P1.S4.Cl5.		4.0	774.9474	+0.6 mmu 
C12.H33.N3.O2.F10.P1.S4.Cl5.		0.0	774.9476	+0.4 mmu 
C19.H33.N7.O2.F1.P2.S4.Cl5.		15.0	774.9480	-0.0 mmu 
C15.H38.N3.O7.F2.P2.S4.Cl5.		6.0	774.9479	+0.1 mmu 
C21.H36.N1.O2.F4.P2.S4.Cl5.		11.0	774.9483	-0.3 mmu 
C13.H37.N1.O2.F9.P2.S4.Cl5.		0.0	774.9481	-0.1 mmu 
C20.H37.N5.O2.P3.S4.Cl5.		15.0	774.9486	-0.6 mmu 
C16.H42.N1.O7.F1.P3.S4.Cl5.		6.0	774.9484	-0.4 mmu 
C15.H37.N5.O1.F4.P3.S4.Cl5.		8.0	774.9473	+0.7 mmu 
C16.H41.N3.O1.F3.P4.S4.Cl5.		8.0	774.9478	+0.2 mmu 
C17.H45.N1.O1.F2.P5.S4.Cl5.		8.0	774.9483	-0.3 mmu 
C26.H34.N1.O5.S5.Cl5.		18.0	774.9483	-0.3 mmu 
C20.H27.N11.F1.S5.Cl5.		20.0	774.9481	-0.1 mmu 
C16.H32.N7.O5.F2.S5.Cl5.		11.0	774.9479	+0.1 mmu 
C10.H25.N17.F3.S5.Cl5.		13.0	774.9477	+0.3 mmu 
C22.H30.N5.F4.S5.Cl5.		16.0	774.9484	-0.4 mmu 
C18.H35.N1.O5.F5.S5.Cl5.		7.0	774.9482	-0.2 mmu 
C12.H28.N11.F6.S5.Cl5.		9.0	774.9480	+0.0 mmu 
C14.H31.N5.F9.S5.Cl5.		5.0	774.9482	-0.2 mmu 
C21.H31.N9.P1.S5.Cl5.		20.0	774.9486	-0.6 mmu 
C20.H35.N5.O4.P1.S5.Cl5.		15.0	774.9473	+0.7 mmu 
C17.H36.N5.O5.F1.P1.S5.Cl5.		11.0	774.9484	-0.4 mmu 
C11.H29.N15.F2.P1.S5.Cl5.		13.0	774.9482	-0.2 mmu 
C13.H32.N9.F5.P1.S5.Cl5.		9.0	774.9485	-0.5 mmu 
C15.H35.N3.F8.P1.S5.Cl5.		5.0	774.9487	-0.7 mmu 
C12.H33.N13.F1.P2.S5.Cl5.		13.0	774.9487	-0.7 mmu 
C18.H38.N3.O7.S6.Cl5.		11.0	774.9477	+0.3 mmu 
C12.H31.N13.O2.F1.S6.Cl5.		13.0	774.9475	+0.5 mmu 
C24.H36.N1.O2.F2.S6.Cl5.		16.0	774.9481	-0.1 mmu 
C14.H34.N7.O2.F4.S6.Cl5.		9.0	774.9477	+0.3 mmu 
C16.H37.N1.O2.F7.S6.Cl5.		5.0	774.9479	+0.1 mmu 
C13.H35.N11.O2.P1.S6.Cl5.		13.0	774.9480	+0.0 mmu 
C15.H38.N5.O2.F3.P1.S6.Cl5.		9.0	774.9482	-0.2 mmu 
C19.H41.N3.O1.F1.P2.S6.Cl5.		13.0	774.9476	+0.4 mmu 
C16.H42.N3.O2.F2.P2.S6.Cl5.		9.0	774.9487	-0.7 mmu 
C20.H45.N1.O1.P3.S6.Cl5.		13.0	774.9481	-0.1 mmu 
C16.H40.N3.O4.F2.S7.Cl5.		9.0	774.9474	+0.6 mmu 
C17.H44.N1.O4.F1.P1.S7.Cl5.		9.0	774.9480	+0.0 mmu 
C19.H42.N3.O2.S8.Cl5.		14.0	774.9485	-0.5 mmu 
C14.H42.N3.O1.F4.S8.Cl5.		7.0	774.9472	+0.8 mmu 
C28.H19.N7.O7.Cl6.		20.0	774.9477	+0.3 mmu 
C13.H15.N19.O8.Cl6.		13.0	774.9482	-0.2 mmu 
C15.H27.N5.O18.Cl6.		2.0	774.9482	-0.2 mmu 
C22.H12.N17.O2.F1.Cl6.		22.0	774.9475	+0.5 mmu 
C24.H24.N3.O12.F1.Cl6.		11.0	774.9475	+0.5 mmu 
C34.H17.N5.O2.F2.Cl6.		25.0	774.9481	-0.1 mmu 
C19.H13.N17.O3.F2.Cl6.		18.0	774.9487	-0.7 mmu 
C18.H17.N13.O7.F2.Cl6.		13.0	774.9473	+0.7 mmu 
C21.H25.N3.O13.F2.Cl6.		7.0	774.9487	-0.7 mmu 
C30.H22.N1.O7.F3.Cl6.		16.0	774.9480	+0.0 mmu 
C15.H18.N13.O8.F3.Cl6.		9.0	774.9485	-0.5 mmu 
C24.H15.N11.O2.F4.Cl6.		18.0	774.9477	+0.3 mmu 
C11.H23.N9.O13.F4.Cl6.		0.0	774.9483	-0.3 mmu 
C20.H20.N7.O7.F5.Cl6.		9.0	774.9476	+0.4 mmu 
C14.H13.N17.O2.F6.Cl6.		11.0	774.9473	+0.7 mmu 
C17.H21.N7.O8.F6.Cl6.		5.0	774.9487	-0.7 mmu 
C16.H25.N3.O12.F6.Cl6.		0.0	774.9474	+0.6 mmu 
C26.H18.N5.O2.F7.Cl6.		14.0	774.9480	+0.0 mmu 
C11.H14.N17.O3.F7.Cl6.		7.0	774.9485	-0.5 mmu 
C22.H23.N1.O7.F8.Cl6.		5.0	774.9478	+0.2 mmu 
C16.H16.N11.O2.F9.Cl6.		7.0	774.9476	+0.4 mmu 
C13.H17.N11.O3.F10.Cl6.		3.0	774.9487	-0.7 mmu 
C18.H19.N5.O2.F12.Cl6.		3.0	774.9478	+0.2 mmu 
C38.H20.N3.O1.P1.Cl6.		29.0	774.9475	+0.5 mmu 
C23.H16.N15.O2.P1.Cl6.		22.0	774.9480	-0.0 mmu 
C25.H28.N1.O12.P1.Cl6.		11.0	774.9480	-0.0 mmu 
C35.H21.N3.O2.F1.P1.Cl6.		25.0	774.9487	-0.7 mmu 
C19.H21.N11.O7.F1.P1.Cl6.		13.0	774.9478	+0.2 mmu 
C13.H14.N21.O2.F2.P1.Cl6.		15.0	774.9476	+0.4 mmu 
C15.H26.N7.O12.F2.P1.Cl6.		4.0	774.9476	+0.4 mmu 
C25.H19.N9.O2.F3.P1.Cl6.		18.0	774.9483	-0.3 mmu 
C9.H19.N17.O7.F3.P1.Cl6.		6.0	774.9474	+0.6 mmu 
C12.H27.N7.O13.F3.P1.Cl6.		0.0	774.9488	-0.8 mmu 
C21.H24.N5.O7.F4.P1.Cl6.		9.0	774.9481	-0.1 mmu 
C30.H21.N3.O1.F5.P1.Cl6.		18.0	774.9474	+0.6 mmu 
C15.H17.N15.O2.F5.P1.Cl6.		11.0	774.9479	+0.1 mmu 
C17.H29.N1.O12.F5.P1.Cl6.		0.0	774.9479	+0.1 mmu 
C27.H22.N3.O2.F6.P1.Cl6.		14.0	774.9485	-0.5 mmu 
C11.H22.N11.O7.F6.P1.Cl6.		2.0	774.9477	+0.3 mmu 
C17.H20.N9.O2.F8.P1.Cl6.		7.0	774.9481	-0.1 mmu 
C19.H23.N3.O2.F11.P1.Cl6.		3.0	774.9483	-0.3 mmu 
C20.H25.N9.O7.P2.Cl6.		13.0	774.9483	-0.3 mmu 
C29.H22.N7.O1.F1.P2.Cl6.		22.0	774.9476	+0.4 mmu 
C14.H18.N19.O2.F1.P2.Cl6.		15.0	774.9481	-0.1 mmu 
C16.H30.N5.O12.F1.P2.Cl6.		4.0	774.9481	-0.1 mmu 
C26.H23.N7.O2.F2.P2.Cl6.		18.0	774.9488	-0.8 mmu 
C25.H27.N3.O6.F2.P2.Cl6.		13.0	774.9474	+0.6 mmu 
C10.H23.N15.O7.F2.P2.Cl6.		6.0	774.9479	+0.1 mmu 
C19.H20.N13.O1.F3.P2.Cl6.		15.0	774.9472	+0.8 mmu 
C22.H28.N3.O7.F3.P2.Cl6.		9.0	774.9486	-0.6 mmu 
C31.H25.N1.O1.F4.P2.Cl6.		18.0	774.9479	+0.1 mmu 
C16.H21.N13.O2.F4.P2.Cl6.		11.0	774.9484	-0.4 mmu 
C12.H26.N9.O7.F5.P2.Cl6.		2.0	774.9482	-0.2 mmu 
C21.H23.N7.O1.F6.P2.Cl6.		11.0	774.9475	+0.5 mmu 
C18.H24.N7.O2.F7.P2.Cl6.		7.0	774.9486	-0.6 mmu 
C17.H28.N3.O6.F7.P2.Cl6.		2.0	774.9473	+0.7 mmu 
C23.H26.N1.O1.F9.P2.Cl6.		7.0	774.9477	+0.3 mmu 
C8.H22.N13.O2.F9.P2.Cl6.		0.0	774.9482	-0.2 mmu 
C13.H24.N7.O1.F11.P2.Cl6.		0.0	774.9473	+0.7 mmu 
C30.H26.N5.O1.P3.Cl6.		22.0	774.9481	-0.1 mmu 
C15.H22.N17.O2.P3.Cl6.		15.0	774.9486	-0.6 mmu 
C14.H26.N13.O6.P3.Cl6.		10.0	774.9473	+0.7 mmu 
C17.H34.N3.O12.P3.Cl6.		4.0	774.9486	-0.6 mmu 
C26.H31.N1.O6.F1.P3.Cl6.		13.0	774.9479	+0.1 mmu 
C11.H27.N13.O7.F1.P3.Cl6.		6.0	774.9484	-0.4 mmu 
C20.H24.N11.O1.F2.P3.Cl6.		15.0	774.9477	+0.3 mmu 
C16.H29.N7.O6.F3.P3.Cl6.		6.0	774.9475	+0.5 mmu 
C10.H22.N17.O1.F4.P3.Cl6.		8.0	774.9473	+0.7 mmu 
C13.H30.N7.O7.F4.P3.Cl6.		2.0	774.9487	-0.7 mmu 
C22.H27.N5.O1.F5.P3.Cl6.		11.0	774.9480	+0.0 mmu 
C18.H32.N1.O6.F6.P3.Cl6.		2.0	774.9478	+0.2 mmu 
C12.H25.N11.O1.F7.P3.Cl6.		4.0	774.9476	+0.4 mmu 
C14.H28.N5.O1.F10.P3.Cl6.		0.0	774.9478	+0.2 mmu 
C21.H28.N9.O1.F1.P4.Cl6.		15.0	774.9482	-0.2 mmu 
C17.H33.N5.O6.F2.P4.Cl6.		6.0	774.9481	-0.1 mmu 
C26.H30.N3.F3.P4.Cl6.		15.0	774.9473	+0.7 mmu 
C23.H31.N3.O1.F4.P4.Cl6.		11.0	774.9485	-0.5 mmu 
C13.H29.N9.O1.F6.P4.Cl6.		4.0	774.9481	-0.1 mmu 
C15.H32.N3.O1.F9.P4.Cl6.		0.0	774.9483	-0.3 mmu 
C22.H32.N7.O1.P5.Cl6.		15.0	774.9488	-0.8 mmu 
C21.H36.N3.O5.P5.Cl6.		10.0	774.9474	+0.6 mmu 
C18.H37.N3.O6.F1.P5.Cl6.		6.0	774.9486	-0.6 mmu 
C27.H34.N1.F2.P5.Cl6.		15.0	774.9479	+0.1 mmu 
C17.H32.N7.F4.P5.Cl6.		8.0	774.9475	+0.5 mmu 
C19.H35.N1.F7.P5.Cl6.		4.0	774.9477	+0.3 mmu 
C36.H23.N1.O4.S1.Cl6.		25.0	774.9479	+0.1 mmu 
C21.H19.N13.O5.S1.Cl6.		18.0	774.9484	-0.4 mmu 
C15.H12.N23.F1.S1.Cl6.		20.0	774.9482	-0.2 mmu 
C17.H24.N9.O10.F1.S1.Cl6.		9.0	774.9482	-0.2 mmu 
C26.H21.N7.O4.F2.S1.Cl6.		18.0	774.9475	+0.5 mmu 
C11.H17.N19.O5.F2.S1.Cl6.		11.0	774.9480	+0.0 mmu 
C13.H29.N5.O15.F2.S1.Cl6.		0.0	774.9480	-0.0 mmu 
C23.H22.N7.O5.F3.S1.Cl6.		14.0	774.9486	-0.6 mmu 
C22.H26.N3.O9.F3.S1.Cl6.		9.0	774.9473	+0.7 mmu 
C17.H15.N17.F4.S1.Cl6.		16.0	774.9484	-0.4 mmu 
C19.H27.N3.O10.F4.S1.Cl6.		5.0	774.9484	-0.4 mmu 
C28.H24.N1.O4.F5.S1.Cl6.		14.0	774.9477	+0.3 mmu 
C13.H20.N13.O5.F5.S1.Cl6.		7.0	774.9482	-0.2 mmu 
C19.H18.N11.F7.S1.Cl6.		12.0	774.9487	-0.7 mmu 
C18.H22.N7.O4.F7.S1.Cl6.		7.0	774.9473	+0.7 mmu 
C15.H23.N7.O5.F8.S1.Cl6.		3.0	774.9485	-0.5 mmu 
C9.H16.N17.F9.S1.Cl6.		5.0	774.9483	-0.3 mmu 
C20.H25.N1.O4.F10.S1.Cl6.		3.0	774.9476	+0.4 mmu 
C11.H19.N11.F12.S1.Cl6.		1.0	774.9485	-0.5 mmu 
C16.H16.N21.P1.S1.Cl6.		20.0	774.9487	-0.7 mmu 
C15.H20.N17.O4.P1.S1.Cl6.		15.0	774.9474	+0.6 mmu 
C18.H28.N7.O10.P1.S1.Cl6.		9.0	774.9487	-0.7 mmu 
C17.H32.N3.O14.P1.S1.Cl6.		4.0	774.9474	+0.6 mmu 
C27.H25.N5.O4.F1.P1.S1.Cl6.		18.0	774.9480	-0.0 mmu 
C12.H21.N17.O5.F1.P1.S1.Cl6.		11.0	774.9485	-0.5 mmu 
C14.H33.N3.O15.F1.P1.S1.Cl6.		0.0	774.9485	-0.5 mmu 
C23.H30.N1.O9.F2.P1.S1.Cl6.		9.0	774.9478	+0.2 mmu 
C17.H23.N11.O4.F3.P1.S1.Cl6.		11.0	774.9476	+0.4 mmu 
C14.H24.N11.O5.F4.P1.S1.Cl6.		7.0	774.9487	-0.7 mmu 
C13.H28.N7.O9.F4.P1.S1.Cl6.		2.0	774.9474	+0.6 mmu 
C19.H26.N5.O4.F6.P1.S1.Cl6.		7.0	774.9478	+0.2 mmu 
C9.H24.N11.O4.F8.P1.S1.Cl6.		0.0	774.9474	+0.6 mmu 
C28.H29.N3.O4.P2.S1.Cl6.		18.0	774.9485	-0.5 mmu 
C12.H29.N11.O9.P2.S1.Cl6.		6.0	774.9477	+0.3 mmu 
C18.H27.N9.O4.F2.P2.S1.Cl6.		11.0	774.9481	-0.1 mmu 
C14.H32.N5.O9.F3.P2.S1.Cl6.		2.0	774.9479	+0.1 mmu 
C20.H30.N3.O4.F5.P2.S1.Cl6.		7.0	774.9484	-0.4 mmu 
C10.H28.N9.O4.F7.P2.S1.Cl6.		0.0	774.9480	+0.0 mmu 
C22.H30.N7.O3.P3.S1.Cl6.		15.0	774.9475	+0.5 mmu 
C19.H31.N7.O4.F1.P3.S1.Cl6.		11.0	774.9486	-0.6 mmu 
C18.H35.N3.O8.F1.P3.S1.Cl6.		6.0	774.9473	+0.7 mmu 
C15.H36.N3.O9.F2.P3.S1.Cl6.		2.0	774.9484	-0.4 mmu 
C24.H33.N1.O3.F3.P3.S1.Cl6.		11.0	774.9477	+0.3 mmu 
C14.H31.N7.O3.F5.P3.S1.Cl6.		4.0	774.9473	+0.7 mmu 
C11.H32.N7.O4.F6.P3.S1.Cl6.		0.0	774.9485	-0.5 mmu 
C16.H34.N1.O3.F8.P3.S1.Cl6.		0.0	774.9476	+0.4 mmu 
C19.H39.N1.O8.P4.S1.Cl6.		6.0	774.9478	+0.2 mmu 
C13.H32.N11.O3.F1.P4.S1.Cl6.		8.0	774.9476	+0.4 mmu 
C15.H35.N5.O3.F4.P4.S1.Cl6.		4.0	774.9478	+0.2 mmu 
C16.H39.N3.O3.F3.P5.S1.Cl6.		4.0	774.9483	-0.3 mmu 
C20.H42.N1.O2.F1.P6.S1.Cl6.		8.0	774.9477	+0.3 mmu 
C29.H23.N7.O2.S2.Cl6.		23.0	774.9486	-0.6 mmu 
C28.H27.N3.O6.S2.Cl6.		18.0	774.9472	+0.8 mmu 
C13.H23.N15.O7.S2.Cl6.		11.0	774.9477	+0.3 mmu 
C15.H35.N1.O17.S2.Cl6.		0.0	774.9478	+0.2 mmu 
C25.H28.N3.O7.F1.S2.Cl6.		14.0	774.9484	-0.4 mmu 
C34.H25.N1.O1.F2.S2.Cl6.		23.0	774.9477	+0.3 mmu 
C19.H21.N13.O2.F2.S2.Cl6.		16.0	774.9482	-0.2 mmu 
C15.H26.N9.O7.F3.S2.Cl6.		7.0	774.9480	+0.0 mmu 
C24.H23.N7.O1.F4.S2.Cl6.		16.0	774.9473	+0.7 mmu 
C21.H24.N7.O2.F5.S2.Cl6.		12.0	774.9484	-0.4 mmu 
C17.H29.N3.O7.F6.S2.Cl6.		3.0	774.9482	-0.2 mmu 
C26.H26.N1.O1.F7.S2.Cl6.		12.0	774.9475	+0.5 mmu 
C11.H22.N13.O2.F7.S2.Cl6.		5.0	774.9480	-0.0 mmu 
C23.H27.N1.O2.F8.S2.Cl6.		8.0	774.9487	-0.7 mmu 
C13.H25.N7.O2.F10.S2.Cl6.		1.0	774.9483	-0.3 mmu 
C18.H27.N1.O1.F12.S2.Cl6.		1.0	774.9474	+0.6 mmu 
C23.H24.N11.O1.P1.S2.Cl6.		20.0	774.9475	+0.5 mmu 
C20.H25.N11.O2.F1.P1.S2.Cl6.		16.0	774.9487	-0.7 mmu 
C19.H29.N7.O6.F1.P1.S2.Cl6.		11.0	774.9474	+0.6 mmu 
C16.H30.N7.O7.F2.P1.S2.Cl6.		7.0	774.9485	-0.5 mmu 
C25.H27.N5.O1.F3.P1.S2.Cl6.		16.0	774.9478	+0.2 mmu 
C10.H23.N17.O2.F3.P1.S2.Cl6.		9.0	774.9483	-0.3 mmu 
C21.H32.N1.O6.F4.P1.S2.Cl6.		7.0	774.9476	+0.4 mmu 
C15.H25.N11.O1.F5.P1.S2.Cl6.		9.0	774.9474	+0.6 mmu 
C18.H33.N1.O7.F5.P1.S2.Cl6.		3.0	774.9487	-0.7 mmu 
C12.H26.N11.O2.F6.P1.S2.Cl6.		5.0	774.9485	-0.5 mmu 
C17.H28.N5.O1.F8.P1.S2.Cl6.		5.0	774.9476	+0.4 mmu 
C14.H29.N5.O2.F9.P1.S2.Cl6.		1.0	774.9488	-0.8 mmu 
C20.H33.N5.O6.P2.S2.Cl6.		11.0	774.9479	+0.1 mmu 
C14.H26.N15.O1.F1.P2.S2.Cl6.		13.0	774.9477	+0.3 mmu 
C16.H38.N1.O11.F1.P2.S2.Cl6.		2.0	774.9477	+0.3 mmu 
C26.H31.N3.O1.F2.P2.S2.Cl6.		16.0	774.9483	-0.3 mmu 
C16.H29.N9.O1.F4.P2.S2.Cl6.		9.0	774.9479	+0.1 mmu 
C12.H34.N5.O6.F5.P2.S2.Cl6.		0.0	774.9477	+0.3 mmu 
C18.H32.N3.O1.F7.P2.S2.Cl6.		5.0	774.9481	-0.1 mmu 
C30.H34.N1.P3.S2.Cl6.		20.0	774.9477	+0.3 mmu 
C15.H30.N13.O1.P3.S2.Cl6.		13.0	774.9482	-0.2 mmu 
C20.H32.N7.F2.P3.S2.Cl6.		13.0	774.9473	+0.7 mmu 
C17.H33.N7.O1.F3.P3.S2.Cl6.		9.0	774.9484	-0.4 mmu 
C13.H38.N3.O6.F4.P3.S2.Cl6.		0.0	774.9482	-0.2 mmu 
C22.H35.N1.F5.P3.S2.Cl6.		9.0	774.9475	+0.5 mmu 
C19.H36.N1.O1.F6.P3.S2.Cl6.		5.0	774.9487	-0.7 mmu 
C21.H36.N5.F1.P4.S2.Cl6.		13.0	774.9478	+0.2 mmu 
C17.H41.N1.O5.F2.P4.S2.Cl6.		4.0	774.9476	+0.4 mmu 
C14.H42.N1.O6.F3.P4.S2.Cl6.		0.0	774.9487	-0.7 mmu 
C13.H37.N5.F6.P4.S2.Cl6.		2.0	774.9476	+0.4 mmu 
C22.H40.N3.P5.S2.Cl6.		13.0	774.9483	-0.3 mmu 
C21.H27.N9.O4.S3.Cl6.		16.0	774.9479	+0.1 mmu 
C17.H32.N5.O9.F1.S3.Cl6.		7.0	774.9477	+0.3 mmu 
C11.H25.N15.O4.F2.S3.Cl6.		9.0	774.9475	+0.5 mmu 
C23.H30.N3.O4.F3.S3.Cl6.		12.0	774.9482	-0.2 mmu 
C13.H28.N9.O4.F5.S3.Cl6.		5.0	774.9478	+0.2 mmu 
C15.H31.N3.O4.F8.S3.Cl6.		1.0	774.9480	-0.0 mmu 
C18.H36.N3.O9.P1.S3.Cl6.		7.0	774.9482	-0.2 mmu 
C27.H33.N1.O3.F1.P1.S3.Cl6.		16.0	774.9475	+0.5 mmu 
C12.H29.N13.O4.F1.P1.S3.Cl6.		9.0	774.9480	-0.0 mmu 
C24.H34.N1.O4.F2.P1.S3.Cl6.		12.0	774.9487	-0.7 mmu 
C14.H32.N7.O4.F4.P1.S3.Cl6.		5.0	774.9483	-0.3 mmu 
C19.H34.N1.O3.F6.P1.S3.Cl6.		5.0	774.9474	+0.6 mmu 
C16.H35.N1.O4.F7.P1.S3.Cl6.		1.0	774.9485	-0.5 mmu 
C13.H33.N11.O4.P2.S3.Cl6.		9.0	774.9485	-0.5 mmu 
C18.H35.N5.O3.F2.P2.S3.Cl6.		9.0	774.9476	+0.4 mmu 
C14.H40.N1.O8.F3.P2.S3.Cl6.		0.0	774.9475	+0.5 mmu 
C19.H39.N3.O3.F1.P3.S3.Cl6.		9.0	774.9482	-0.2 mmu 
C20.H43.N1.O3.P4.S3.Cl6.		9.0	774.9487	-0.7 mmu 
C15.H43.N1.O2.F4.P4.S3.Cl6.		2.0	774.9474	+0.6 mmu 
C29.H31.N3.O1.S4.Cl6.		21.0	774.9481	-0.1 mmu 
C14.H27.N15.O2.S4.Cl6.		14.0	774.9486	-0.6 mmu 
C13.H31.N11.O6.S4.Cl6.		9.0	774.9473	+0.7 mmu 
C16.H39.N1.O12.S4.Cl6.		3.0	774.9486	-0.6 mmu 
C19.H29.N9.O1.F2.S4.Cl6.		14.0	774.9477	+0.3 mmu 
C15.H34.N5.O6.F3.S4.Cl6.		5.0	774.9475	+0.5 mmu 
C9.H27.N15.O1.F4.S4.Cl6.		7.0	774.9473	+0.7 mmu 
C12.H35.N5.O7.F4.S4.Cl6.		1.0	774.9487	-0.7 mmu 
C21.H32.N3.O1.F5.S4.Cl6.		10.0	774.9480	+0.0 mmu 
C11.H30.N9.O1.F7.S4.Cl6.		3.0	774.9476	+0.4 mmu 
C20.H33.N7.O1.F1.P1.S4.Cl6.		14.0	774.9482	-0.2 mmu 
C16.H38.N3.O6.F2.P1.S4.Cl6.		5.0	774.9480	-0.0 mmu 
C25.H35.N1.F3.P1.S4.Cl6.		14.0	774.9473	+0.7 mmu 
C22.H36.N1.O1.F4.P1.S4.Cl6.		10.0	774.9485	-0.5 mmu 
C12.H34.N7.O1.F6.P1.S4.Cl6.		3.0	774.9481	-0.1 mmu 
C21.H37.N5.O1.P2.S4.Cl6.		14.0	774.9487	-0.7 mmu 
C20.H41.N1.O5.P2.S4.Cl6.		9.0	774.9474	+0.6 mmu 
C17.H42.N1.O6.F1.P2.S4.Cl6.		5.0	774.9485	-0.5 mmu 
C16.H37.N5.F4.P2.S4.Cl6.		7.0	774.9474	+0.6 mmu 
C13.H38.N5.O1.F5.P2.S4.Cl6.		3.0	774.9486	-0.6 mmu 
C15.H38.N9.P3.S4.Cl6.		11.0	774.9477	+0.3 mmu 
C17.H41.N3.F3.P3.S4.Cl6.		7.0	774.9479	+0.1 mmu 
C18.H45.N1.F2.P4.S4.Cl6.		7.0	774.9485	-0.5 mmu 
C21.H35.N5.O3.S5.Cl6.		14.0	774.9475	+0.5 mmu 
C18.H36.N5.O4.F1.S5.Cl6.		10.0	774.9486	-0.6 mmu 
C17.H40.N1.O8.F1.S5.Cl6.		5.0	774.9473	+0.7 mmu 
C14.H41.N1.O9.F2.S5.Cl6.		1.0	774.9484	-0.4 mmu 
C13.H36.N5.O3.F5.S5.Cl6.		3.0	774.9473	+0.7 mmu 
C14.H40.N3.O3.F4.P1.S5.Cl6.		3.0	774.9478	+0.2 mmu 
C15.H44.N1.O3.F3.P2.S5.Cl6.		3.0	774.9483	-0.3 mmu 
C14.H35.N11.O1.S6.Cl6.		12.0	774.9481	-0.1 mmu 
C19.H37.N5.F2.S6.Cl6.		12.0	774.9472	+0.8 mmu 
C16.H38.N5.O1.F3.S6.Cl6.		8.0	774.9484	-0.4 mmu 
C20.H41.N3.F1.P1.S6.Cl6.		12.0	774.9478	+0.2 mmu 
C21.H45.N1.P2.S6.Cl6.		12.0	774.9483	-0.3 mmu 
C18.H44.N1.O3.F1.S7.Cl6.		8.0	774.9481	-0.1 mmu 
C16.H46.N1.F3.S8.Cl6.		6.0	774.9479	+0.1 mmu 
C39.H20.N3.Cl7.		28.0	774.9477	+0.3 mmu 
C24.H16.N15.O1.Cl7.		21.0	774.9482	-0.2 mmu 
C26.H28.N1.O11.Cl7.		10.0	774.9482	-0.2 mmu 
C11.H24.N13.O12.Cl7.		3.0	774.9487	-0.7 mmu 
C20.H21.N11.O6.F1.Cl7.		12.0	774.9480	+0.0 mmu 
C29.H18.N9.F2.Cl7.		21.0	774.9473	+0.7 mmu 
C14.H14.N21.O1.F2.Cl7.		14.0	774.9478	+0.2 mmu 
C16.H26.N7.O11.F2.Cl7.		3.0	774.9478	+0.2 mmu 
C26.H19.N9.O1.F3.Cl7.		17.0	774.9484	-0.4 mmu 
C10.H19.N17.O6.F3.Cl7.		5.0	774.9476	+0.4 mmu 
C22.H24.N5.O6.F4.Cl7.		8.0	774.9482	-0.2 mmu 
C31.H21.N3.F5.Cl7.		17.0	774.9475	+0.5 mmu 
C16.H17.N15.O1.F5.Cl7.		10.0	774.9480	-0.0 mmu 
C28.H22.N3.O1.F6.Cl7.		13.0	774.9487	-0.7 mmu 
C12.H22.N11.O6.F6.Cl7.		1.0	774.9478	+0.2 mmu 
C18.H20.N9.O1.F8.Cl7.		6.0	774.9483	-0.3 mmu 
C23.H22.N3.F10.Cl7.		6.0	774.9474	+0.6 mmu 
C20.H23.N3.O1.F11.Cl7.		2.0	774.9485	-0.5 mmu 
C21.H25.N9.O6.P1.Cl7.		12.0	774.9485	-0.5 mmu 
C30.H22.N7.F1.P1.Cl7.		21.0	774.9478	+0.2 mmu 
C15.H18.N19.O1.F1.P1.Cl7.		14.0	774.9483	-0.3 mmu 
C17.H30.N5.O11.F1.P1.Cl7.		3.0	774.9483	-0.3 mmu 
C26.H27.N3.O5.F2.P1.Cl7.		12.0	774.9476	+0.4 mmu 
C11.H23.N15.O6.F2.P1.Cl7.		5.0	774.9481	-0.1 mmu 
C20.H20.N13.F3.P1.Cl7.		14.0	774.9474	+0.6 mmu 
C23.H28.N3.O6.F3.P1.Cl7.		8.0	774.9488	-0.8 mmu 
C32.H25.N1.F4.P1.Cl7.		17.0	774.9480	-0.0 mmu 
C17.H21.N13.O1.F4.P1.Cl7.		10.0	774.9485	-0.5 mmu 
C13.H26.N9.O6.F5.P1.Cl7.		1.0	774.9484	-0.4 mmu 
C22.H23.N7.F6.P1.Cl7.		10.0	774.9476	+0.4 mmu 
C18.H28.N3.O5.F7.P1.Cl7.		1.0	774.9474	+0.6 mmu 
C12.H21.N13.F8.P1.Cl7.		3.0	774.9472	+0.8 mmu 
C24.H26.N1.F9.P1.Cl7.		6.0	774.9479	+0.1 mmu 
C31.H26.N5.P2.Cl7.		21.0	774.9483	-0.3 mmu 
C15.H26.N13.O5.P2.Cl7.		9.0	774.9475	+0.5 mmu 
C27.H31.N1.O5.F1.P2.Cl7.		12.0	774.9481	-0.1 mmu 
C12.H27.N13.O6.F1.P2.Cl7.		5.0	774.9486	-0.6 mmu 
C11.H31.N9.O10.F1.P2.Cl7.		0.0	774.9473	+0.7 mmu 
C21.H24.N11.F2.P2.Cl7.		14.0	774.9479	+0.1 mmu 
C17.H29.N7.O5.F3.P2.Cl7.		5.0	774.9477	+0.3 mmu 
C11.H22.N17.F4.P2.Cl7.		7.0	774.9475	+0.5 mmu 
C23.H27.N5.F5.P2.Cl7.		10.0	774.9482	-0.2 mmu 
C19.H32.N1.O5.F6.P2.Cl7.		1.0	774.9480	+0.0 mmu 
C13.H25.N11.F7.P2.Cl7.		3.0	774.9478	+0.2 mmu 
C12.H35.N7.O10.P3.Cl7.		0.0	774.9478	+0.2 mmu 
C22.H28.N9.F1.P3.Cl7.		14.0	774.9484	-0.4 mmu 
C18.H33.N5.O5.F2.P3.Cl7.		5.0	774.9482	-0.2 mmu 
C12.H26.N15.F3.P3.Cl7.		7.0	774.9480	-0.0 mmu 
C24.H31.N3.F4.P3.Cl7.		10.0	774.9487	-0.7 mmu 
C14.H29.N9.F6.P3.Cl7.		3.0	774.9483	-0.3 mmu 
C22.H36.N3.O4.P4.Cl7.		9.0	774.9476	+0.4 mmu 
C19.H37.N3.O5.F1.P4.Cl7.		5.0	774.9487	-0.7 mmu 
C13.H30.N13.F2.P4.Cl7.		7.0	774.9485	-0.5 mmu 
C16.H20.N17.O3.S1.Cl7.		14.0	774.9475	+0.5 mmu 
C18.H32.N3.O13.S1.Cl7.		3.0	774.9476	+0.4 mmu 
C28.H25.N5.O3.F1.S1.Cl7.		17.0	774.9482	-0.2 mmu 
C13.H21.N17.O4.F1.S1.Cl7.		10.0	774.9487	-0.7 mmu 
C12.H25.N13.O8.F1.S1.Cl7.		5.0	774.9473	+0.7 mmu 
C24.H30.N1.O8.F2.S1.Cl7.		8.0	774.9480	+0.0 mmu 
C9.H26.N13.O9.F2.S1.Cl7.		1.0	774.9485	-0.5 mmu 
C18.H23.N11.O3.F3.S1.Cl7.		10.0	774.9478	+0.2 mmu 
C14.H28.N7.O8.F4.S1.Cl7.		1.0	774.9476	+0.4 mmu 
C20.H26.N5.O3.F6.S1.Cl7.		6.0	774.9480	-0.0 mmu 
C29.H29.N3.O3.P1.S1.Cl7.		17.0	774.9487	-0.7 mmu 
C13.H29.N11.O8.P1.S1.Cl7.		5.0	774.9479	+0.1 mmu 
C19.H27.N9.O3.F2.P1.S1.Cl7.		10.0	774.9483	-0.3 mmu 
C15.H32.N5.O8.F3.P1.S1.Cl7.		1.0	774.9481	-0.1 mmu 
C24.H29.N3.O2.F4.P1.S1.Cl7.		10.0	774.9474	+0.6 mmu 
C9.H25.N15.O3.F4.P1.S1.Cl7.		3.0	774.9479	+0.1 mmu 
C21.H30.N3.O3.F5.P1.S1.Cl7.		6.0	774.9485	-0.5 mmu 
C23.H30.N7.O2.P2.S1.Cl7.		14.0	774.9477	+0.3 mmu 
C19.H35.N3.O7.F1.P2.S1.Cl7.		5.0	774.9475	+0.5 mmu 
C13.H28.N13.O2.F2.P2.S1.Cl7.		7.0	774.9473	+0.7 mmu 
C16.H36.N3.O8.F2.P2.S1.Cl7.		1.0	774.9486	-0.6 mmu 
C25.H33.N1.O2.F3.P2.S1.Cl7.		10.0	774.9479	+0.1 mmu 
C10.H29.N13.O3.F3.P2.S1.Cl7.		3.0	774.9484	-0.4 mmu 
C15.H31.N7.O2.F5.P2.S1.Cl7.		3.0	774.9475	+0.5 mmu 
C20.H39.N1.O7.P3.S1.Cl7.		5.0	774.9480	+0.0 mmu 
C14.H32.N11.O2.F1.P3.S1.Cl7.		7.0	774.9478	+0.2 mmu 
C16.H35.N5.O2.F4.P3.S1.Cl7.		3.0	774.9480	-0.0 mmu 
C15.H36.N9.O2.P4.S1.Cl7.		7.0	774.9483	-0.3 mmu 
C20.H38.N3.O1.F2.P4.S1.Cl7.		7.0	774.9474	+0.6 mmu 
C17.H39.N3.O2.F3.P4.S1.Cl7.		3.0	774.9485	-0.5 mmu 
C21.H42.N1.O1.F1.P5.S1.Cl7.		7.0	774.9479	+0.1 mmu 
C24.H24.N11.S2.Cl7.		19.0	774.9477	+0.3 mmu 
C11.H32.N9.O11.S2.Cl7.		1.0	774.9482	-0.2 mmu 
C20.H29.N7.O5.F1.S2.Cl7.		10.0	774.9475	+0.5 mmu 
C14.H22.N17.F2.S2.Cl7.		12.0	774.9473	+0.7 mmu 
C17.H30.N7.O6.F2.S2.Cl7.		6.0	774.9487	-0.7 mmu 
C16.H34.N3.O10.F2.S2.Cl7.		1.0	774.9473	+0.7 mmu 
C26.H27.N5.F3.S2.Cl7.		15.0	774.9480	+0.0 mmu 
C11.H23.N17.O1.F3.S2.Cl7.		8.0	774.9485	-0.5 mmu 
C22.H32.N1.O5.F4.S2.Cl7.		6.0	774.9478	+0.2 mmu 
C16.H25.N11.F5.S2.Cl7.		8.0	774.9476	+0.4 mmu 
C13.H26.N11.O1.F6.S2.Cl7.		4.0	774.9487	-0.7 mmu 
C18.H28.N5.F8.S2.Cl7.		4.0	774.9478	+0.2 mmu 
C21.H33.N5.O5.P1.S2.Cl7.		10.0	774.9480	-0.0 mmu 
C15.H26.N15.F1.P1.S2.Cl7.		12.0	774.9478	+0.2 mmu 
C17.H38.N1.O10.F1.P1.S2.Cl7.		1.0	774.9478	+0.2 mmu 
C27.H31.N3.F2.P1.S2.Cl7.		15.0	774.9485	-0.5 mmu 
C11.H31.N11.O5.F2.P1.S2.Cl7.		3.0	774.9476	+0.4 mmu 
C17.H29.N9.F4.P1.S2.Cl7.		8.0	774.9481	-0.1 mmu 
C19.H32.N3.F7.P1.S2.Cl7.		4.0	774.9483	-0.3 mmu 
C16.H30.N13.P2.S2.Cl7.		12.0	774.9483	-0.3 mmu 
C12.H35.N9.O5.F1.P2.S2.Cl7.		3.0	774.9482	-0.2 mmu 
C18.H33.N7.F3.P2.S2.Cl7.		8.0	774.9486	-0.6 mmu 
C17.H37.N3.O4.F3.P2.S2.Cl7.		3.0	774.9472	+0.8 mmu 
C13.H39.N7.O5.P3.S2.Cl7.		3.0	774.9487	-0.7 mmu 
C18.H41.N1.O4.F2.P3.S2.Cl7.		3.0	774.9478	+0.2 mmu 
C19.H36.N3.O8.S3.Cl7.		6.0	774.9484	-0.4 mmu 
C28.H33.N1.O2.F1.S3.Cl7.		15.0	774.9477	+0.3 mmu 
C13.H29.N13.O3.F1.S3.Cl7.		8.0	774.9482	-0.2 mmu 
C18.H31.N7.O2.F3.S3.Cl7.		8.0	774.9473	+0.7 mmu 
C15.H32.N7.O3.F4.S3.Cl7.		4.0	774.9485	-0.5 mmu 
C20.H34.N1.O2.F6.S3.Cl7.		4.0	774.9476	+0.4 mmu 
C17.H35.N1.O3.F7.S3.Cl7.		0.0	774.9487	-0.7 mmu 
C14.H33.N11.O3.P1.S3.Cl7.		8.0	774.9487	-0.7 mmu 
C13.H37.N7.O7.P1.S3.Cl7.		3.0	774.9474	+0.6 mmu 
C19.H35.N5.O2.F2.P1.S3.Cl7.		8.0	774.9478	+0.2 mmu 
C20.H39.N3.O2.F1.P2.S3.Cl7.		8.0	774.9483	-0.3 mmu 
C14.H40.N7.O1.F1.P3.S3.Cl7.		5.0	774.9473	+0.7 mmu 
C16.H43.N1.O1.F4.P3.S3.Cl7.		1.0	774.9475	+0.5 mmu 
C15.H44.N5.O1.P4.S3.Cl7.		5.0	774.9478	+0.2 mmu 
C21.H33.N7.F1.S4.Cl7.		13.0	774.9484	-0.4 mmu 
C17.H38.N3.O5.F2.S4.Cl7.		4.0	774.9482	-0.2 mmu 
C11.H31.N13.F3.S4.Cl7.		6.0	774.9480	+0.0 mmu 
C23.H36.N1.F4.S4.Cl7.		9.0	774.9486	-0.6 mmu 
C13.H34.N7.F6.S4.Cl7.		2.0	774.9482	-0.2 mmu 
C21.H41.N1.O4.P1.S4.Cl7.		8.0	774.9476	+0.4 mmu 
C18.H42.N1.O5.F1.P1.S4.Cl7.		4.0	774.9487	-0.7 mmu 
C12.H35.N11.F2.P1.S4.Cl7.		6.0	774.9485	-0.5 mmu 
C14.H38.N5.F5.P1.S4.Cl7.		2.0	774.9488	-0.8 mmu 
C13.H37.N9.O2.F1.S5.Cl7.		6.0	774.9477	+0.3 mmu 
C15.H40.N3.O2.F4.S5.Cl7.		2.0	774.9480	+0.0 mmu 
C14.H41.N7.O2.P1.S5.Cl7.		6.0	774.9483	-0.3 mmu 
C19.H43.N1.O1.F2.P1.S5.Cl7.		6.0	774.9474	+0.6 mmu 
C16.H44.N1.O2.F3.P1.S5.Cl7.		2.0	774.9485	-0.5 mmu 
C22.H25.N9.O5.Cl8.		11.0	774.9487	-0.7 mmu 
C21.H29.N5.O9.Cl8.		6.0	774.9473	+0.7 mmu 
C16.H18.N19.F1.Cl8.		13.0	774.9485	-0.5 mmu 
C18.H30.N5.O10.F1.Cl8.		2.0	774.9485	-0.5 mmu 
C27.H27.N3.O4.F2.Cl8.		11.0	774.9478	+0.2 mmu 
C12.H23.N15.O5.F2.Cl8.		4.0	774.9483	-0.3 mmu 
C18.H21.N13.F4.Cl8.		9.0	774.9487	-0.7 mmu 
C17.H25.N9.O4.F4.Cl8.		4.0	774.9474	+0.6 mmu 
C14.H26.N9.O5.F5.Cl8.		0.0	774.9485	-0.5 mmu 
C19.H28.N3.O4.F7.Cl8.		0.0	774.9476	+0.4 mmu 
C16.H26.N13.O4.P1.Cl8.		8.0	774.9477	+0.3 mmu 
C28.H31.N1.O4.F1.P1.Cl8.		11.0	774.9483	-0.3 mmu 
C18.H29.N7.O4.F3.P1.Cl8.		4.0	774.9479	+0.1 mmu 
C20.H32.N1.O4.F6.P1.Cl8.		0.0	774.9481	-0.1 mmu 
C22.H32.N5.O3.F1.P2.Cl8.		8.0	774.9473	+0.7 mmu 
C19.H33.N5.O4.F2.P2.Cl8.		4.0	774.9484	-0.4 mmu 
C23.H36.N3.O3.P3.Cl8.		8.0	774.9478	+0.2 mmu 
C13.H34.N9.O3.F2.P3.Cl8.		1.0	774.9474	+0.6 mmu 
C14.H38.N7.O3.F1.P4.Cl8.		1.0	774.9479	+0.1 mmu 
C14.H29.N11.O7.S1.Cl8.		4.0	774.9480	-0.0 mmu 
C23.H26.N9.O1.F1.S1.Cl8.		13.0	774.9473	+0.7 mmu 
C20.H27.N9.O2.F2.S1.Cl8.		9.0	774.9485	-0.5 mmu 
C16.H32.N5.O7.F3.S1.Cl8.		0.0	774.9483	-0.3 mmu 
C25.H29.N3.O1.F4.S1.Cl8.		9.0	774.9476	+0.4 mmu 
C10.H25.N15.O2.F4.S1.Cl8.		2.0	774.9481	-0.1 mmu 
C22.H30.N3.O2.F5.S1.Cl8.		5.0	774.9487	-0.7 mmu 
C24.H30.N7.O1.P1.S1.Cl8.		13.0	774.9478	+0.2 mmu 
C20.H35.N3.O6.F1.P1.S1.Cl8.		4.0	774.9476	+0.4 mmu 
C14.H28.N13.O1.F2.P1.S1.Cl8.		6.0	774.9474	+0.6 mmu 
C26.H33.N1.O1.F3.P1.S1.Cl8.		9.0	774.9481	-0.1 mmu 
C11.H29.N13.O2.F3.P1.S1.Cl8.		2.0	774.9486	-0.6 mmu 
C16.H31.N7.O1.F5.P1.S1.Cl8.		2.0	774.9477	+0.3 mmu 
C21.H39.N1.O6.P2.S1.Cl8.		4.0	774.9482	-0.2 mmu 
C15.H32.N11.O1.F1.P2.S1.Cl8.		6.0	774.9479	+0.1 mmu 
C17.H35.N5.O1.F4.P2.S1.Cl8.		2.0	774.9482	-0.2 mmu 
C16.H36.N9.O1.P3.S1.Cl8.		6.0	774.9485	-0.5 mmu 
C21.H38.N3.F2.P3.S1.Cl8.		6.0	774.9476	+0.4 mmu 
C18.H39.N3.O1.F3.P3.S1.Cl8.		2.0	774.9487	-0.7 mmu 
C22.H42.N1.F1.P4.S1.Cl8.		6.0	774.9481	-0.1 mmu 
C22.H33.N5.O4.S2.Cl8.		9.0	774.9482	-0.2 mmu 
C18.H38.N1.O9.F1.S2.Cl8.		0.0	774.9480	-0.0 mmu 
C12.H31.N11.O4.F2.S2.Cl8.		2.0	774.9478	+0.2 mmu 
C13.H35.N9.O4.F1.P1.S2.Cl8.		2.0	774.9483	-0.3 mmu 
C18.H37.N3.O3.F3.P1.S2.Cl8.		2.0	774.9474	+0.6 mmu 
C19.H41.N1.O3.F2.P2.S2.Cl8.		2.0	774.9479	+0.1 mmu 
C14.H37.N7.O6.S3.Cl8.		2.0	774.9476	+0.4 mmu 
C20.H35.N5.O1.F2.S3.Cl8.		7.0	774.9480	-0.0 mmu 
C24.H38.N3.P1.S3.Cl8.		11.0	774.9474	+0.6 mmu 
C21.H39.N3.O1.F1.P1.S3.Cl8.		7.0	774.9485	-0.5 mmu 
C15.H40.N7.F1.P2.S3.Cl8.		4.0	774.9475	+0.5 mmu 
C17.H43.N1.F4.P2.S3.Cl8.		0.0	774.9477	+0.3 mmu 
C16.H44.N5.P3.S3.Cl8.		4.0	774.9480	+0.0 mmu 
C22.H41.N1.O3.S4.Cl8.		7.0	774.9477	+0.3 mmu 
C15.H41.N7.O1.S5.Cl8.		5.0	774.9484	-0.4 mmu 
C20.H43.N1.F2.S5.Cl8.		5.0	774.9475	+0.5 mmu 
C17.H44.N1.O1.F3.S5.Cl8.		1.0	774.9487	-0.7 mmu 
C32.H30.N1.O2.Cl9.		14.0	774.9473	+0.7 mmu 
C17.H26.N13.O3.Cl9.		7.0	774.9478	+0.2 mmu 
C29.H31.N1.O3.F1.Cl9.		10.0	774.9485	-0.5 mmu 
C19.H29.N7.O3.F3.Cl9.		3.0	774.9481	-0.1 mmu 
C23.H32.N5.O2.F1.P1.Cl9.		7.0	774.9474	+0.6 mmu 
C20.H33.N5.O3.F2.P1.Cl9.		3.0	774.9486	-0.6 mmu 
C24.H36.N3.O2.P2.Cl9.		7.0	774.9479	+0.1 mmu 
C14.H34.N9.O2.F2.P2.Cl9.		0.0	774.9476	+0.4 mmu 
C15.H38.N7.O2.F1.P3.Cl9.		0.0	774.9481	-0.1 mmu 
C16.H42.N5.O2.P4.Cl9.		0.0	774.9486	-0.6 mmu 
C25.H30.N7.S1.Cl9.		12.0	774.9480	-0.0 mmu 
C10.H26.N19.O1.S1.Cl9.		5.0	774.9485	-0.5 mmu 
C21.H35.N3.O5.F1.S1.Cl9.		3.0	774.9478	+0.2 mmu 
C15.H28.N13.F2.S1.Cl9.		5.0	774.9476	+0.4 mmu 
C27.H33.N1.F3.S1.Cl9.		8.0	774.9483	-0.3 mmu 
C12.H29.N13.O1.F3.S1.Cl9.		1.0	774.9488	-0.8 mmu 
C17.H31.N7.F5.S1.Cl9.		1.0	774.9479	+0.1 mmu 
C22.H39.N1.O5.P1.S1.Cl9.		3.0	774.9483	-0.3 mmu 
C16.H32.N11.F1.P1.S1.Cl9.		5.0	774.9481	-0.1 mmu 
C18.H35.N5.F4.P1.S1.Cl9.		1.0	774.9484	-0.4 mmu 
C17.H36.N9.P2.S1.Cl9.		5.0	774.9486	-0.6 mmu 
C16.H40.N5.O4.P2.S1.Cl9.		0.0	774.9473	+0.7 mmu 
C17.H34.N9.O2.S2.Cl9.		5.0	774.9474	+0.6 mmu 
C14.H35.N9.O3.F1.S2.Cl9.		1.0	774.9485	-0.5 mmu 
C19.H37.N3.O2.F3.S2.Cl9.		1.0	774.9476	+0.4 mmu 
C20.H41.N1.O2.F2.P1.S2.Cl9.		1.0	774.9481	-0.1 mmu 
C22.H39.N3.F1.S3.Cl9.		6.0	774.9487	-0.7 mmu 
C24.H32.N5.O1.F1.Cl10.		6.0	774.9476	+0.4 mmu 
C21.H33.N5.O2.F2.Cl10.		2.0	774.9488	-0.8 mmu 
C25.H36.N3.O1.P1.Cl10.		6.0	774.9481	-0.1 mmu 
C23.H39.N1.O4.S1.Cl10.		2.0	774.9485	-0.5 mmu 
C21.H41.N1.O1.F2.S2.Cl10.		0.0	774.9483	-0.3 mmu 
C26.H36.N3.Cl11.		5.0	774.9483	-0.3 mmu 
C22.H14.N7.O20.Br1.		19.0	774.9477	+0.3 mmu 
C32.H7.N9.O10.F1.Br1.		33.0	774.9483	-0.3 mmu 
C16.H7.N17.O15.F1.Br1.		21.0	774.9475	+0.5 mmu 
C26.N19.O5.F2.Br1.		35.0	774.9481	-0.1 mmu 
C28.H12.N5.O15.F2.Br1.		24.0	774.9481	-0.1 mmu 
C37.H9.N3.O9.F3.Br1.		33.0	774.9474	+0.6 mmu 
C22.H5.N15.O10.F3.Br1.		26.0	774.9479	+0.1 mmu 
C24.H17.N1.O20.F3.Br1.		15.0	774.9479	+0.1 mmu 
C34.H10.N3.O10.F4.Br1.		29.0	774.9486	-0.6 mmu 
C18.H10.N11.O15.F4.Br1.		17.0	774.9477	+0.3 mmu 
C12.H3.N21.O10.F5.Br1.		19.0	774.9475	+0.5 mmu 
C24.H8.N9.O10.F6.Br1.		22.0	774.9482	-0.2 mmu 
C20.H13.N5.O15.F7.Br1.		13.0	774.9480	+0.0 mmu 
C30.H6.N7.O5.F8.Br1.		27.0	774.9486	-0.6 mmu 
C29.H10.N3.O9.F8.Br1.		22.0	774.9473	+0.7 mmu 
C14.H6.N15.O10.F8.Br1.		15.0	774.9478	+0.2 mmu 
C26.H11.N3.O10.F9.Br1.		18.0	774.9484	-0.4 mmu 
C35.H8.N1.O4.F10.Br1.		27.0	774.9477	+0.3 mmu 
C20.H4.N13.O5.F10.Br1.		20.0	774.9482	-0.2 mmu 
C16.H9.N9.O10.F11.Br1.		11.0	774.9480	-0.0 mmu 
C25.H6.N7.O4.F12.Br1.		20.0	774.9473	+0.7 mmu 
C10.H2.N19.O5.F12.Br1.		13.0	774.9478	+0.2 mmu 
C32.H15.N3.O14.P1.Br1.		28.0	774.9475	+0.5 mmu 
C17.H11.N15.O15.P1.Br1.		21.0	774.9480	-0.0 mmu 
C26.H8.N13.O9.F1.P1.Br1.		30.0	774.9473	+0.7 mmu 
C29.H16.N3.O15.F1.P1.Br1.		24.0	774.9486	-0.6 mmu 
C38.H13.N1.O9.F2.P1.Br1.		33.0	774.9479	+0.1 mmu 
C23.H9.N13.O10.F2.P1.Br1.		26.0	774.9484	-0.4 mmu 
C19.H14.N9.O15.F3.P1.Br1.		17.0	774.9482	-0.2 mmu 
C28.H11.N7.O9.F4.P1.Br1.		26.0	774.9475	+0.5 mmu 
C13.H7.N19.O10.F4.P1.Br1.		19.0	774.9480	-0.0 mmu 
C23.N21.F5.P1.Br1.		33.0	774.9487	-0.7 mmu 
C25.H12.N7.O10.F5.P1.Br1.		22.0	774.9487	-0.7 mmu 
C24.H16.N3.O14.F5.P1.Br1.		17.0	774.9473	+0.7 mmu 
C34.H9.N5.O4.F6.P1.Br1.		31.0	774.9480	+0.0 mmu 
C19.H5.N17.O5.F6.P1.Br1.		24.0	774.9485	-0.5 mmu 
C21.H17.N3.O15.F6.P1.Br1.		13.0	774.9485	-0.5 mmu 
C30.H14.N1.O9.F7.P1.Br1.		22.0	774.9478	+0.2 mmu 
C15.H10.N13.O10.F7.P1.Br1.		15.0	774.9483	-0.3 mmu 
C24.H7.N11.O4.F8.P1.Br1.		24.0	774.9476	+0.4 mmu 
C21.H8.N11.O5.F9.P1.Br1.		20.0	774.9487	-0.7 mmu 
C20.H12.N7.O9.F9.P1.Br1.		15.0	774.9474	+0.6 mmu 
C17.H13.N7.O10.F10.P1.Br1.		11.0	774.9485	-0.5 mmu 
C26.H10.N5.O4.F11.P1.Br1.		20.0	774.9478	+0.2 mmu 
C11.H6.N17.O5.F11.P1.Br1.		13.0	774.9483	-0.3 mmu 
C13.H18.N3.O15.F11.P1.Br1.		2.0	774.9483	-0.3 mmu 
C22.H15.N1.O9.F12.P1.Br1.		11.0	774.9476	+0.4 mmu 
C43.H12.N3.O4.P2.Br1.		42.0	774.9486	-0.6 mmu 
C27.H12.N11.O9.P2.Br1.		30.0	774.9478	+0.2 mmu 
C12.H8.N23.O10.P2.Br1.		23.0	774.9483	-0.3 mmu 
C21.H5.N21.O4.F1.P2.Br1.		32.0	774.9476	+0.4 mmu 
C23.H17.N7.O14.F1.P2.Br1.		21.0	774.9476	+0.4 mmu 
C33.H10.N9.O4.F2.P2.Br1.		35.0	774.9482	-0.2 mmu 
C18.H6.N21.O5.F2.P2.Br1.		28.0	774.9487	-0.7 mmu 
C17.H10.N17.O9.F2.P2.Br1.		23.0	774.9474	+0.6 mmu 
C20.H18.N7.O15.F2.P2.Br1.		17.0	774.9488	-0.8 mmu 
C19.H22.N3.O19.F2.P2.Br1.		12.0	774.9474	+0.6 mmu 
C29.H15.N5.O9.F3.P2.Br1.		26.0	774.9480	-0.0 mmu 
C14.H11.N17.O10.F3.P2.Br1.		19.0	774.9485	-0.5 mmu 
C38.H12.N3.O3.F4.P2.Br1.		35.0	774.9473	+0.7 mmu 
C23.H8.N15.O4.F4.P2.Br1.		28.0	774.9478	+0.2 mmu 
C25.H20.N1.O14.F4.P2.Br1.		17.0	774.9479	+0.1 mmu 
C35.H13.N3.O4.F5.P2.Br1.		31.0	774.9485	-0.5 mmu 
C19.H13.N11.O9.F5.P2.Br1.		19.0	774.9476	+0.4 mmu 
C13.H6.N21.O4.F6.P2.Br1.		21.0	774.9474	+0.6 mmu 
C15.H18.N7.O14.F6.P2.Br1.		10.0	774.9475	+0.5 mmu 
C25.H11.N9.O4.F7.P2.Br1.		24.0	774.9481	-0.1 mmu 
C9.H11.N17.O9.F7.P2.Br1.		12.0	774.9472	+0.8 mmu 
C21.H16.N5.O9.F8.P2.Br1.		15.0	774.9479	+0.1 mmu 
C15.H9.N15.O4.F9.P2.Br1.		17.0	774.9477	+0.3 mmu 
C17.H21.N1.O14.F9.P2.Br1.		6.0	774.9477	+0.3 mmu 
C27.H14.N3.O4.F10.P2.Br1.		20.0	774.9483	-0.3 mmu 
C11.H14.N11.O9.F10.P2.Br1.		8.0	774.9475	+0.5 mmu 
C17.H12.N9.O4.F12.P2.Br1.		13.0	774.9479	+0.1 mmu 
C37.H13.N7.O3.P3.Br1.		39.0	774.9476	+0.4 mmu 
C22.H9.N19.O4.P3.Br1.		32.0	774.9481	-0.1 mmu 
C24.H21.N5.O14.P3.Br1.		21.0	774.9481	-0.1 mmu 
C34.H14.N7.O4.F1.P3.Br1.		35.0	774.9488	-0.8 mmu 
C33.H18.N3.O8.F1.P3.Br1.		30.0	774.9474	+0.6 mmu 
C18.H14.N15.O9.F1.P3.Br1.		23.0	774.9479	+0.1 mmu 
C20.H26.N1.O19.F1.P3.Br1.		12.0	774.9479	+0.1 mmu 
C30.H19.N3.O9.F2.P3.Br1.		26.0	774.9486	-0.6 mmu 
C14.H19.N11.O14.F2.P3.Br1.		14.0	774.9477	+0.3 mmu 
C39.H16.N1.O3.F3.P3.Br1.		35.0	774.9479	+0.1 mmu 
C24.H12.N13.O4.F3.P3.Br1.		28.0	774.9484	-0.4 mmu 
C20.H17.N9.O9.F4.P3.Br1.		19.0	774.9482	-0.2 mmu 
C29.H14.N7.O3.F5.P3.Br1.		28.0	774.9475	+0.5 mmu 
C14.H10.N19.O4.F5.P3.Br1.		21.0	774.9480	+0.0 mmu 
C16.H22.N5.O14.F5.P3.Br1.		10.0	774.9480	+0.0 mmu 
C26.H15.N7.O4.F6.P3.Br1.		24.0	774.9486	-0.6 mmu 
C25.H19.N3.O8.F6.P3.Br1.		19.0	774.9473	+0.7 mmu 
C10.H15.N15.O9.F6.P3.Br1.		12.0	774.9478	+0.2 mmu 
C22.H20.N3.O9.F7.P3.Br1.		15.0	774.9484	-0.4 mmu 
C31.H17.N1.O3.F8.P3.Br1.		24.0	774.9477	+0.3 mmu 
C16.H13.N13.O4.F8.P3.Br1.		17.0	774.9482	-0.2 mmu 
C12.H18.N9.O9.F9.P3.Br1.		8.0	774.9480	+0.0 mmu 
C21.H15.N7.O3.F10.P3.Br1.		17.0	774.9473	+0.7 mmu 
C18.H16.N7.O4.F11.P3.Br1.		13.0	774.9484	-0.4 mmu 
C14.H21.N3.O9.F12.P3.Br1.		4.0	774.9482	-0.2 mmu 
C34.H22.N1.O8.P4.Br1.		30.0	774.9479	+0.1 mmu 
C19.H18.N13.O9.P4.Br1.		23.0	774.9484	-0.4 mmu 
C28.H15.N11.O3.F1.P4.Br1.		32.0	774.9477	+0.3 mmu 
C13.H11.N23.O4.F1.P4.Br1.		25.0	774.9482	-0.2 mmu 
C15.H23.N9.O14.F1.P4.Br1.		14.0	774.9482	-0.2 mmu 
C24.H20.N7.O8.F2.P4.Br1.		23.0	774.9475	+0.5 mmu 
C18.H13.N17.O3.F3.P4.Br1.		25.0	774.9473	+0.7 mmu 
C21.H21.N7.O9.F3.P4.Br1.		19.0	774.9487	-0.7 mmu 
C20.H25.N3.O13.F3.P4.Br1.		14.0	774.9473	+0.7 mmu 
C30.H18.N5.O3.F4.P4.Br1.		28.0	774.9480	+0.0 mmu 
C15.H14.N17.O4.F4.P4.Br1.		21.0	774.9485	-0.5 mmu 
C17.H26.N3.O14.F4.P4.Br1.		10.0	774.9485	-0.5 mmu 
C26.H23.N1.O8.F5.P4.Br1.		19.0	774.9478	+0.2 mmu 
C20.H16.N11.O3.F6.P4.Br1.		21.0	774.9476	+0.4 mmu 
C17.H17.N11.O4.F7.P4.Br1.		17.0	774.9487	-0.7 mmu 
C16.H21.N7.O8.F7.P4.Br1.		12.0	774.9474	+0.6 mmu 
C13.H22.N7.O9.F8.P4.Br1.		8.0	774.9485	-0.5 mmu 
C22.H19.N5.O3.F9.P4.Br1.		17.0	774.9478	+0.2 mmu 
C18.H24.N1.O8.F10.P4.Br1.		8.0	774.9476	+0.4 mmu 
C15.H25.N1.O9.F11.P4.Br1.		4.0	774.9488	-0.8 mmu 
C29.H19.N9.O3.P5.Br1.		32.0	774.9482	-0.2 mmu 
C16.H27.N7.O14.P5.Br1.		14.0	774.9487	-0.7 mmu 
C25.H24.N5.O8.F1.P5.Br1.		23.0	774.9480	-0.0 mmu 
C34.H21.N3.O2.F2.P5.Br1.		32.0	774.9473	+0.7 mmu 
C19.H17.N15.O3.F2.P5.Br1.		25.0	774.9478	+0.2 mmu 
C21.H29.N1.O13.F2.P5.Br1.		14.0	774.9478	+0.2 mmu 
C31.H22.N3.O3.F3.P5.Br1.		28.0	774.9485	-0.5 mmu 
C21.H20.N9.O3.F5.P5.Br1.		21.0	774.9481	-0.1 mmu 
C17.H25.N5.O8.F6.P5.Br1.		12.0	774.9479	+0.1 mmu 
C23.H23.N3.O3.F8.P5.Br1.		17.0	774.9483	-0.3 mmu 
C26.H28.N3.O8.P6.Br1.		23.0	774.9485	-0.5 mmu 
C35.H25.N1.O2.F1.P6.Br1.		32.0	774.9478	+0.2 mmu 
C20.H21.N13.O3.F1.P6.Br1.		25.0	774.9483	-0.3 mmu 
C25.H23.N7.O2.F3.P6.Br1.		25.0	774.9474	+0.6 mmu 
C22.H24.N7.O3.F4.P6.Br1.		21.0	774.9486	-0.6 mmu 
C21.H28.N3.O7.F4.P6.Br1.		16.0	774.9472	+0.8 mmu 
C27.H26.N1.O2.F6.P6.Br1.		21.0	774.9477	+0.3 mmu 
C19.H27.N1.O2.F11.P6.Br1.		10.0	774.9475	+0.5 mmu 
C26.H27.N5.O2.F2.P7.Br1.		25.0	774.9479	+0.1 mmu 
C22.H32.N1.O7.F3.P7.Br1.		16.0	774.9478	+0.2 mmu 
C30.H30.N3.O1.P8.Br1.		29.0	774.9473	+0.7 mmu 
C27.H31.N3.O2.F1.P8.Br1.		25.0	774.9485	-0.5 mmu 
C43.H10.N3.O6.S1.Br1.		42.0	774.9474	+0.6 mmu 
C28.H6.N15.O7.S1.Br1.		35.0	774.9479	+0.1 mmu 
C30.H18.N1.O17.S1.Br1.		24.0	774.9479	+0.1 mmu 
C15.H14.N13.O18.S1.Br1.		17.0	774.9484	-0.4 mmu 
C40.H11.N3.O7.F1.S1.Br1.		38.0	774.9485	-0.5 mmu 
C24.H11.N11.O12.F1.S1.Br1.		26.0	774.9477	+0.3 mmu 
C18.H4.N21.O7.F2.S1.Br1.		28.0	774.9475	+0.5 mmu 
C20.H16.N7.O17.F2.S1.Br1.		17.0	774.9475	+0.5 mmu 
C30.H9.N9.O7.F3.S1.Br1.		31.0	774.9481	-0.1 mmu 
C15.H5.N21.O8.F3.S1.Br1.		24.0	774.9486	-0.6 mmu 
C14.H9.N17.O12.F3.S1.Br1.		19.0	774.9473	+0.7 mmu 
C17.H17.N7.O18.F3.S1.Br1.		13.0	774.9486	-0.6 mmu 
C26.H14.N5.O12.F4.S1.Br1.		22.0	774.9479	+0.1 mmu 
C11.H10.N17.O13.F4.S1.Br1.		15.0	774.9484	-0.4 mmu 
C20.H7.N15.O7.F5.S1.Br1.		24.0	774.9477	+0.3 mmu 
C22.H19.N1.O17.F5.S1.Br1.		13.0	774.9477	+0.3 mmu 
C14.N25.O2.F6.S1.Br1.		26.0	774.9475	+0.5 mmu 
C32.H12.N3.O7.F6.S1.Br1.		27.0	774.9484	-0.4 mmu 
C16.H12.N11.O12.F6.S1.Br1.		15.0	774.9475	+0.5 mmu 
C41.H9.N1.O1.F7.S1.Br1.		36.0	774.9476	+0.4 mmu 
C13.H13.N11.O13.F7.S1.Br1.		11.0	774.9487	-0.7 mmu 
C22.H10.N9.O7.F8.S1.Br1.		20.0	774.9480	+0.0 mmu 
C31.H7.N7.O1.F9.S1.Br1.		29.0	774.9472	+0.8 mmu 
C18.H15.N5.O12.F9.S1.Br1.		11.0	774.9478	+0.2 mmu 
C28.H8.N7.O2.F10.S1.Br1.		25.0	774.9484	-0.4 mmu 
C12.H8.N15.O7.F10.S1.Br1.		13.0	774.9476	+0.4 mmu 
C24.H13.N3.O7.F11.S1.Br1.		16.0	774.9482	-0.2 mmu 
C9.H9.N15.O8.F11.S1.Br1.		9.0	774.9487	-0.7 mmu 
C33.H10.N1.O1.F12.S1.Br1.		25.0	774.9475	+0.5 mmu 
C18.H6.N13.O2.F12.S1.Br1.		18.0	774.9480	+0.0 mmu 
C25.H15.N9.O12.P1.S1.Br1.		26.0	774.9482	-0.2 mmu 
C34.H12.N7.O6.F1.P1.S1.Br1.		35.0	774.9475	+0.5 mmu 
C19.H8.N19.O7.F1.P1.S1.Br1.		28.0	774.9480	+0.0 mmu 
C21.H20.N5.O17.F1.P1.S1.Br1.		17.0	774.9480	+0.0 mmu 
C31.H13.N7.O7.F2.P1.S1.Br1.		31.0	774.9486	-0.6 mmu 
C30.H17.N3.O11.F2.P1.S1.Br1.		26.0	774.9473	+0.7 mmu 
C15.H13.N15.O12.F2.P1.S1.Br1.		19.0	774.9478	+0.2 mmu 
C40.H10.N5.O1.F3.P1.S1.Br1.		40.0	774.9479	+0.1 mmu 
C25.H6.N17.O2.F3.P1.S1.Br1.		33.0	774.9484	-0.4 mmu 
C27.H18.N3.O12.F3.P1.S1.Br1.		22.0	774.9484	-0.4 mmu 
C36.H15.N1.O6.F4.P1.S1.Br1.		31.0	774.9477	+0.3 mmu 
C21.H11.N13.O7.F4.P1.S1.Br1.		24.0	774.9482	-0.2 mmu 
C30.H8.N11.O1.F5.P1.S1.Br1.		33.0	774.9475	+0.5 mmu 
C15.H4.N23.O2.F5.P1.S1.Br1.		26.0	774.9480	-0.0 mmu 
C17.H16.N9.O12.F5.P1.S1.Br1.		15.0	774.9480	-0.0 mmu 
C27.H9.N11.O2.F6.P1.S1.Br1.		29.0	774.9487	-0.7 mmu 
C26.H13.N7.O6.F6.P1.S1.Br1.		24.0	774.9473	+0.7 mmu 
C11.H9.N19.O7.F6.P1.S1.Br1.		17.0	774.9478	+0.2 mmu 
C23.H14.N7.O7.F7.P1.S1.Br1.		20.0	774.9485	-0.5 mmu 
C32.H11.N5.O1.F8.P1.S1.Br1.		29.0	774.9478	+0.2 mmu 
C17.H7.N17.O2.F8.P1.S1.Br1.		22.0	774.9483	-0.3 mmu 
C19.H19.N3.O12.F8.P1.S1.Br1.		11.0	774.9483	-0.3 mmu 
C28.H16.N1.O6.F9.P1.S1.Br1.		20.0	774.9476	+0.4 mmu 
C13.H12.N13.O7.F9.P1.S1.Br1.		13.0	774.9481	-0.1 mmu 
C22.H9.N11.O1.F10.P1.S1.Br1.		22.0	774.9474	+0.6 mmu 
C25.H17.N1.O7.F10.P1.S1.Br1.		16.0	774.9487	-0.7 mmu 
C19.H10.N11.O2.F11.P1.S1.Br1.		18.0	774.9485	-0.5 mmu 
C15.H15.N7.O7.F12.P1.S1.Br1.		9.0	774.9483	-0.3 mmu 
C35.H16.N5.O6.P2.S1.Br1.		35.0	774.9480	+0.0 mmu 
C20.H12.N17.O7.P2.S1.Br1.		28.0	774.9485	-0.5 mmu 
C22.H24.N3.O17.P2.S1.Br1.		17.0	774.9485	-0.5 mmu 
C44.H13.N3.F1.P2.S1.Br1.		44.0	774.9473	+0.7 mmu 
C29.H9.N15.O1.F1.P2.S1.Br1.		37.0	774.9478	+0.2 mmu 
C31.H21.N1.O11.F1.P2.S1.Br1.		26.0	774.9478	+0.2 mmu 
C16.H17.N13.O12.F1.P2.S1.Br1.		19.0	774.9483	-0.3 mmu 
C41.H14.N3.O1.F2.P2.S1.Br1.		40.0	774.9484	-0.4 mmu 
C25.H14.N11.O6.F2.P2.S1.Br1.		28.0	774.9476	+0.4 mmu 
C19.H7.N21.O1.F3.P2.S1.Br1.		30.0	774.9474	+0.6 mmu 
C22.H15.N11.O7.F3.P2.S1.Br1.		24.0	774.9487	-0.7 mmu 
C21.H19.N7.O11.F3.P2.S1.Br1.		19.0	774.9474	+0.6 mmu 
C31.H12.N9.O1.F4.P2.S1.Br1.		33.0	774.9480	-0.0 mmu 
C16.H8.N21.O2.F4.P2.S1.Br1.		26.0	774.9485	-0.5 mmu 
C18.H20.N7.O12.F4.P2.S1.Br1.		15.0	774.9485	-0.5 mmu 
C27.H17.N5.O6.F5.P2.S1.Br1.		24.0	774.9478	+0.2 mmu 
C12.H13.N17.O7.F5.P2.S1.Br1.		17.0	774.9483	-0.3 mmu 
C21.H10.N15.O1.F6.P2.S1.Br1.		26.0	774.9476	+0.4 mmu 
C23.H22.N1.O11.F6.P2.S1.Br1.		15.0	774.9476	+0.4 mmu 
C33.H15.N3.O1.F7.P2.S1.Br1.		29.0	774.9483	-0.3 mmu 
C18.H11.N15.O2.F7.P2.S1.Br1.		22.0	774.9488	-0.8 mmu 
C17.H15.N11.O6.F7.P2.S1.Br1.		17.0	774.9474	+0.6 mmu 
C11.H8.N21.O1.F8.P2.S1.Br1.		19.0	774.9472	+0.8 mmu 
C14.H16.N11.O7.F8.P2.S1.Br1.		13.0	774.9486	-0.6 mmu 
C13.H20.N7.O11.F8.P2.S1.Br1.		8.0	774.9472	+0.8 mmu 
C23.H13.N9.O1.F9.P2.S1.Br1.		22.0	774.9479	+0.1 mmu 
C10.H21.N7.O12.F9.P2.S1.Br1.		4.0	774.9484	-0.4 mmu 
C19.H18.N5.O6.F10.P2.S1.Br1.		13.0	774.9477	+0.3 mmu 
C13.H11.N15.O1.F11.P2.S1.Br1.		15.0	774.9475	+0.5 mmu 
C15.H23.N1.O11.F11.P2.S1.Br1.		4.0	774.9475	+0.5 mmu 
C25.H16.N3.O1.F12.P2.S1.Br1.		18.0	774.9481	-0.1 mmu 
C10.H12.N15.O2.F12.P2.S1.Br1.		11.0	774.9486	-0.6 mmu 
C9.H16.N11.O6.F12.P2.S1.Br1.		6.0	774.9473	+0.7 mmu 
C12.H24.N1.O12.F12.P2.S1.Br1.		0.0	774.9486	-0.6 mmu 
C45.H17.N1.P3.S1.Br1.		44.0	774.9478	+0.2 mmu 
C30.H13.N13.O1.P3.S1.Br1.		37.0	774.9483	-0.3 mmu 
C14.H13.N21.O6.P3.S1.Br1.		25.0	774.9475	+0.5 mmu 
C16.H25.N7.O16.P3.S1.Br1.		14.0	774.9475	+0.5 mmu 
C26.H18.N9.O6.F1.P3.S1.Br1.		28.0	774.9481	-0.1 mmu 
C11.H14.N21.O7.F1.P3.S1.Br1.		21.0	774.9486	-0.6 mmu 
C10.H18.N17.O11.F1.P3.S1.Br1.		16.0	774.9473	+0.7 mmu 
C35.H15.N7.F2.P3.S1.Br1.		37.0	774.9474	+0.6 mmu 
C20.H11.N19.O1.F2.P3.S1.Br1.		30.0	774.9479	+0.1 mmu 
C22.H23.N5.O11.F2.P3.S1.Br1.		19.0	774.9479	+0.1 mmu 
C32.H16.N7.O1.F3.P3.S1.Br1.		33.0	774.9485	-0.5 mmu 
C16.H16.N15.O6.F3.P3.S1.Br1.		21.0	774.9477	+0.3 mmu 
C18.H28.N1.O16.F3.P3.S1.Br1.		10.0	774.9477	+0.3 mmu 
C28.H21.N3.O6.F4.P3.S1.Br1.		24.0	774.9483	-0.3 mmu 
C12.H21.N11.O11.F4.P3.S1.Br1.		12.0	774.9475	+0.5 mmu 
C37.H18.N1.F5.P3.S1.Br1.		33.0	774.9476	+0.4 mmu 
C22.H14.N13.O1.F5.P3.S1.Br1.		26.0	774.9481	-0.1 mmu 
C18.H19.N9.O6.F6.P3.S1.Br1.		17.0	774.9479	+0.1 mmu 
C27.H16.N7.F7.P3.S1.Br1.		26.0	774.9472	+0.8 mmu 
C12.H12.N19.O1.F7.P3.S1.Br1.		19.0	774.9477	+0.3 mmu 
C14.H24.N5.O11.F7.P3.S1.Br1.		8.0	774.9477	+0.3 mmu 
C24.H17.N7.O1.F8.P3.S1.Br1.		22.0	774.9484	-0.4 mmu 
C20.H22.N3.O6.F9.P3.S1.Br1.		13.0	774.9482	-0.2 mmu 
C29.H19.N1.F10.P3.S1.Br1.		22.0	774.9475	+0.5 mmu 
C14.H15.N13.O1.F10.P3.S1.Br1.		15.0	774.9480	+0.0 mmu 
C26.H20.N1.O1.F11.P3.S1.Br1.		18.0	774.9486	-0.6 mmu 
C10.H20.N9.O6.F11.P3.S1.Br1.		6.0	774.9478	+0.2 mmu 
C24.H14.N17.P4.S1.Br1.		34.0	774.9473	+0.7 mmu 
C27.H22.N7.O6.P4.S1.Br1.		28.0	774.9486	-0.6 mmu 
C26.H26.N3.O10.P4.S1.Br1.		23.0	774.9473	+0.7 mmu 
C36.H19.N5.F1.P4.S1.Br1.		37.0	774.9479	+0.1 mmu 
C21.H15.N17.O1.F1.P4.S1.Br1.		30.0	774.9484	-0.4 mmu 
C23.H27.N3.O11.F1.P4.S1.Br1.		19.0	774.9484	-0.4 mmu 
C32.H24.N1.O5.F2.P4.S1.Br1.		28.0	774.9477	+0.3 mmu 
C17.H20.N13.O6.F2.P4.S1.Br1.		21.0	774.9482	-0.2 mmu 
C26.H17.N11.F3.P4.S1.Br1.		30.0	774.9475	+0.5 mmu 
C13.H25.N9.O11.F3.P4.S1.Br1.		12.0	774.9480	-0.0 mmu 
C23.H18.N11.O1.F4.P4.S1.Br1.		26.0	774.9486	-0.6 mmu 
C22.H22.N7.O5.F4.P4.S1.Br1.		21.0	774.9473	+0.7 mmu 
C19.H23.N7.O6.F5.P4.S1.Br1.		17.0	774.9485	-0.5 mmu 
C28.H20.N5.F6.P4.S1.Br1.		26.0	774.9477	+0.3 mmu 
C13.H16.N17.O1.F6.P4.S1.Br1.		19.0	774.9482	-0.2 mmu 
C15.H28.N3.O11.F6.P4.S1.Br1.		8.0	774.9483	-0.3 mmu 
C24.H25.N1.O5.F7.P4.S1.Br1.		17.0	774.9475	+0.5 mmu 
C18.H18.N11.F8.P4.S1.Br1.		19.0	774.9473	+0.7 mmu 
C21.H26.N1.O6.F8.P4.S1.Br1.		13.0	774.9487	-0.7 mmu 
C15.H19.N11.O1.F9.P4.S1.Br1.		15.0	774.9485	-0.5 mmu 
C20.H21.N5.F11.P4.S1.Br1.		15.0	774.9476	+0.4 mmu 
C17.H22.N5.O1.F12.P4.S1.Br1.		11.0	774.9487	-0.7 mmu 
C16.H26.N1.O5.F12.P4.S1.Br1.		6.0	774.9474	+0.6 mmu 
C37.H23.N3.P5.S1.Br1.		37.0	774.9484	-0.4 mmu 
C21.H23.N11.O5.P5.S1.Br1.		25.0	774.9476	+0.4 mmu 
C18.H24.N11.O6.F1.P5.S1.Br1.		21.0	774.9487	-0.7 mmu 
C17.H28.N7.O10.F1.P5.S1.Br1.		16.0	774.9474	+0.6 mmu 
C27.H21.N9.F2.P5.S1.Br1.		30.0	774.9480	-0.0 mmu 
C23.H26.N5.O5.F3.P5.S1.Br1.		21.0	774.9478	+0.2 mmu 
C17.H19.N15.F4.P5.S1.Br1.		23.0	774.9476	+0.4 mmu 
C19.H31.N1.O10.F4.P5.S1.Br1.		12.0	774.9476	+0.4 mmu 
C29.H24.N3.F5.P5.S1.Br1.		26.0	774.9483	-0.3 mmu 
C16.H32.N1.O11.F5.P5.S1.Br1.		8.0	774.9488	-0.8 mmu 
C19.H22.N9.F7.P5.S1.Br1.		19.0	774.9479	+0.1 mmu 
C21.H25.N3.F10.P5.S1.Br1.		15.0	774.9481	-0.1 mmu 
C28.H25.N7.F1.P6.S1.Br1.		30.0	774.9485	-0.5 mmu 
C24.H30.N3.O5.F2.P6.S1.Br1.		21.0	774.9483	-0.3 mmu 
C30.H28.N1.F4.P6.S1.Br1.		26.0	774.9488	-0.8 mmu 
C20.H26.N7.F6.P6.S1.Br1.		19.0	774.9484	-0.4 mmu 
C22.H29.N1.F9.P6.S1.Br1.		15.0	774.9486	-0.6 mmu 
C28.H33.N1.O4.P7.S1.Br1.		25.0	774.9477	+0.3 mmu 
C36.H10.N9.O4.S2.Br1.		40.0	774.9481	-0.1 mmu 
C21.H6.N21.O5.S2.Br1.		33.0	774.9486	-0.6 mmu 
C23.H18.N7.O15.S2.Br1.		22.0	774.9486	-0.6 mmu 
C22.H22.N3.O19.S2.Br1.		17.0	774.9472	+0.8 mmu 
C32.H15.N5.O9.F1.S2.Br1.		31.0	774.9479	+0.1 mmu 
C17.H11.N17.O10.F1.S2.Br1.		24.0	774.9484	-0.4 mmu 
C19.H23.N3.O20.F1.S2.Br1.		13.0	774.9484	-0.4 mmu 
C26.H8.N15.O4.F2.S2.Br1.		33.0	774.9477	+0.3 mmu 
C28.H20.N1.O14.F2.S2.Br1.		22.0	774.9477	+0.3 mmu 
C13.H16.N13.O15.F2.S2.Br1.		15.0	774.9482	-0.2 mmu 
C38.H13.N3.O4.F3.S2.Br1.		36.0	774.9483	-0.3 mmu 
C22.H13.N11.O9.F3.S2.Br1.		24.0	774.9475	+0.5 mmu 
C16.H6.N21.O4.F4.S2.Br1.		26.0	774.9473	+0.7 mmu 
C19.H14.N11.O10.F4.S2.Br1.		20.0	774.9486	-0.6 mmu 
C18.H18.N7.O14.F4.S2.Br1.		15.0	774.9473	+0.7 mmu 
C28.H11.N9.O4.F5.S2.Br1.		29.0	774.9479	+0.1 mmu 
C13.H7.N21.O5.F5.S2.Br1.		22.0	774.9484	-0.4 mmu 
C15.H19.N7.O15.F5.S2.Br1.		11.0	774.9484	-0.4 mmu 
C24.H16.N5.O9.F6.S2.Br1.		20.0	774.9477	+0.3 mmu 
C9.H12.N17.O10.F6.S2.Br1.		13.0	774.9482	-0.2 mmu 
C18.H9.N15.O4.F7.S2.Br1.		22.0	774.9475	+0.5 mmu 
C20.H21.N1.O14.F7.S2.Br1.		11.0	774.9475	+0.5 mmu 
C30.H14.N3.O4.F8.S2.Br1.		25.0	774.9481	-0.1 mmu 
C15.H10.N15.O5.F8.S2.Br1.		18.0	774.9486	-0.6 mmu 
C14.H14.N11.O9.F8.S2.Br1.		13.0	774.9473	+0.7 mmu 
C17.H22.N1.O15.F8.S2.Br1.		7.0	774.9486	-0.6 mmu 
C11.H15.N11.O10.F9.S2.Br1.		9.0	774.9484	-0.4 mmu 
C20.H12.N9.O4.F10.S2.Br1.		18.0	774.9477	+0.3 mmu 
C16.H17.N5.O9.F11.S2.Br1.		9.0	774.9475	+0.5 mmu 
C11.H6.N19.F12.S2.Br1.		16.0	774.9487	-0.7 mmu 
C10.H10.N15.O4.F12.S2.Br1.		11.0	774.9473	+0.7 mmu 
C13.H18.N5.O10.F12.S2.Br1.		5.0	774.9487	-0.7 mmu 
C12.H22.N1.O14.F12.S2.Br1.		0.0	774.9473	+0.7 mmu 
C15.H7.N25.O4.P1.S2.Br1.		30.0	774.9475	+0.5 mmu 
C33.H19.N3.O9.P1.S2.Br1.		31.0	774.9484	-0.4 mmu 
C17.H19.N11.O14.P1.S2.Br1.		19.0	774.9475	+0.5 mmu 
C42.H16.N1.O3.F1.P1.S2.Br1.		40.0	774.9477	+0.3 mmu 
C27.H12.N13.O4.F1.P1.S2.Br1.		33.0	774.9482	-0.2 mmu 
C11.H12.N21.O9.F1.P1.S2.Br1.		21.0	774.9473	+0.7 mmu 
C14.H20.N11.O15.F1.P1.S2.Br1.		15.0	774.9487	-0.7 mmu 
C23.H17.N9.O9.F2.P1.S2.Br1.		24.0	774.9480	+0.0 mmu 
C32.H14.N7.O3.F3.P1.S2.Br1.		33.0	774.9473	+0.7 mmu 
C17.H10.N19.O4.F3.P1.S2.Br1.		26.0	774.9478	+0.2 mmu 
C19.H22.N5.O14.F3.P1.S2.Br1.		15.0	774.9478	+0.2 mmu 
C29.H15.N7.O4.F4.P1.S2.Br1.		29.0	774.9484	-0.4 mmu 
C13.H15.N15.O9.F4.P1.S2.Br1.		17.0	774.9476	+0.4 mmu 
C25.H20.N3.O9.F5.P1.S2.Br1.		20.0	774.9482	-0.2 mmu 
C10.H16.N15.O10.F5.P1.S2.Br1.		13.0	774.9487	-0.7 mmu 
C34.H17.N1.O3.F6.P1.S2.Br1.		29.0	774.9475	+0.5 mmu 
C19.H13.N13.O4.F6.P1.S2.Br1.		22.0	774.9480	-0.0 mmu 
C31.H18.N1.O4.F7.P1.S2.Br1.		25.0	774.9486	-0.6 mmu 
C15.H18.N9.O9.F7.P1.S2.Br1.		13.0	774.9478	+0.2 mmu 
C21.H16.N7.O4.F9.P1.S2.Br1.		18.0	774.9482	-0.2 mmu 
C17.H21.N3.O9.F10.P1.S2.Br1.		9.0	774.9481	-0.1 mmu 
C26.H18.N1.O3.F11.P1.S2.Br1.		18.0	774.9473	+0.7 mmu 
C11.H14.N13.O4.F11.P1.S2.Br1.		11.0	774.9478	+0.2 mmu 
C23.H19.N1.O4.F12.P1.S2.Br1.		14.0	774.9485	-0.5 mmu 
C28.H16.N11.O4.P2.S2.Br1.		33.0	774.9487	-0.7 mmu 
C27.H20.N7.O8.P2.S2.Br1.		28.0	774.9473	+0.7 mmu 
C12.H16.N19.O9.P2.S2.Br1.		21.0	774.9478	+0.2 mmu 
C24.H21.N7.O9.F1.P2.S2.Br1.		24.0	774.9485	-0.5 mmu 
C33.H18.N5.O3.F2.P2.S2.Br1.		33.0	774.9478	+0.2 mmu 
C18.H14.N17.O4.F2.P2.S2.Br1.		26.0	774.9483	-0.3 mmu 
C20.H26.N3.O14.F2.P2.S2.Br1.		15.0	774.9483	-0.3 mmu 
C29.H23.N1.O8.F3.P2.S2.Br1.		24.0	774.9476	+0.4 mmu 
C14.H19.N13.O9.F3.P2.S2.Br1.		17.0	774.9481	-0.1 mmu 
C23.H16.N11.O3.F4.P2.S2.Br1.		26.0	774.9474	+0.6 mmu 
C26.H24.N1.O9.F4.P2.S2.Br1.		20.0	774.9487	-0.7 mmu 
C20.H17.N11.O4.F5.P2.S2.Br1.		22.0	774.9485	-0.5 mmu 
C16.H22.N7.O9.F6.P2.S2.Br1.		13.0	774.9483	-0.3 mmu 
C25.H19.N5.O3.F7.P2.S2.Br1.		22.0	774.9476	+0.4 mmu 
C10.H15.N17.O4.F7.P2.S2.Br1.		15.0	774.9481	-0.1 mmu 
C12.H27.N3.O14.F7.P2.S2.Br1.		4.0	774.9481	-0.1 mmu 
C22.H20.N5.O4.F8.P2.S2.Br1.		18.0	774.9488	-0.8 mmu 
C21.H24.N1.O8.F8.P2.S2.Br1.		13.0	774.9474	+0.6 mmu 
C18.H25.N1.O9.F9.P2.S2.Br1.		9.0	774.9486	-0.6 mmu 
C12.H18.N11.O4.F10.P2.S2.Br1.		11.0	774.9484	-0.4 mmu 
C8.H23.N7.O9.F11.P2.S2.Br1.		2.0	774.9482	-0.2 mmu 
C17.H20.N5.O3.F12.P2.S2.Br1.		11.0	774.9475	+0.5 mmu 
C22.H17.N15.O3.P3.S2.Br1.		30.0	774.9476	+0.4 mmu 
C24.H29.N1.O13.P3.S2.Br1.		19.0	774.9477	+0.3 mmu 
C34.H22.N3.O3.F1.P3.S2.Br1.		33.0	774.9483	-0.3 mmu 
C18.H22.N11.O8.F1.P3.S2.Br1.		21.0	774.9474	+0.6 mmu 
C12.H15.N21.O3.F2.P3.S2.Br1.		23.0	774.9472	+0.8 mmu 
C15.H23.N11.O9.F2.P3.S2.Br1.		17.0	774.9486	-0.6 mmu 
C14.H27.N7.O13.F2.P3.S2.Br1.		12.0	774.9473	+0.7 mmu 
C24.H20.N9.O3.F3.P3.S2.Br1.		26.0	774.9479	+0.1 mmu 
C20.H25.N5.O8.F4.P3.S2.Br1.		17.0	774.9477	+0.3 mmu 
C14.H18.N15.O3.F5.P3.S2.Br1.		19.0	774.9475	+0.5 mmu 
C16.H30.N1.O13.F5.P3.S2.Br1.		8.0	774.9475	+0.5 mmu 
C26.H23.N3.O3.F6.P3.S2.Br1.		22.0	774.9481	-0.1 mmu 
C11.H19.N15.O4.F6.P3.S2.Br1.		15.0	774.9486	-0.6 mmu 
C10.H23.N11.O8.F6.P3.S2.Br1.		10.0	774.9473	+0.7 mmu 
C13.H31.N1.O14.F6.P3.S2.Br1.		4.0	774.9486	-0.6 mmu 
C16.H21.N9.O3.F8.P3.S2.Br1.		15.0	774.9477	+0.3 mmu 
C12.H26.N5.O8.F9.P3.S2.Br1.		6.0	774.9475	+0.5 mmu 
C18.H24.N3.O3.F11.P3.S2.Br1.		11.0	774.9480	+0.0 mmu 
C19.H26.N9.O8.P4.S2.Br1.		21.0	774.9480	+0.0 mmu 
C28.H23.N7.O2.F1.P4.S2.Br1.		30.0	774.9473	+0.7 mmu 
C13.H19.N19.O3.F1.P4.S2.Br1.		23.0	774.9478	+0.2 mmu 
C15.H31.N5.O13.F1.P4.S2.Br1.		12.0	774.9478	+0.2 mmu 
C25.H24.N7.O3.F2.P4.S2.Br1.		26.0	774.9484	-0.4 mmu 
C21.H29.N3.O8.F3.P4.S2.Br1.		17.0	774.9482	-0.2 mmu 
C30.H26.N1.O2.F4.P4.S2.Br1.		26.0	774.9475	+0.5 mmu 
C15.H22.N13.O3.F4.P4.S2.Br1.		19.0	774.9480	+0.0 mmu 
C27.H27.N1.O3.F5.P4.S2.Br1.		22.0	774.9486	-0.6 mmu 
C17.H25.N7.O3.F7.P4.S2.Br1.		15.0	774.9482	-0.2 mmu 
C13.H30.N3.O8.F8.P4.S2.Br1.		6.0	774.9480	-0.0 mmu 
C22.H27.N1.O2.F9.P4.S2.Br1.		15.0	774.9473	+0.7 mmu 
C19.H28.N1.O3.F10.P4.S2.Br1.		11.0	774.9485	-0.5 mmu 
C29.H27.N5.O2.P5.S2.Br1.		30.0	774.9478	+0.2 mmu 
C16.H35.N3.O13.P5.S2.Br1.		12.0	774.9483	-0.3 mmu 
C25.H32.N1.O7.F1.P5.S2.Br1.		21.0	774.9476	+0.4 mmu 
C19.H25.N11.O2.F2.P5.S2.Br1.		23.0	774.9474	+0.6 mmu 
C22.H33.N1.O8.F2.P5.S2.Br1.		17.0	774.9487	-0.7 mmu 
C16.H26.N11.O3.F3.P5.S2.Br1.		19.0	774.9485	-0.5 mmu 
C21.H28.N5.O2.F5.P5.S2.Br1.		19.0	774.9476	+0.4 mmu 
C18.H29.N5.O3.F6.P5.S2.Br1.		15.0	774.9487	-0.7 mmu 
C17.H33.N1.O7.F6.P5.S2.Br1.		10.0	774.9474	+0.6 mmu 
C20.H29.N9.O2.F1.P6.S2.Br1.		23.0	774.9479	+0.1 mmu 
C22.H32.N3.O2.F4.P6.S2.Br1.		19.0	774.9481	-0.1 mmu 
C26.H35.N1.O1.F2.P7.S2.Br1.		23.0	774.9475	+0.5 mmu 
C23.H36.N1.O2.F3.P7.S2.Br1.		19.0	774.9486	-0.6 mmu 
C44.H14.N3.O1.S3.Br1.		45.0	774.9482	-0.2 mmu 
C29.H10.N15.O2.S3.Br1.		38.0	774.9487	-0.7 mmu 
C28.H14.N11.O6.S3.Br1.		33.0	774.9474	+0.6 mmu 
C13.H10.N23.O7.S3.Br1.		26.0	774.9479	+0.1 mmu 
C31.H22.N1.O12.S3.Br1.		27.0	774.9487	-0.7 mmu 
C15.H22.N9.O17.S3.Br1.		15.0	774.9479	+0.1 mmu 
C25.H15.N11.O7.F1.S3.Br1.		29.0	774.9485	-0.5 mmu 
C34.H12.N9.O1.F2.S3.Br1.		38.0	774.9478	+0.2 mmu 
C19.H8.N21.O2.F2.S3.Br1.		31.0	774.9483	-0.3 mmu 
C21.H20.N7.O12.F2.S3.Br1.		20.0	774.9484	-0.4 mmu 
C30.H17.N5.O6.F3.S3.Br1.		29.0	774.9476	+0.4 mmu 
C15.H13.N17.O7.F3.S3.Br1.		22.0	774.9481	-0.1 mmu 
C17.H25.N3.O17.F3.S3.Br1.		11.0	774.9482	-0.2 mmu 
C24.H10.N15.O1.F4.S3.Br1.		31.0	774.9474	+0.6 mmu 
C26.H22.N1.O11.F4.S3.Br1.		20.0	774.9474	+0.6 mmu 
C11.H18.N13.O12.F4.S3.Br1.		13.0	774.9480	+0.0 mmu 
C36.H15.N3.O1.F5.S3.Br1.		34.0	774.9481	-0.1 mmu 
C21.H11.N15.O2.F5.S3.Br1.		27.0	774.9486	-0.6 mmu 
C20.H15.N11.O6.F5.S3.Br1.		22.0	774.9472	+0.8 mmu 
C23.H23.N1.O12.F5.S3.Br1.		16.0	774.9486	-0.6 mmu 
C17.H16.N11.O7.F6.S3.Br1.		18.0	774.9484	-0.4 mmu 
C26.H13.N9.O1.F7.S3.Br1.		27.0	774.9477	+0.3 mmu 
C11.H9.N21.O2.F7.S3.Br1.		20.0	774.9482	-0.2 mmu 
C13.H21.N7.O12.F7.S3.Br1.		9.0	774.9482	-0.2 mmu 
C22.H18.N5.O6.F8.S3.Br1.		18.0	774.9475	+0.5 mmu 
C16.H11.N15.O1.F9.S3.Br1.		20.0	774.9473	+0.7 mmu 
C19.H19.N5.O7.F9.S3.Br1.		14.0	774.9486	-0.6 mmu 
C18.H23.N1.O11.F9.S3.Br1.		9.0	774.9473	+0.7 mmu 
C28.H16.N3.O1.F10.S3.Br1.		23.0	774.9479	+0.1 mmu 
C13.H12.N15.O2.F10.S3.Br1.		16.0	774.9484	-0.4 mmu 
C15.H24.N1.O12.F10.S3.Br1.		5.0	774.9484	-0.4 mmu 
C9.H17.N11.O7.F11.S3.Br1.		7.0	774.9482	-0.2 mmu 
C18.H14.N9.O1.F12.S3.Br1.		16.0	774.9475	+0.5 mmu 
C23.H11.N19.O1.P1.S3.Br1.		35.0	774.9477	+0.3 mmu 
C25.H23.N5.O11.P1.S3.Br1.		24.0	774.9477	+0.3 mmu 
C10.H19.N17.O12.P1.S3.Br1.		17.0	774.9482	-0.2 mmu 
C35.H16.N7.O1.F1.P1.S3.Br1.		38.0	774.9483	-0.3 mmu 
C19.H16.N15.O6.F1.P1.S3.Br1.		26.0	774.9475	+0.5 mmu 
C21.H28.N1.O16.F1.P1.S3.Br1.		15.0	774.9475	+0.5 mmu 
C13.H9.N25.O1.F2.P1.S3.Br1.		28.0	774.9473	+0.7 mmu 
C31.H21.N3.O6.F2.P1.S3.Br1.		29.0	774.9482	-0.2 mmu 
C16.H17.N15.O7.F2.P1.S3.Br1.		22.0	774.9487	-0.7 mmu 
C15.H21.N11.O11.F2.P1.S3.Br1.		17.0	774.9473	+0.7 mmu 
C18.H29.N1.O17.F2.P1.S3.Br1.		11.0	774.9487	-0.7 mmu 
C40.H18.N1.F3.P1.S3.Br1.		38.0	774.9474	+0.6 mmu 
C25.H14.N13.O1.F3.P1.S3.Br1.		31.0	774.9479	+0.1 mmu 
C12.H22.N11.O12.F3.P1.S3.Br1.		13.0	774.9485	-0.5 mmu 
C37.H19.N1.O1.F4.P1.S3.Br1.		34.0	774.9486	-0.6 mmu 
C21.H19.N9.O6.F4.P1.S3.Br1.		22.0	774.9478	+0.2 mmu 
C15.H12.N19.O1.F5.P1.S3.Br1.		24.0	774.9475	+0.5 mmu 
C17.H24.N5.O11.F5.P1.S3.Br1.		13.0	774.9476	+0.4 mmu 
C27.H17.N7.O1.F6.P1.S3.Br1.		27.0	774.9482	-0.2 mmu 
C12.H13.N19.O2.F6.P1.S3.Br1.		20.0	774.9487	-0.7 mmu 
C11.H17.N15.O6.F6.P1.S3.Br1.		15.0	774.9474	+0.6 mmu 
C14.H25.N5.O12.F6.P1.S3.Br1.		9.0	774.9487	-0.7 mmu 
C23.H22.N3.O6.F7.P1.S3.Br1.		18.0	774.9480	+0.0 mmu 
C8.H18.N15.O7.F7.P1.S3.Br1.		11.0	774.9485	-0.5 mmu 
C32.H19.N1.F8.P1.S3.Br1.		27.0	774.9473	+0.7 mmu 
C17.H15.N13.O1.F8.P1.S3.Br1.		20.0	774.9478	+0.2 mmu 
C29.H20.N1.O1.F9.P1.S3.Br1.		23.0	774.9484	-0.4 mmu 
C13.H20.N9.O6.F9.P1.S3.Br1.		11.0	774.9476	+0.4 mmu 
C10.H21.N9.O7.F10.P1.S3.Br1.		7.0	774.9487	-0.7 mmu 
C19.H18.N7.O1.F11.P1.S3.Br1.		16.0	774.9480	-0.0 mmu 
C15.H23.N3.O6.F12.P1.S3.Br1.		7.0	774.9478	+0.2 mmu 
C35.H24.N1.O5.P2.S3.Br1.		33.0	774.9475	+0.5 mmu 
C20.H20.N13.O6.P2.S3.Br1.		26.0	774.9480	-0.0 mmu 
C29.H17.N11.F1.P2.S3.Br1.		35.0	774.9473	+0.7 mmu 
C14.H13.N23.O1.F1.P2.S3.Br1.		28.0	774.9478	+0.2 mmu 
C32.H25.N1.O6.F1.P2.S3.Br1.		29.0	774.9487	-0.7 mmu 
C16.H25.N9.O11.F1.P2.S3.Br1.		17.0	774.9478	+0.2 mmu 
C26.H18.N11.O1.F2.P2.S3.Br1.		31.0	774.9485	-0.5 mmu 
C10.H18.N19.O6.F2.P2.S3.Br1.		19.0	774.9476	+0.4 mmu 
C22.H23.N7.O6.F3.P2.S3.Br1.		22.0	774.9483	-0.3 mmu 
C31.H20.N5.F4.P2.S3.Br1.		31.0	774.9476	+0.4 mmu 
C16.H16.N17.O1.F4.P2.S3.Br1.		24.0	774.9481	-0.1 mmu 
C18.H28.N3.O11.F4.P2.S3.Br1.		13.0	774.9481	-0.1 mmu 
C28.H21.N5.O1.F5.P2.S3.Br1.		27.0	774.9487	-0.7 mmu 
C27.H25.N1.O5.F5.P2.S3.Br1.		22.0	774.9474	+0.6 mmu 
C12.H21.N13.O6.F5.P2.S3.Br1.		15.0	774.9479	+0.1 mmu 
C24.H26.N1.O6.F6.P2.S3.Br1.		18.0	774.9485	-0.5 mmu 
C18.H19.N11.O1.F7.P2.S3.Br1.		20.0	774.9483	-0.3 mmu 
C14.H24.N7.O6.F8.P2.S3.Br1.		11.0	774.9481	-0.1 mmu 
C23.H21.N5.F9.P2.S3.Br1.		20.0	774.9474	+0.6 mmu 
C10.H29.N3.O11.F9.P2.S3.Br1.		2.0	774.9479	+0.1 mmu 
C20.H22.N5.O1.F10.P2.S3.Br1.		16.0	774.9485	-0.5 mmu 
C16.H27.N1.O6.F11.P2.S3.Br1.		7.0	774.9483	-0.3 mmu 
C10.H20.N11.O1.F12.P2.S3.Br1.		9.0	774.9481	-0.1 mmu 
C30.H21.N9.P3.S3.Br1.		35.0	774.9478	+0.2 mmu 
C15.H17.N21.O1.P3.S3.Br1.		28.0	774.9483	-0.3 mmu 
C17.H29.N7.O11.P3.S3.Br1.		17.0	774.9483	-0.3 mmu 
C26.H26.N5.O5.F1.P3.S3.Br1.		26.0	774.9476	+0.4 mmu 
C11.H22.N17.O6.F1.P3.S3.Br1.		19.0	774.9481	-0.1 mmu 
C20.H19.N15.F2.P3.S3.Br1.		28.0	774.9474	+0.6 mmu 
C23.H27.N5.O6.F2.P3.S3.Br1.		22.0	774.9488	-0.8 mmu 
C22.H31.N1.O10.F2.P3.S3.Br1.		17.0	774.9474	+0.6 mmu 
C32.H24.N3.F3.P3.S3.Br1.		31.0	774.9481	-0.1 mmu 
C17.H20.N15.O1.F3.P3.S3.Br1.		24.0	774.9486	-0.6 mmu 
C16.H24.N11.O5.F3.P3.S3.Br1.		19.0	774.9472	+0.8 mmu 
C19.H32.N1.O11.F3.P3.S3.Br1.		13.0	774.9486	-0.6 mmu 
C13.H25.N11.O6.F4.P3.S3.Br1.		15.0	774.9484	-0.4 mmu 
C22.H22.N9.F5.P3.S3.Br1.		24.0	774.9477	+0.3 mmu 
C18.H27.N5.O5.F6.P3.S3.Br1.		15.0	774.9475	+0.5 mmu 
C12.H20.N15.F7.P3.S3.Br1.		17.0	774.9473	+0.7 mmu 
C15.H28.N5.O6.F7.P3.S3.Br1.		11.0	774.9486	-0.6 mmu 
C14.H32.N1.O10.F7.P3.S3.Br1.		6.0	774.9473	+0.7 mmu 
C24.H25.N3.F8.P3.S3.Br1.		20.0	774.9479	+0.1 mmu 
C11.H33.N1.O11.F8.P3.S3.Br1.		2.0	774.9484	-0.4 mmu 
C14.H23.N9.F10.P3.S3.Br1.		13.0	774.9475	+0.5 mmu 
C11.H24.N9.O1.F11.P3.S3.Br1.		9.0	774.9487	-0.7 mmu 
C10.H28.N5.O5.F11.P3.S3.Br1.		4.0	774.9473	+0.7 mmu 
C27.H30.N3.O5.P4.S3.Br1.		26.0	774.9481	-0.1 mmu 
C14.H38.N1.O16.P4.S3.Br1.		8.0	774.9487	-0.7 mmu 
C21.H23.N13.F1.P4.S3.Br1.		28.0	774.9479	+0.1 mmu 
C33.H28.N1.F2.P4.S3.Br1.		31.0	774.9486	-0.6 mmu 
C17.H28.N9.O5.F2.P4.S3.Br1.		19.0	774.9477	+0.3 mmu 
C13.H33.N5.O10.F3.P4.S3.Br1.		10.0	774.9475	+0.5 mmu 
C23.H26.N7.F4.P4.S3.Br1.		24.0	774.9482	-0.2 mmu 
C19.H31.N3.O5.F5.P4.S3.Br1.		15.0	774.9480	+0.0 mmu 
C13.H24.N13.F6.P4.S3.Br1.		17.0	774.9478	+0.2 mmu 
C25.H29.N1.F7.P4.S3.Br1.		20.0	774.9484	-0.4 mmu 
C15.H27.N7.F9.P4.S3.Br1.		13.0	774.9480	-0.0 mmu 
C17.H30.N1.F12.P4.S3.Br1.		9.0	774.9483	-0.3 mmu 
C22.H27.N11.P5.S3.Br1.		28.0	774.9484	-0.4 mmu 
C18.H32.N7.O5.F1.P5.S3.Br1.		19.0	774.9483	-0.3 mmu 
C24.H30.N5.F3.P5.S3.Br1.		24.0	774.9487	-0.7 mmu 
C23.H34.N1.O4.F3.P5.S3.Br1.		19.0	774.9474	+0.6 mmu 
C20.H35.N1.O5.F4.P5.S3.Br1.		15.0	774.9485	-0.5 mmu 
C16.H31.N5.F8.P5.S3.Br1.		13.0	774.9485	-0.5 mmu 
C19.H36.N5.O5.P6.S3.Br1.		19.0	774.9488	-0.8 mmu 
C36.H18.N5.O3.S4.Br1.		38.0	774.9476	+0.4 mmu 
C21.H14.N17.O4.S4.Br1.		31.0	774.9481	-0.1 mmu 
C23.H26.N3.O14.S4.Br1.		20.0	774.9481	-0.1 mmu 
C33.H19.N5.O4.F1.S4.Br1.		34.0	774.9487	-0.7 mmu 
C32.H23.N1.O8.F1.S4.Br1.		29.0	774.9474	+0.6 mmu 
C17.H19.N13.O9.F1.S4.Br1.		22.0	774.9479	+0.1 mmu 
C29.H24.N1.O9.F2.S4.Br1.		25.0	774.9485	-0.5 mmu 
C13.H24.N9.O14.F2.S4.Br1.		13.0	774.9477	+0.3 mmu 
C23.H17.N11.O4.F3.S4.Br1.		27.0	774.9483	-0.3 mmu 
C19.H22.N7.O9.F4.S4.Br1.		18.0	774.9481	-0.1 mmu 
C28.H19.N5.O3.F5.S4.Br1.		27.0	774.9474	+0.6 mmu 
C13.H15.N17.O4.F5.S4.Br1.		20.0	774.9479	+0.1 mmu 
C15.H27.N3.O14.F5.S4.Br1.		9.0	774.9479	+0.1 mmu 
C25.H20.N5.O4.F6.S4.Br1.		23.0	774.9486	-0.6 mmu 
C24.H24.N1.O8.F6.S4.Br1.		18.0	774.9472	+0.8 mmu 
C9.H20.N13.O9.F6.S4.Br1.		11.0	774.9477	+0.3 mmu 
C21.H25.N1.O9.F7.S4.Br1.		14.0	774.9484	-0.4 mmu 
C15.H18.N11.O4.F8.S4.Br1.		16.0	774.9482	-0.2 mmu 
C11.H23.N7.O9.F9.S4.Br1.		7.0	774.9480	+0.0 mmu 
C20.H20.N5.O3.F10.S4.Br1.		16.0	774.9473	+0.7 mmu 
C17.H21.N5.O4.F11.S4.Br1.		12.0	774.9484	-0.4 mmu 
C13.H26.N1.O9.F12.S4.Br1.		3.0	774.9482	-0.2 mmu 
C18.H23.N11.O9.P1.S4.Br1.		22.0	774.9484	-0.4 mmu 
C27.H20.N9.O3.F1.P1.S4.Br1.		31.0	774.9477	+0.3 mmu 
C12.H16.N21.O4.F1.P1.S4.Br1.		24.0	774.9482	-0.2 mmu 
C14.H28.N7.O14.F1.P1.S4.Br1.		13.0	774.9482	-0.2 mmu 
C23.H25.N5.O8.F2.P1.S4.Br1.		22.0	774.9475	+0.5 mmu 
C17.H18.N15.O3.F3.P1.S4.Br1.		24.0	774.9473	+0.7 mmu 
C20.H26.N5.O9.F3.P1.S4.Br1.		18.0	774.9486	-0.6 mmu 
C19.H30.N1.O13.F3.P1.S4.Br1.		13.0	774.9473	+0.7 mmu 
C29.H23.N3.O3.F4.P1.S4.Br1.		27.0	774.9479	+0.1 mmu 
C14.H19.N15.O4.F4.P1.S4.Br1.		20.0	774.9484	-0.4 mmu 
C16.H31.N1.O14.F4.P1.S4.Br1.		9.0	774.9484	-0.4 mmu 
C10.H24.N11.O9.F5.P1.S4.Br1.		11.0	774.9482	-0.2 mmu 
C19.H21.N9.O3.F6.P1.S4.Br1.		20.0	774.9475	+0.5 mmu 
C16.H22.N9.O4.F7.P1.S4.Br1.		16.0	774.9487	-0.7 mmu 
C15.H26.N5.O8.F7.P1.S4.Br1.		11.0	774.9473	+0.7 mmu 
C12.H27.N5.O9.F8.P1.S4.Br1.		7.0	774.9485	-0.5 mmu 
C21.H24.N3.O3.F9.P1.S4.Br1.		16.0	774.9478	+0.2 mmu 
C11.H22.N9.O3.F11.P1.S4.Br1.		9.0	774.9474	+0.6 mmu 
C8.H23.N9.O4.F12.P1.S4.Br1.		5.0	774.9485	-0.5 mmu 
C28.H24.N7.O3.P2.S4.Br1.		31.0	774.9482	-0.2 mmu 
C13.H20.N19.O4.P2.S4.Br1.		24.0	774.9487	-0.7 mmu 
C12.H24.N15.O8.P2.S4.Br1.		19.0	774.9474	+0.6 mmu 
C15.H32.N5.O14.P2.S4.Br1.		13.0	774.9487	-0.7 mmu 
C24.H29.N3.O8.F1.P2.S4.Br1.		22.0	774.9480	-0.0 mmu 
C9.H25.N15.O9.F1.P2.S4.Br1.		15.0	774.9485	-0.5 mmu 
C33.H26.N1.O2.F2.P2.S4.Br1.		31.0	774.9473	+0.7 mmu 
C18.H22.N13.O3.F2.P2.S4.Br1.		24.0	774.9478	+0.2 mmu 
C30.H27.N1.O3.F3.P2.S4.Br1.		27.0	774.9484	-0.4 mmu 
C14.H27.N9.O8.F3.P2.S4.Br1.		15.0	774.9476	+0.4 mmu 
C11.H28.N9.O9.F4.P2.S4.Br1.		11.0	774.9488	-0.8 mmu 
C20.H25.N7.O3.F5.P2.S4.Br1.		20.0	774.9480	-0.0 mmu 
C16.H30.N3.O8.F6.P2.S4.Br1.		11.0	774.9479	+0.1 mmu 
C10.H23.N13.O3.F7.P2.S4.Br1.		13.0	774.9476	+0.4 mmu 
C22.H28.N1.O3.F8.P2.S4.Br1.		16.0	774.9483	-0.3 mmu 
C12.H26.N7.O3.F10.P2.S4.Br1.		9.0	774.9479	+0.1 mmu 
C25.H33.N1.O8.P3.S4.Br1.		22.0	774.9485	-0.5 mmu 
C19.H26.N11.O3.F1.P3.S4.Br1.		24.0	774.9483	-0.3 mmu 
C15.H31.N7.O8.F2.P3.S4.Br1.		15.0	774.9481	-0.1 mmu 
C24.H28.N5.O2.F3.P3.S4.Br1.		24.0	774.9474	+0.6 mmu 
C21.H29.N5.O3.F4.P3.S4.Br1.		20.0	774.9486	-0.6 mmu 
C17.H34.N1.O8.F5.P3.S4.Br1.		11.0	774.9484	-0.4 mmu 
C11.H27.N11.O3.F6.P3.S4.Br1.		13.0	774.9482	-0.2 mmu 
C16.H29.N5.O2.F8.P3.S4.Br1.		13.0	774.9473	+0.7 mmu 
C13.H30.N5.O3.F9.P3.S4.Br1.		9.0	774.9484	-0.4 mmu 
C15.H39.N1.O12.F1.P4.S4.Br1.		10.0	774.9473	+0.7 mmu 
C25.H32.N3.O2.F2.P4.S4.Br1.		24.0	774.9479	+0.1 mmu 
C17.H33.N3.O2.F7.P4.S4.Br1.		13.0	774.9478	+0.2 mmu 
C29.H35.N1.O1.P5.S4.Br1.		28.0	774.9473	+0.7 mmu 
C26.H36.N1.O2.F1.P5.S4.Br1.		24.0	774.9484	-0.4 mmu 
C18.H37.N1.O2.F6.P5.S4.Br1.		13.0	774.9483	-0.3 mmu 
C29.H18.N11.O1.S5.Br1.		36.0	774.9483	-0.3 mmu 
C14.H14.N23.O2.S5.Br1.		29.0	774.9488	-0.8 mmu 
C13.H18.N19.O6.S5.Br1.		24.0	774.9474	+0.6 mmu 
C15.H30.N5.O16.S5.Br1.		13.0	774.9474	+0.6 mmu 
C25.H23.N7.O6.F1.S5.Br1.		27.0	774.9481	-0.1 mmu 
C10.H19.N19.O7.F1.S5.Br1.		20.0	774.9486	-0.6 mmu 
C34.H20.N5.F2.S5.Br1.		36.0	774.9474	+0.6 mmu 
C19.H16.N17.O1.F2.S5.Br1.		29.0	774.9479	+0.1 mmu 
C21.H28.N3.O11.F2.S5.Br1.		18.0	774.9479	+0.1 mmu 
C31.H21.N5.O1.F3.S5.Br1.		32.0	774.9485	-0.5 mmu 
C15.H21.N13.O6.F3.S5.Br1.		20.0	774.9477	+0.3 mmu 
C27.H26.N1.O6.F4.S5.Br1.		23.0	774.9483	-0.3 mmu 
C11.H26.N9.O11.F4.S5.Br1.		11.0	774.9475	+0.5 mmu 
C21.H19.N11.O1.F5.S5.Br1.		25.0	774.9481	-0.1 mmu 
C17.H24.N7.O6.F6.S5.Br1.		16.0	774.9479	+0.1 mmu 
C11.H17.N17.O1.F7.S5.Br1.		18.0	774.9477	+0.3 mmu 
C13.H29.N3.O11.F7.S5.Br1.		7.0	774.9477	+0.3 mmu 
C23.H22.N5.O1.F8.S5.Br1.		21.0	774.9484	-0.4 mmu 
C19.H27.N1.O6.F9.S5.Br1.		12.0	774.9482	-0.2 mmu 
C13.H20.N11.O1.F10.S5.Br1.		14.0	774.9480	+0.0 mmu 
C9.H25.N7.O6.F11.S5.Br1.		5.0	774.9478	+0.2 mmu 
C23.H19.N15.P1.S5.Br1.		33.0	774.9472	+0.8 mmu 
C26.H27.N5.O6.P1.S5.Br1.		27.0	774.9486	-0.6 mmu 
C25.H31.N1.O10.P1.S5.Br1.		22.0	774.9472	+0.8 mmu 
C10.H27.N13.O11.P1.S5.Br1.		15.0	774.9478	+0.2 mmu 
C35.H24.N3.F1.P1.S5.Br1.		36.0	774.9479	+0.1 mmu 
C20.H20.N15.O1.F1.P1.S5.Br1.		29.0	774.9484	-0.4 mmu 
C22.H32.N1.O11.F1.P1.S5.Br1.		18.0	774.9484	-0.4 mmu 
C16.H25.N11.O6.F2.P1.S5.Br1.		20.0	774.9482	-0.2 mmu 
C25.H22.N9.F3.P1.S5.Br1.		29.0	774.9475	+0.5 mmu 
C12.H30.N7.O11.F3.P1.S5.Br1.		11.0	774.9480	+0.0 mmu 
C22.H23.N9.O1.F4.P1.S5.Br1.		25.0	774.9486	-0.6 mmu 
C21.H27.N5.O5.F4.P1.S5.Br1.		20.0	774.9473	+0.7 mmu 
C18.H28.N5.O6.F5.P1.S5.Br1.		16.0	774.9484	-0.4 mmu 
C27.H25.N3.F6.P1.S5.Br1.		25.0	774.9477	+0.3 mmu 
C12.H21.N15.O1.F6.P1.S5.Br1.		18.0	774.9482	-0.2 mmu 
C14.H33.N1.O11.F6.P1.S5.Br1.		7.0	774.9482	-0.2 mmu 
C17.H23.N9.F8.P1.S5.Br1.		18.0	774.9473	+0.7 mmu 
C14.H24.N9.O1.F9.P1.S5.Br1.		14.0	774.9485	-0.5 mmu 
C10.H29.N5.O6.F10.P1.S5.Br1.		5.0	774.9483	-0.3 mmu 
C19.H26.N3.F11.P1.S5.Br1.		14.0	774.9476	+0.4 mmu 
C16.H27.N3.O1.F12.P1.S5.Br1.		10.0	774.9487	-0.7 mmu 
C36.H28.N1.P2.S5.Br1.		36.0	774.9484	-0.4 mmu 
C20.H28.N9.O5.P2.S5.Br1.		24.0	774.9476	+0.4 mmu 
C14.H21.N19.F1.P2.S5.Br1.		26.0	774.9473	+0.7 mmu 
C17.H29.N9.O6.F1.P2.S5.Br1.		20.0	774.9487	-0.7 mmu 
C16.H33.N5.O10.F1.P2.S5.Br1.		15.0	774.9474	+0.6 mmu 
C26.H26.N7.F2.P2.S5.Br1.		29.0	774.9480	+0.0 mmu 
C11.H22.N19.O1.F2.P2.S5.Br1.		22.0	774.9485	-0.5 mmu 
C13.H34.N5.O11.F2.P2.S5.Br1.		11.0	774.9485	-0.5 mmu 
C22.H31.N3.O5.F3.P2.S5.Br1.		20.0	774.9478	+0.2 mmu 
C16.H24.N13.F4.P2.S5.Br1.		22.0	774.9476	+0.4 mmu 
C28.H29.N1.F5.P2.S5.Br1.		25.0	774.9482	-0.2 mmu 
C13.H25.N13.O1.F5.P2.S5.Br1.		18.0	774.9487	-0.7 mmu 
C12.H29.N9.O5.F5.P2.S5.Br1.		13.0	774.9474	+0.6 mmu 
C18.H27.N7.F7.P2.S5.Br1.		18.0	774.9478	+0.2 mmu 
C14.H32.N3.O5.F8.P2.S5.Br1.		9.0	774.9476	+0.4 mmu 
C20.H30.N1.F10.P2.S5.Br1.		14.0	774.9481	-0.1 mmu 
C10.H28.N7.F12.P2.S5.Br1.		7.0	774.9477	+0.3 mmu 
C15.H25.N17.P3.S5.Br1.		26.0	774.9479	+0.1 mmu 
C17.H37.N3.O10.P3.S5.Br1.		15.0	774.9479	+0.1 mmu 
C27.H30.N5.F1.P3.S5.Br1.		29.0	774.9485	-0.5 mmu 
C11.H30.N13.O5.F1.P3.S5.Br1.		17.0	774.9477	+0.3 mmu 
C23.H35.N1.O5.F2.P3.S5.Br1.		20.0	774.9483	-0.3 mmu 
C17.H28.N11.F3.P3.S5.Br1.		22.0	774.9481	-0.1 mmu 
C13.H33.N7.O5.F4.P3.S5.Br1.		13.0	774.9479	+0.1 mmu 
C19.H31.N5.F6.P3.S5.Br1.		18.0	774.9483	-0.3 mmu 
C15.H36.N1.O5.F7.P3.S5.Br1.		9.0	774.9481	-0.1 mmu 
C11.H32.N5.F11.P3.S5.Br1.		7.0	774.9482	-0.2 mmu 
C18.H40.N3.O4.F1.P5.S5.Br1.		17.0	774.9478	+0.2 mmu 
C19.H44.N1.O4.P6.S5.Br1.		17.0	774.9483	-0.3 mmu 
C21.H22.N13.O3.S6.Br1.		29.0	774.9476	+0.4 mmu 
C33.H27.N1.O3.F1.S6.Br1.		32.0	774.9483	-0.3 mmu 
C18.H23.N13.O4.F1.S6.Br1.		25.0	774.9488	-0.8 mmu 
C17.H27.N9.O8.F1.S6.Br1.		20.0	774.9474	+0.6 mmu 
C14.H28.N9.O9.F2.S6.Br1.		16.0	774.9486	-0.6 mmu 
C13.H32.N5.O13.F2.S6.Br1.		11.0	774.9472	+0.8 mmu 
C23.H25.N7.O3.F3.S6.Br1.		25.0	774.9479	+0.1 mmu 
C19.H30.N3.O8.F4.S6.Br1.		16.0	774.9477	+0.3 mmu 
C13.H23.N13.O3.F5.S6.Br1.		18.0	774.9475	+0.5 mmu 
C25.H28.N1.O3.F6.S6.Br1.		21.0	774.9481	-0.1 mmu 
C10.H24.N13.O4.F6.S6.Br1.		14.0	774.9486	-0.6 mmu 
C15.H26.N7.O3.F8.S6.Br1.		14.0	774.9477	+0.3 mmu 
C11.H31.N3.O8.F9.S6.Br1.		5.0	774.9475	+0.5 mmu 
C17.H29.N1.O3.F11.S6.Br1.		10.0	774.9479	+0.1 mmu 
C18.H31.N7.O8.P1.S6.Br1.		20.0	774.9479	+0.1 mmu 
C27.H28.N5.O2.F1.P1.S6.Br1.		29.0	774.9472	+0.8 mmu 
C12.H24.N17.O3.F1.P1.S6.Br1.		22.0	774.9477	+0.3 mmu 
C14.H36.N3.O13.F1.P1.S6.Br1.		11.0	774.9477	+0.3 mmu 
C24.H29.N5.O3.F2.P1.S6.Br1.		25.0	774.9484	-0.4 mmu 
C20.H34.N1.O8.F3.P1.S6.Br1.		16.0	774.9482	-0.2 mmu 
C14.H27.N11.O3.F4.P1.S6.Br1.		18.0	774.9480	+0.0 mmu 
C16.H30.N5.O3.F7.P1.S6.Br1.		14.0	774.9482	-0.2 mmu 
C12.H35.N1.O8.F8.P1.S6.Br1.		5.0	774.9480	-0.0 mmu 
C28.H32.N3.O2.P2.S6.Br1.		29.0	774.9477	+0.3 mmu 
C13.H28.N15.O3.P2.S6.Br1.		22.0	774.9482	-0.2 mmu 
C15.H40.N1.O13.P2.S6.Br1.		11.0	774.9483	-0.3 mmu 
C18.H30.N9.O2.F2.P2.S6.Br1.		22.0	774.9473	+0.7 mmu 
C15.H31.N9.O3.F3.P2.S6.Br1.		18.0	774.9485	-0.5 mmu 
C20.H33.N3.O2.F5.P2.S6.Br1.		18.0	774.9476	+0.4 mmu 
C17.H34.N3.O3.F6.P2.S6.Br1.		14.0	774.9487	-0.7 mmu 
C12.H34.N3.O2.F10.P2.S6.Br1.		7.0	774.9474	+0.6 mmu 
C19.H34.N7.O2.F1.P3.S6.Br1.		22.0	774.9478	+0.2 mmu 
C15.H39.N3.O7.F2.P3.S6.Br1.		13.0	774.9477	+0.3 mmu 
C21.H37.N1.O2.F4.P3.S6.Br1.		18.0	774.9481	-0.1 mmu 
C13.H38.N1.O2.F9.P3.S6.Br1.		7.0	774.9479	+0.1 mmu 
C16.H43.N1.O7.F1.P4.S6.Br1.		13.0	774.9482	-0.2 mmu 
C16.H42.N3.O1.F3.P5.S6.Br1.		15.0	774.9476	+0.4 mmu 
C29.H26.N7.S7.Br1.		34.0	774.9478	+0.2 mmu 
C14.H22.N19.O1.S7.Br1.		27.0	774.9483	-0.3 mmu 
C16.H34.N5.O11.S7.Br1.		16.0	774.9483	-0.3 mmu 
C25.H31.N3.O5.F1.S7.Br1.		25.0	774.9476	+0.4 mmu 
C19.H24.N13.F2.S7.Br1.		27.0	774.9474	+0.6 mmu 
C22.H32.N3.O6.F2.S7.Br1.		21.0	774.9487	-0.7 mmu 
C31.H29.N1.F3.S7.Br1.		30.0	774.9480	-0.0 mmu 
C16.H25.N13.O1.F3.S7.Br1.		23.0	774.9485	-0.5 mmu 
C12.H30.N9.O6.F4.S7.Br1.		14.0	774.9483	-0.3 mmu 
C21.H27.N7.F5.S7.Br1.		23.0	774.9476	+0.4 mmu 
C17.H32.N3.O5.F6.S7.Br1.		14.0	774.9474	+0.6 mmu 
C11.H25.N13.F7.S7.Br1.		16.0	774.9472	+0.8 mmu 
C14.H33.N3.O6.F7.S7.Br1.		10.0	774.9486	-0.6 mmu 
C23.H30.N1.F8.S7.Br1.		19.0	774.9479	+0.1 mmu 
C13.H28.N7.F10.S7.Br1.		12.0	774.9475	+0.5 mmu 
C26.H35.N1.O5.P1.S7.Br1.		25.0	774.9481	-0.1 mmu 
C11.H31.N13.O6.P1.S7.Br1.		18.0	774.9486	-0.6 mmu 
C20.H28.N11.F1.P1.S7.Br1.		27.0	774.9479	+0.1 mmu 
C16.H33.N7.O5.F2.P1.S7.Br1.		18.0	774.9477	+0.3 mmu 
C22.H31.N5.F4.P1.S7.Br1.		23.0	774.9482	-0.2 mmu 
C18.H36.N1.O5.F5.P1.S7.Br1.		14.0	774.9480	+0.0 mmu 
C12.H29.N11.F6.P1.S7.Br1.		16.0	774.9478	+0.2 mmu 
C14.H32.N5.F9.P1.S7.Br1.		12.0	774.9480	+0.0 mmu 
C21.H32.N9.P2.S7.Br1.		27.0	774.9484	-0.4 mmu 
C17.H37.N5.O5.F1.P2.S7.Br1.		18.0	774.9482	-0.2 mmu 
C11.H30.N15.F2.P2.S7.Br1.		20.0	774.9480	-0.0 mmu 
C23.H35.N3.F3.P2.S7.Br1.		23.0	774.9487	-0.7 mmu 
C13.H33.N9.F5.P2.S7.Br1.		16.0	774.9483	-0.3 mmu 
C15.H36.N3.F8.P2.S7.Br1.		12.0	774.9485	-0.5 mmu 
C18.H41.N3.O5.P3.S7.Br1.		18.0	774.9487	-0.7 mmu 
C12.H34.N13.F1.P3.S7.Br1.		20.0	774.9485	-0.5 mmu 
C14.H37.N7.F4.P3.S7.Br1.		16.0	774.9488	-0.8 mmu 
C18.H31.N9.O3.F1.S8.Br1.		23.0	774.9483	-0.3 mmu 
C14.H36.N5.O8.F2.S8.Br1.		14.0	774.9481	-0.1 mmu 
C23.H33.N3.O2.F3.S8.Br1.		23.0	774.9474	+0.6 mmu 
C20.H34.N3.O3.F4.S8.Br1.		19.0	774.9485	-0.5 mmu 
C15.H34.N3.O2.F8.S8.Br1.		12.0	774.9472	+0.8 mmu 
C18.H39.N3.O7.P1.S8.Br1.		18.0	774.9475	+0.5 mmu 
C15.H40.N3.O8.F1.P1.S8.Br1.		14.0	774.9486	-0.6 mmu 
C24.H37.N1.O2.F2.P1.S8.Br1.		23.0	774.9479	+0.1 mmu 
C14.H35.N7.O2.F4.P1.S8.Br1.		16.0	774.9475	+0.5 mmu 
C16.H38.N1.O2.F7.P1.S8.Br1.		12.0	774.9477	+0.3 mmu 
C13.H36.N11.O2.P2.S8.Br1.		20.0	774.9478	+0.2 mmu 
C15.H39.N5.O2.F3.P2.S8.Br1.		16.0	774.9480	-0.0 mmu 
C19.H42.N3.O1.F1.P3.S8.Br1.		20.0	774.9474	+0.6 mmu 
C16.H43.N3.O2.F2.P3.S8.Br1.		16.0	774.9485	-0.5 mmu 
C20.H46.N1.O1.P4.S8.Br1.		20.0	774.9479	+0.1 mmu 
C14.H30.N15.S9.Br1.		25.0	774.9478	+0.2 mmu 
C16.H42.N1.O10.S9.Br1.		14.0	774.9478	+0.2 mmu 
C26.H35.N3.F1.S9.Br1.		28.0	774.9485	-0.5 mmu 
C16.H33.N9.F3.S9.Br1.		21.0	774.9481	-0.1 mmu 
C18.H36.N3.F6.S9.Br1.		17.0	774.9483	-0.3 mmu 
C17.H37.N7.F2.P1.S9.Br1.		21.0	774.9486	-0.6 mmu 
C16.H41.N3.O4.F2.P1.S9.Br1.		16.0	774.9472	+0.8 mmu 
C17.H45.N1.O4.F1.P2.S9.Br1.		16.0	774.9478	+0.2 mmu 
C18.H39.N5.O2.F1.S10.Br1.		21.0	774.9478	+0.2 mmu 
C19.H43.N3.O2.P1.S10.Br1.		21.0	774.9483	-0.3 mmu 
C17.H46.N1.O5.S11.Br1.		17.0	774.9487	-0.7 mmu 
C33.H15.N3.O13.Cl1.Br1.		27.0	774.9477	+0.3 mmu 
C18.H11.N15.O14.Cl1.Br1.		20.0	774.9482	-0.2 mmu 
C20.H23.N1.O24.Cl1.Br1.		9.0	774.9482	-0.2 mmu 
C27.H8.N13.O8.F1.Cl1.Br1.		29.0	774.9475	+0.5 mmu 
C39.H13.N1.O8.F2.Cl1.Br1.		32.0	774.9481	-0.1 mmu 
C24.H9.N13.O9.F2.Cl1.Br1.		25.0	774.9486	-0.6 mmu 
C23.H13.N9.O13.F2.Cl1.Br1.		20.0	774.9473	+0.7 mmu 
C20.H14.N9.O14.F3.Cl1.Br1.		16.0	774.9484	-0.4 mmu 
C29.H11.N7.O8.F4.Cl1.Br1.		25.0	774.9477	+0.3 mmu 
C14.H7.N19.O9.F4.Cl1.Br1.		18.0	774.9482	-0.2 mmu 
C16.H19.N5.O19.F4.Cl1.Br1.		7.0	774.9482	-0.2 mmu 
C25.H16.N3.O13.F5.Cl1.Br1.		16.0	774.9475	+0.5 mmu 
C35.H9.N5.O3.F6.Cl1.Br1.		30.0	774.9481	-0.1 mmu 
C20.H5.N17.O4.F6.Cl1.Br1.		23.0	774.9487	-0.7 mmu 
C19.H9.N13.O8.F6.Cl1.Br1.		18.0	774.9473	+0.7 mmu 
C22.H17.N3.O14.F6.Cl1.Br1.		12.0	774.9487	-0.7 mmu 
C31.H14.N1.O8.F7.Cl1.Br1.		21.0	774.9480	+0.0 mmu 
C16.H10.N13.O9.F7.Cl1.Br1.		14.0	774.9485	-0.5 mmu 
C25.H7.N11.O3.F8.Cl1.Br1.		23.0	774.9477	+0.3 mmu 
C12.H15.N9.O14.F8.Cl1.Br1.		5.0	774.9483	-0.3 mmu 
C21.H12.N7.O8.F9.Cl1.Br1.		14.0	774.9476	+0.4 mmu 
C15.H5.N17.O3.F10.Cl1.Br1.		16.0	774.9473	+0.7 mmu 
C18.H13.N7.O9.F10.Cl1.Br1.		10.0	774.9487	-0.7 mmu 
C17.H17.N3.O13.F10.Cl1.Br1.		5.0	774.9474	+0.6 mmu 
C27.H10.N5.O3.F11.Cl1.Br1.		19.0	774.9480	+0.0 mmu 
C12.H6.N17.O4.F11.Cl1.Br1.		12.0	774.9485	-0.5 mmu 
C14.H18.N3.O14.F11.Cl1.Br1.		1.0	774.9485	-0.5 mmu 
C23.H15.N1.O8.F12.Cl1.Br1.		10.0	774.9478	+0.2 mmu 
C8.H11.N13.O9.F12.Cl1.Br1.		3.0	774.9483	-0.3 mmu 
C28.H12.N11.O8.P1.Cl1.Br1.		29.0	774.9480	+0.0 mmu 
C13.H8.N23.O9.P1.Cl1.Br1.		22.0	774.9485	-0.5 mmu 
C37.H9.N9.O2.F1.P1.Cl1.Br1.		38.0	774.9473	+0.7 mmu 
C22.H5.N21.O3.F1.P1.Cl1.Br1.		31.0	774.9478	+0.2 mmu 
C24.H17.N7.O13.F1.P1.Cl1.Br1.		20.0	774.9478	+0.2 mmu 
C34.H10.N9.O3.F2.P1.Cl1.Br1.		34.0	774.9484	-0.4 mmu 
C18.H10.N17.O8.F2.P1.Cl1.Br1.		22.0	774.9476	+0.4 mmu 
C20.H22.N3.O18.F2.P1.Cl1.Br1.		11.0	774.9476	+0.4 mmu 
C30.H15.N5.O8.F3.P1.Cl1.Br1.		25.0	774.9482	-0.2 mmu 
C15.H11.N17.O9.F3.P1.Cl1.Br1.		18.0	774.9487	-0.7 mmu 
C14.H15.N13.O13.F3.P1.Cl1.Br1.		13.0	774.9474	+0.6 mmu 
C17.H23.N3.O19.F3.P1.Cl1.Br1.		7.0	774.9487	-0.7 mmu 
C39.H12.N3.O2.F4.P1.Cl1.Br1.		34.0	774.9475	+0.5 mmu 
C24.H8.N15.O3.F4.P1.Cl1.Br1.		27.0	774.9480	-0.0 mmu 
C26.H20.N1.O13.F4.P1.Cl1.Br1.		16.0	774.9480	-0.0 mmu 
C36.H13.N3.O3.F5.P1.Cl1.Br1.		30.0	774.9487	-0.7 mmu 
C20.H13.N11.O8.F5.P1.Cl1.Br1.		18.0	774.9478	+0.2 mmu 
C14.H6.N21.O3.F6.P1.Cl1.Br1.		20.0	774.9476	+0.4 mmu 
C16.H18.N7.O13.F6.P1.Cl1.Br1.		9.0	774.9476	+0.4 mmu 
C26.H11.N9.O3.F7.P1.Cl1.Br1.		23.0	774.9483	-0.3 mmu 
C11.H7.N21.O4.F7.P1.Cl1.Br1.		16.0	774.9488	-0.8 mmu 
C10.H11.N17.O8.F7.P1.Cl1.Br1.		11.0	774.9474	+0.6 mmu 
C13.H19.N7.O14.F7.P1.Cl1.Br1.		5.0	774.9488	-0.8 mmu 
C22.H16.N5.O8.F8.P1.Cl1.Br1.		14.0	774.9481	-0.1 mmu 
C31.H13.N3.O2.F9.P1.Cl1.Br1.		23.0	774.9474	+0.6 mmu 
C16.H9.N15.O3.F9.P1.Cl1.Br1.		16.0	774.9479	+0.1 mmu 
C18.H21.N1.O13.F9.P1.Cl1.Br1.		5.0	774.9479	+0.1 mmu 
C28.H14.N3.O3.F10.P1.Cl1.Br1.		19.0	774.9485	-0.5 mmu 
C12.H14.N11.O8.F10.P1.Cl1.Br1.		7.0	774.9477	+0.3 mmu 
C18.H12.N9.O3.F12.P1.Cl1.Br1.		12.0	774.9481	-0.1 mmu 
C38.H13.N7.O2.P2.Cl1.Br1.		38.0	774.9478	+0.2 mmu 
C23.H9.N19.O3.P2.Cl1.Br1.		31.0	774.9483	-0.3 mmu 
C25.H21.N5.O13.P2.Cl1.Br1.		20.0	774.9483	-0.3 mmu 
C34.H18.N3.O7.F1.P2.Cl1.Br1.		29.0	774.9476	+0.4 mmu 
C19.H14.N15.O8.F1.P2.Cl1.Br1.		22.0	774.9481	-0.1 mmu 
C21.H26.N1.O18.F1.P2.Cl1.Br1.		11.0	774.9481	-0.1 mmu 
C28.H11.N13.O2.F2.P2.Cl1.Br1.		31.0	774.9474	+0.6 mmu 
C13.H7.N25.O3.F2.P2.Cl1.Br1.		24.0	774.9479	+0.1 mmu 
C31.H19.N3.O8.F2.P2.Cl1.Br1.		25.0	774.9487	-0.7 mmu 
C15.H19.N11.O13.F2.P2.Cl1.Br1.		13.0	774.9479	+0.1 mmu 
C40.H16.N1.O2.F3.P2.Cl1.Br1.		34.0	774.9480	-0.0 mmu 
C25.H12.N13.O3.F3.P2.Cl1.Br1.		27.0	774.9485	-0.5 mmu 
C21.H17.N9.O8.F4.P2.Cl1.Br1.		18.0	774.9483	-0.3 mmu 
C30.H14.N7.O2.F5.P2.Cl1.Br1.		27.0	774.9476	+0.4 mmu 
C15.H10.N19.O3.F5.P2.Cl1.Br1.		20.0	774.9481	-0.1 mmu 
C17.H22.N5.O13.F5.P2.Cl1.Br1.		9.0	774.9481	-0.1 mmu 
C27.H15.N7.O3.F6.P2.Cl1.Br1.		23.0	774.9488	-0.8 mmu 
C26.H19.N3.O7.F6.P2.Cl1.Br1.		18.0	774.9474	+0.6 mmu 
C11.H15.N15.O8.F6.P2.Cl1.Br1.		11.0	774.9479	+0.1 mmu 
C20.H12.N13.O2.F7.P2.Cl1.Br1.		20.0	774.9472	+0.8 mmu 
C23.H20.N3.O8.F7.P2.Cl1.Br1.		14.0	774.9486	-0.6 mmu 
C32.H17.N1.O2.F8.P2.Cl1.Br1.		23.0	774.9479	+0.1 mmu 
C17.H13.N13.O3.F8.P2.Cl1.Br1.		16.0	774.9484	-0.4 mmu 
C13.H18.N9.O8.F9.P2.Cl1.Br1.		7.0	774.9482	-0.2 mmu 
C22.H15.N7.O2.F10.P2.Cl1.Br1.		16.0	774.9475	+0.5 mmu 
C19.H16.N7.O3.F11.P2.Cl1.Br1.		12.0	774.9486	-0.6 mmu 
C18.H20.N3.O7.F11.P2.Cl1.Br1.		7.0	774.9473	+0.7 mmu 
C15.H21.N3.O8.F12.P2.Cl1.Br1.		3.0	774.9484	-0.4 mmu 
C17.H10.N23.O2.P3.Cl1.Br1.		28.0	774.9473	+0.7 mmu 
C35.H22.N1.O7.P3.Cl1.Br1.		29.0	774.9481	-0.1 mmu 
C20.H18.N13.O8.P3.Cl1.Br1.		22.0	774.9486	-0.6 mmu 
C19.H22.N9.O12.P3.Cl1.Br1.		17.0	774.9473	+0.7 mmu 
C29.H15.N11.O2.F1.P3.Cl1.Br1.		31.0	774.9479	+0.1 mmu 
C14.H11.N23.O3.F1.P3.Cl1.Br1.		24.0	774.9484	-0.4 mmu 
C16.H23.N9.O13.F1.P3.Cl1.Br1.		13.0	774.9484	-0.4 mmu 
C25.H20.N7.O7.F2.P3.Cl1.Br1.		22.0	774.9477	+0.3 mmu 
C10.H16.N19.O8.F2.P3.Cl1.Br1.		15.0	774.9482	-0.2 mmu 
C19.H13.N17.O2.F3.P3.Cl1.Br1.		24.0	774.9475	+0.5 mmu 
C21.H25.N3.O12.F3.P3.Cl1.Br1.		13.0	774.9475	+0.5 mmu 
C31.H18.N5.O2.F4.P3.Cl1.Br1.		27.0	774.9481	-0.1 mmu 
C16.H14.N17.O3.F4.P3.Cl1.Br1.		20.0	774.9486	-0.6 mmu 
C15.H18.N13.O7.F4.P3.Cl1.Br1.		15.0	774.9473	+0.7 mmu 
C18.H26.N3.O13.F4.P3.Cl1.Br1.		9.0	774.9487	-0.7 mmu 
C27.H23.N1.O7.F5.P3.Cl1.Br1.		18.0	774.9479	+0.1 mmu 
C12.H19.N13.O8.F5.P3.Cl1.Br1.		11.0	774.9484	-0.4 mmu 
C21.H16.N11.O2.F6.P3.Cl1.Br1.		20.0	774.9477	+0.3 mmu 
C17.H21.N7.O7.F7.P3.Cl1.Br1.		11.0	774.9475	+0.5 mmu 
C11.H14.N17.O2.F8.P3.Cl1.Br1.		13.0	774.9473	+0.7 mmu 
C14.H22.N7.O8.F8.P3.Cl1.Br1.		7.0	774.9487	-0.7 mmu 
C13.H26.N3.O12.F8.P3.Cl1.Br1.		2.0	774.9473	+0.7 mmu 
C23.H19.N5.O2.F9.P3.Cl1.Br1.		16.0	774.9480	+0.0 mmu 
C19.H24.N1.O7.F10.P3.Cl1.Br1.		7.0	774.9478	+0.2 mmu 
C13.H17.N11.O2.F11.P3.Cl1.Br1.		9.0	774.9476	+0.4 mmu 
C10.H18.N11.O3.F12.P3.Cl1.Br1.		5.0	774.9487	-0.7 mmu 
C30.H19.N9.O2.P4.Cl1.Br1.		31.0	774.9484	-0.4 mmu 
C14.H19.N17.O7.P4.Cl1.Br1.		19.0	774.9476	+0.4 mmu 
C16.H31.N3.O17.P4.Cl1.Br1.		8.0	774.9476	+0.4 mmu 
C26.H24.N5.O7.F1.P4.Cl1.Br1.		22.0	774.9482	-0.2 mmu 
C35.H21.N3.O1.F2.P4.Cl1.Br1.		31.0	774.9475	+0.5 mmu 
C20.H17.N15.O2.F2.P4.Cl1.Br1.		24.0	774.9480	-0.0 mmu 
C22.H29.N1.O12.F2.P4.Cl1.Br1.		13.0	774.9480	-0.0 mmu 
C32.H22.N3.O2.F3.P4.Cl1.Br1.		27.0	774.9486	-0.6 mmu 
C16.H22.N11.O7.F3.P4.Cl1.Br1.		15.0	774.9478	+0.2 mmu 
C22.H20.N9.O2.F5.P4.Cl1.Br1.		20.0	774.9482	-0.2 mmu 
C18.H25.N5.O7.F6.P4.Cl1.Br1.		11.0	774.9481	-0.1 mmu 
C27.H22.N3.O1.F7.P4.Cl1.Br1.		20.0	774.9473	+0.7 mmu 
C14.H30.N1.O12.F7.P4.Cl1.Br1.		2.0	774.9479	+0.1 mmu 
C24.H23.N3.O2.F8.P4.Cl1.Br1.		16.0	774.9485	-0.5 mmu 
C14.H21.N9.O2.F10.P4.Cl1.Br1.		9.0	774.9481	-0.1 mmu 
C24.H20.N13.O1.P5.Cl1.Br1.		28.0	774.9474	+0.6 mmu 
C27.H28.N3.O7.P5.Cl1.Br1.		22.0	774.9487	-0.7 mmu 
C36.H25.N1.O1.F1.P5.Cl1.Br1.		31.0	774.9480	-0.0 mmu 
C21.H21.N13.O2.F1.P5.Cl1.Br1.		24.0	774.9485	-0.5 mmu 
C17.H26.N9.O7.F2.P5.Cl1.Br1.		15.0	774.9483	-0.3 mmu 
C26.H23.N7.O1.F3.P5.Cl1.Br1.		24.0	774.9476	+0.4 mmu 
C23.H24.N7.O2.F4.P5.Cl1.Br1.		20.0	774.9488	-0.8 mmu 
C22.H28.N3.O6.F4.P5.Cl1.Br1.		15.0	774.9474	+0.6 mmu 
C19.H29.N3.O7.F5.P5.Cl1.Br1.		11.0	774.9486	-0.6 mmu 
C28.H26.N1.O1.F6.P5.Cl1.Br1.		20.0	774.9479	+0.1 mmu 
C18.H24.N7.O1.F8.P5.Cl1.Br1.		13.0	774.9475	+0.5 mmu 
C20.H27.N1.O1.F11.P5.Cl1.Br1.		9.0	774.9477	+0.3 mmu 
C21.H29.N7.O6.P6.Cl1.Br1.		19.0	774.9477	+0.3 mmu 
C27.H27.N5.O1.F2.P6.Cl1.Br1.		24.0	774.9481	-0.1 mmu 
C23.H32.N1.O6.F3.P6.Cl1.Br1.		15.0	774.9479	+0.1 mmu 
C19.H28.N5.O1.F7.P6.Cl1.Br1.		13.0	774.9480	+0.0 mmu 
C31.H30.N3.P7.Cl1.Br1.		28.0	774.9475	+0.5 mmu 
C28.H31.N3.O1.F1.P7.Cl1.Br1.		24.0	774.9486	-0.6 mmu 
C23.H31.N3.F5.P7.Cl1.Br1.		17.0	774.9473	+0.7 mmu 
C26.H15.N9.O11.S1.Cl1.Br1.		25.0	774.9484	-0.4 mmu 
C35.H12.N7.O5.F1.S1.Cl1.Br1.		34.0	774.9477	+0.3 mmu 
C20.H8.N19.O6.F1.S1.Cl1.Br1.		27.0	774.9482	-0.2 mmu 
C22.H20.N5.O16.F1.S1.Cl1.Br1.		16.0	774.9482	-0.2 mmu 
C31.H17.N3.O10.F2.S1.Cl1.Br1.		25.0	774.9475	+0.5 mmu 
C16.H13.N15.O11.F2.S1.Cl1.Br1.		18.0	774.9480	+0.0 mmu 
C18.H25.N1.O21.F2.S1.Cl1.Br1.		7.0	774.9480	+0.0 mmu 
C41.H10.N5.F3.S1.Cl1.Br1.		39.0	774.9481	-0.1 mmu 
C26.H6.N17.O1.F3.S1.Cl1.Br1.		32.0	774.9486	-0.6 mmu 
C25.H10.N13.O5.F3.S1.Cl1.Br1.		27.0	774.9473	+0.7 mmu 
C28.H18.N3.O11.F3.S1.Cl1.Br1.		21.0	774.9486	-0.6 mmu 
C37.H15.N1.O5.F4.S1.Cl1.Br1.		30.0	774.9479	+0.1 mmu 
C22.H11.N13.O6.F4.S1.Cl1.Br1.		23.0	774.9484	-0.4 mmu 
C31.H8.N11.F5.S1.Cl1.Br1.		32.0	774.9477	+0.3 mmu 
C16.H4.N23.O1.F5.S1.Cl1.Br1.		25.0	774.9482	-0.2 mmu 
C18.H16.N9.O11.F5.S1.Cl1.Br1.		14.0	774.9482	-0.2 mmu 
C27.H13.N7.O5.F6.S1.Cl1.Br1.		23.0	774.9475	+0.5 mmu 
C12.H9.N19.O6.F6.S1.Cl1.Br1.		16.0	774.9480	+0.0 mmu 
C14.H21.N5.O16.F6.S1.Cl1.Br1.		5.0	774.9480	-0.0 mmu 
C21.H6.N17.F7.S1.Cl1.Br1.		25.0	774.9473	+0.7 mmu 
C24.H14.N7.O6.F7.S1.Cl1.Br1.		19.0	774.9486	-0.6 mmu 
C23.H18.N3.O10.F7.S1.Cl1.Br1.		14.0	774.9473	+0.7 mmu 
C33.H11.N5.F8.S1.Cl1.Br1.		28.0	774.9479	+0.1 mmu 
C18.H7.N17.O1.F8.S1.Cl1.Br1.		21.0	774.9484	-0.4 mmu 
C20.H19.N3.O11.F8.S1.Cl1.Br1.		10.0	774.9484	-0.4 mmu 
C29.H16.N1.O5.F9.S1.Cl1.Br1.		19.0	774.9477	+0.3 mmu 
C14.H12.N13.O6.F9.S1.Cl1.Br1.		12.0	774.9482	-0.2 mmu 
C23.H9.N11.F10.S1.Cl1.Br1.		21.0	774.9475	+0.5 mmu 
C10.H17.N9.O11.F10.S1.Cl1.Br1.		3.0	774.9480	-0.0 mmu 
C20.H10.N11.O1.F11.S1.Cl1.Br1.		17.0	774.9487	-0.7 mmu 
C19.H14.N7.O5.F11.S1.Cl1.Br1.		12.0	774.9473	+0.7 mmu 
C16.H15.N7.O6.F12.S1.Cl1.Br1.		8.0	774.9485	-0.5 mmu 
C36.H16.N5.O5.P1.S1.Cl1.Br1.		34.0	774.9482	-0.2 mmu 
C21.H12.N17.O6.P1.S1.Cl1.Br1.		27.0	774.9487	-0.7 mmu 
C20.H16.N13.O10.P1.S1.Cl1.Br1.		22.0	774.9473	+0.7 mmu 
C23.H24.N3.O16.P1.S1.Cl1.Br1.		16.0	774.9487	-0.7 mmu 
C30.H9.N15.F1.P1.S1.Cl1.Br1.		36.0	774.9480	+0.0 mmu 
C32.H21.N1.O10.F1.P1.S1.Cl1.Br1.		25.0	774.9480	+0.0 mmu 
C17.H17.N13.O11.F1.P1.S1.Cl1.Br1.		18.0	774.9485	-0.5 mmu 
C42.H14.N3.F2.P1.S1.Cl1.Br1.		39.0	774.9486	-0.6 mmu 
C26.H14.N11.O5.F2.P1.S1.Cl1.Br1.		27.0	774.9478	+0.2 mmu 
C20.H7.N21.F3.P1.S1.Cl1.Br1.		29.0	774.9476	+0.4 mmu 
C22.H19.N7.O10.F3.P1.S1.Cl1.Br1.		18.0	774.9476	+0.4 mmu 
C32.H12.N9.F4.P1.S1.Cl1.Br1.		32.0	774.9482	-0.2 mmu 
C17.H8.N21.O1.F4.P1.S1.Cl1.Br1.		25.0	774.9487	-0.7 mmu 
C16.H12.N17.O5.F4.P1.S1.Cl1.Br1.		20.0	774.9474	+0.6 mmu 
C19.H20.N7.O11.F4.P1.S1.Cl1.Br1.		14.0	774.9487	-0.7 mmu 
C18.H24.N3.O15.F4.P1.S1.Cl1.Br1.		9.0	774.9474	+0.6 mmu 
C28.H17.N5.O5.F5.P1.S1.Cl1.Br1.		23.0	774.9480	-0.0 mmu 
C13.H13.N17.O6.F5.P1.S1.Cl1.Br1.		16.0	774.9485	-0.5 mmu 
C15.H25.N3.O16.F5.P1.S1.Cl1.Br1.		5.0	774.9485	-0.5 mmu 
C22.H10.N15.F6.P1.S1.Cl1.Br1.		25.0	774.9478	+0.2 mmu 
C24.H22.N1.O10.F6.P1.S1.Cl1.Br1.		14.0	774.9478	+0.2 mmu 
C34.H15.N3.F7.P1.S1.Cl1.Br1.		28.0	774.9484	-0.4 mmu 
C18.H15.N11.O5.F7.P1.S1.Cl1.Br1.		16.0	774.9476	+0.4 mmu 
C12.H8.N21.F8.P1.S1.Cl1.Br1.		18.0	774.9474	+0.6 mmu 
C15.H16.N11.O6.F8.P1.S1.Cl1.Br1.		12.0	774.9488	-0.8 mmu 
C14.H20.N7.O10.F8.P1.S1.Cl1.Br1.		7.0	774.9474	+0.6 mmu 
C24.H13.N9.F9.P1.S1.Cl1.Br1.		21.0	774.9480	-0.0 mmu 
C11.H21.N7.O11.F9.P1.S1.Cl1.Br1.		3.0	774.9486	-0.6 mmu 
C20.H18.N5.O5.F10.P1.S1.Cl1.Br1.		12.0	774.9478	+0.2 mmu 
C14.H11.N15.F11.P1.S1.Cl1.Br1.		14.0	774.9476	+0.4 mmu 
C16.H23.N1.O10.F11.P1.S1.Cl1.Br1.		3.0	774.9477	+0.3 mmu 
C26.H16.N3.F12.P1.S1.Cl1.Br1.		17.0	774.9483	-0.3 mmu 
C10.H16.N11.O5.F12.P1.S1.Cl1.Br1.		5.0	774.9474	+0.6 mmu 
C31.H13.N13.P2.S1.Cl1.Br1.		36.0	774.9485	-0.5 mmu 
C15.H13.N21.O5.P2.S1.Cl1.Br1.		24.0	774.9476	+0.4 mmu 
C17.H25.N7.O15.P2.S1.Cl1.Br1.		13.0	774.9476	+0.4 mmu 
C27.H18.N9.O5.F1.P2.S1.Cl1.Br1.		27.0	774.9483	-0.3 mmu 
C11.H18.N17.O10.F1.P2.S1.Cl1.Br1.		15.0	774.9474	+0.6 mmu 
C21.H11.N19.F2.P2.S1.Cl1.Br1.		29.0	774.9481	-0.1 mmu 
C23.H23.N5.O10.F2.P2.S1.Cl1.Br1.		18.0	774.9481	-0.1 mmu 
C33.H16.N7.F3.P2.S1.Cl1.Br1.		32.0	774.9487	-0.7 mmu 
C32.H20.N3.O4.F3.P2.S1.Cl1.Br1.		27.0	774.9474	+0.6 mmu 
C17.H16.N15.O5.F3.P2.S1.Cl1.Br1.		20.0	774.9479	+0.1 mmu 
C19.H28.N1.O15.F3.P2.S1.Cl1.Br1.		9.0	774.9479	+0.1 mmu 
C29.H21.N3.O5.F4.P2.S1.Cl1.Br1.		23.0	774.9485	-0.5 mmu 
C13.H21.N11.O10.F4.P2.S1.Cl1.Br1.		11.0	774.9477	+0.3 mmu 
C23.H14.N13.F5.P2.S1.Cl1.Br1.		25.0	774.9483	-0.3 mmu 
C19.H19.N9.O5.F6.P2.S1.Cl1.Br1.		16.0	774.9481	-0.1 mmu 
C13.H12.N19.F7.P2.S1.Cl1.Br1.		18.0	774.9479	+0.1 mmu 
C15.H24.N5.O10.F7.P2.S1.Cl1.Br1.		7.0	774.9479	+0.1 mmu 
C25.H17.N7.F8.P2.S1.Cl1.Br1.		21.0	774.9486	-0.6 mmu 
C9.H17.N15.O5.F8.P2.S1.Cl1.Br1.		9.0	774.9477	+0.3 mmu 
C21.H22.N3.O5.F9.P2.S1.Cl1.Br1.		12.0	774.9484	-0.4 mmu 
C15.H15.N13.F10.P2.S1.Cl1.Br1.		14.0	774.9482	-0.2 mmu 
C11.H20.N9.O5.F11.P2.S1.Cl1.Br1.		5.0	774.9480	+0.0 mmu 
C27.H26.N3.O9.P3.S1.Cl1.Br1.		22.0	774.9474	+0.6 mmu 
C12.H22.N15.O10.P3.S1.Cl1.Br1.		15.0	774.9480	+0.0 mmu 
C22.H15.N17.F1.P3.S1.Cl1.Br1.		29.0	774.9486	-0.6 mmu 
C21.H19.N13.O4.F1.P3.S1.Cl1.Br1.		24.0	774.9472	+0.8 mmu 
C24.H27.N3.O10.F1.P3.S1.Cl1.Br1.		18.0	774.9486	-0.6 mmu 
C33.H24.N1.O4.F2.P3.S1.Cl1.Br1.		27.0	774.9479	+0.1 mmu 
C18.H20.N13.O5.F2.P3.S1.Cl1.Br1.		20.0	774.9484	-0.4 mmu 
C12.H13.N23.F3.P3.S1.Cl1.Br1.		22.0	774.9482	-0.2 mmu 
C14.H25.N9.O10.F3.P3.S1.Cl1.Br1.		11.0	774.9482	-0.2 mmu 
C23.H22.N7.O4.F4.P3.S1.Cl1.Br1.		20.0	774.9475	+0.5 mmu 
C20.H23.N7.O5.F5.P3.S1.Cl1.Br1.		16.0	774.9486	-0.6 mmu 
C19.H27.N3.O9.F5.P3.S1.Cl1.Br1.		11.0	774.9473	+0.7 mmu 
C14.H16.N17.F6.P3.S1.Cl1.Br1.		18.0	774.9484	-0.4 mmu 
C16.H28.N3.O10.F6.P3.S1.Cl1.Br1.		7.0	774.9484	-0.4 mmu 
C25.H25.N1.O4.F7.P3.S1.Cl1.Br1.		16.0	774.9477	+0.3 mmu 
C10.H21.N13.O5.F7.P3.S1.Cl1.Br1.		9.0	774.9482	-0.2 mmu 
C16.H19.N11.F9.P3.S1.Cl1.Br1.		14.0	774.9487	-0.7 mmu 
C15.H23.N7.O4.F9.P3.S1.Cl1.Br1.		9.0	774.9473	+0.7 mmu 
C12.H24.N7.O5.F10.P3.S1.Cl1.Br1.		5.0	774.9485	-0.5 mmu 
C17.H26.N1.O4.F12.P3.S1.Cl1.Br1.		5.0	774.9476	+0.4 mmu 
C22.H23.N11.O4.P4.S1.Cl1.Br1.		24.0	774.9478	+0.2 mmu 
C18.H28.N7.O9.F1.P4.S1.Cl1.Br1.		15.0	774.9476	+0.4 mmu 
C13.H17.N21.F2.P4.S1.Cl1.Br1.		22.0	774.9487	-0.7 mmu 
C15.H29.N7.O10.F2.P4.S1.Cl1.Br1.		11.0	774.9487	-0.7 mmu 
C14.H33.N3.O14.F2.P4.S1.Cl1.Br1.		6.0	774.9474	+0.6 mmu 
C24.H26.N5.O4.F3.P4.S1.Cl1.Br1.		20.0	774.9480	+0.0 mmu 
C20.H31.N1.O9.F4.P4.S1.Cl1.Br1.		11.0	774.9478	+0.2 mmu 
C14.H24.N11.O4.F5.P4.S1.Cl1.Br1.		13.0	774.9476	+0.4 mmu 
C16.H27.N5.O4.F8.P4.S1.Cl1.Br1.		9.0	774.9478	+0.2 mmu 
C19.H32.N5.O9.P5.S1.Cl1.Br1.		15.0	774.9481	-0.1 mmu 
C28.H29.N3.O3.F1.P5.S1.Cl1.Br1.		24.0	774.9474	+0.6 mmu 
C25.H30.N3.O4.F2.P5.S1.Cl1.Br1.		20.0	774.9485	-0.5 mmu 
C17.H31.N3.O4.F7.P5.S1.Cl1.Br1.		9.0	774.9483	-0.3 mmu 
C29.H33.N1.O3.P6.S1.Cl1.Br1.		24.0	774.9479	+0.1 mmu 
C19.H31.N7.O3.F2.P6.S1.Cl1.Br1.		17.0	774.9475	+0.5 mmu 
C21.H34.N1.O3.F5.P6.S1.Cl1.Br1.		13.0	774.9477	+0.3 mmu 
C16.H7.N25.O3.S2.Cl1.Br1.		29.0	774.9477	+0.3 mmu 
C34.H19.N3.O8.S2.Cl1.Br1.		30.0	774.9485	-0.5 mmu 
C18.H19.N11.O13.S2.Cl1.Br1.		18.0	774.9477	+0.3 mmu 
C43.H16.N1.O2.F1.S2.Cl1.Br1.		39.0	774.9478	+0.2 mmu 
C28.H12.N13.O3.F1.S2.Cl1.Br1.		32.0	774.9483	-0.3 mmu 
C12.H12.N21.O8.F1.S2.Cl1.Br1.		20.0	774.9475	+0.5 mmu 
C24.H17.N9.O8.F2.S2.Cl1.Br1.		23.0	774.9481	-0.1 mmu 
C33.H14.N7.O2.F3.S2.Cl1.Br1.		32.0	774.9474	+0.6 mmu 
C18.H10.N19.O3.F3.S2.Cl1.Br1.		25.0	774.9479	+0.1 mmu 
C20.H22.N5.O13.F3.S2.Cl1.Br1.		14.0	774.9480	+0.0 mmu 
C30.H15.N7.O3.F4.S2.Cl1.Br1.		28.0	774.9486	-0.6 mmu 
C29.H19.N3.O7.F4.S2.Cl1.Br1.		23.0	774.9472	+0.8 mmu 
C14.H15.N15.O8.F4.S2.Cl1.Br1.		16.0	774.9477	+0.3 mmu 
C16.H27.N1.O18.F4.S2.Cl1.Br1.		5.0	774.9478	+0.2 mmu 
C26.H20.N3.O8.F5.S2.Cl1.Br1.		19.0	774.9484	-0.4 mmu 
C35.H17.N1.O2.F6.S2.Cl1.Br1.		28.0	774.9477	+0.3 mmu 
C20.H13.N13.O3.F6.S2.Cl1.Br1.		21.0	774.9482	-0.2 mmu 
C16.H18.N9.O8.F7.S2.Cl1.Br1.		12.0	774.9480	+0.0 mmu 
C25.H15.N7.O2.F8.S2.Cl1.Br1.		21.0	774.9473	+0.7 mmu 
C10.H11.N19.O3.F8.S2.Cl1.Br1.		14.0	774.9478	+0.2 mmu 
C12.H23.N5.O13.F8.S2.Cl1.Br1.		3.0	774.9478	+0.2 mmu 
C22.H16.N7.O3.F9.S2.Cl1.Br1.		17.0	774.9484	-0.4 mmu 
C18.H21.N3.O8.F10.S2.Cl1.Br1.		8.0	774.9482	-0.2 mmu 
C27.H18.N1.O2.F11.S2.Cl1.Br1.		17.0	774.9475	+0.5 mmu 
C12.H14.N13.O3.F11.S2.Cl1.Br1.		10.0	774.9480	-0.0 mmu 
C24.H19.N1.O3.F12.S2.Cl1.Br1.		13.0	774.9487	-0.7 mmu 
C8.H19.N9.O8.F12.S2.Cl1.Br1.		1.0	774.9478	+0.2 mmu 
C28.H20.N7.O7.P1.S2.Cl1.Br1.		27.0	774.9475	+0.5 mmu 
C13.H16.N19.O8.P1.S2.Cl1.Br1.		20.0	774.9480	-0.0 mmu 
C15.H28.N5.O18.P1.S2.Cl1.Br1.		9.0	774.9480	-0.0 mmu 
C22.H13.N17.O2.F1.P1.S2.Cl1.Br1.		29.0	774.9473	+0.7 mmu 
C25.H21.N7.O8.F1.P1.S2.Cl1.Br1.		23.0	774.9487	-0.7 mmu 
C24.H25.N3.O12.F1.P1.S2.Cl1.Br1.		18.0	774.9473	+0.7 mmu 
C34.H18.N5.O2.F2.P1.S2.Cl1.Br1.		32.0	774.9479	+0.1 mmu 
C19.H14.N17.O3.F2.P1.S2.Cl1.Br1.		25.0	774.9485	-0.5 mmu 
C21.H26.N3.O13.F2.P1.S2.Cl1.Br1.		14.0	774.9485	-0.5 mmu 
C30.H23.N1.O7.F3.P1.S2.Cl1.Br1.		23.0	774.9478	+0.2 mmu 
C15.H19.N13.O8.F3.P1.S2.Cl1.Br1.		16.0	774.9483	-0.3 mmu 
C24.H16.N11.O2.F4.P1.S2.Cl1.Br1.		25.0	774.9475	+0.5 mmu 
C11.H24.N9.O13.F4.P1.S2.Cl1.Br1.		7.0	774.9481	-0.1 mmu 
C21.H17.N11.O3.F5.P1.S2.Cl1.Br1.		21.0	774.9487	-0.7 mmu 
C20.H21.N7.O7.F5.P1.S2.Cl1.Br1.		16.0	774.9474	+0.6 mmu 
C17.H22.N7.O8.F6.P1.S2.Cl1.Br1.		12.0	774.9485	-0.5 mmu 
C26.H19.N5.O2.F7.P1.S2.Cl1.Br1.		21.0	774.9478	+0.2 mmu 
C11.H15.N17.O3.F7.P1.S2.Cl1.Br1.		14.0	774.9483	-0.3 mmu 
C13.H27.N3.O13.F7.P1.S2.Cl1.Br1.		3.0	774.9483	-0.3 mmu 
C22.H24.N1.O7.F8.P1.S2.Cl1.Br1.		12.0	774.9476	+0.4 mmu 
C7.H20.N13.O8.F8.P1.S2.Cl1.Br1.		5.0	774.9481	-0.1 mmu 
C16.H17.N11.O2.F9.P1.S2.Cl1.Br1.		14.0	774.9474	+0.6 mmu 
C19.H25.N1.O8.F9.P1.S2.Cl1.Br1.		8.0	774.9487	-0.7 mmu 
C13.H18.N11.O3.F10.P1.S2.Cl1.Br1.		10.0	774.9485	-0.5 mmu 
C9.H23.N7.O8.F11.P1.S2.Cl1.Br1.		1.0	774.9483	-0.3 mmu 
C18.H20.N5.O2.F12.P1.S2.Cl1.Br1.		10.0	774.9476	+0.4 mmu 
C38.H21.N3.O1.P2.S2.Cl1.Br1.		36.0	774.9473	+0.7 mmu 
C23.H17.N15.O2.P2.S2.Cl1.Br1.		29.0	774.9478	+0.2 mmu 
C25.H29.N1.O12.P2.S2.Cl1.Br1.		18.0	774.9478	+0.2 mmu 
C35.H22.N3.O2.F1.P2.S2.Cl1.Br1.		32.0	774.9485	-0.5 mmu 
C19.H22.N11.O7.F1.P2.S2.Cl1.Br1.		20.0	774.9476	+0.4 mmu 
C13.H15.N21.O2.F2.P2.S2.Cl1.Br1.		22.0	774.9474	+0.6 mmu 
C16.H23.N11.O8.F2.P2.S2.Cl1.Br1.		16.0	774.9488	-0.8 mmu 
C15.H27.N7.O12.F2.P2.S2.Cl1.Br1.		11.0	774.9474	+0.6 mmu 
C25.H20.N9.O2.F3.P2.S2.Cl1.Br1.		25.0	774.9481	-0.1 mmu 
C9.H20.N17.O7.F3.P2.S2.Cl1.Br1.		13.0	774.9472	+0.8 mmu 
C12.H28.N7.O13.F3.P2.S2.Cl1.Br1.		7.0	774.9486	-0.6 mmu 
C21.H25.N5.O7.F4.P2.S2.Cl1.Br1.		16.0	774.9479	+0.1 mmu 
C15.H18.N15.O2.F5.P2.S2.Cl1.Br1.		18.0	774.9477	+0.3 mmu 
C17.H30.N1.O12.F5.P2.S2.Cl1.Br1.		7.0	774.9477	+0.3 mmu 
C27.H23.N3.O2.F6.P2.S2.Cl1.Br1.		21.0	774.9483	-0.3 mmu 
C11.H23.N11.O7.F6.P2.S2.Cl1.Br1.		9.0	774.9475	+0.5 mmu 
C8.H24.N11.O8.F7.P2.S2.Cl1.Br1.		5.0	774.9486	-0.6 mmu 
C17.H21.N9.O2.F8.P2.S2.Cl1.Br1.		14.0	774.9479	+0.1 mmu 
C13.H26.N5.O7.F9.P2.S2.Cl1.Br1.		5.0	774.9477	+0.3 mmu 
C19.H24.N3.O2.F11.P2.S2.Cl1.Br1.		10.0	774.9481	-0.1 mmu 
C20.H26.N9.O7.P3.S2.Cl1.Br1.		20.0	774.9481	-0.1 mmu 
C29.H23.N7.O1.F1.P3.S2.Cl1.Br1.		29.0	774.9474	+0.6 mmu 
C14.H19.N19.O2.F1.P3.S2.Cl1.Br1.		22.0	774.9479	+0.1 mmu 
C16.H31.N5.O12.F1.P3.S2.Cl1.Br1.		11.0	774.9479	+0.1 mmu 
C26.H24.N7.O2.F2.P3.S2.Cl1.Br1.		25.0	774.9486	-0.6 mmu 
C25.H28.N3.O6.F2.P3.S2.Cl1.Br1.		20.0	774.9472	+0.8 mmu 
C10.H24.N15.O7.F2.P3.S2.Cl1.Br1.		13.0	774.9477	+0.3 mmu 
C22.H29.N3.O7.F3.P3.S2.Cl1.Br1.		16.0	774.9484	-0.4 mmu 
C31.H26.N1.O1.F4.P3.S2.Cl1.Br1.		25.0	774.9477	+0.3 mmu 
C16.H22.N13.O2.F4.P3.S2.Cl1.Br1.		18.0	774.9482	-0.2 mmu 
C12.H27.N9.O7.F5.P3.S2.Cl1.Br1.		9.0	774.9480	+0.0 mmu 
C21.H24.N7.O1.F6.P3.S2.Cl1.Br1.		18.0	774.9473	+0.7 mmu 
C18.H25.N7.O2.F7.P3.S2.Cl1.Br1.		14.0	774.9484	-0.4 mmu 
C14.H30.N3.O7.F8.P3.S2.Cl1.Br1.		5.0	774.9482	-0.2 mmu 
C23.H27.N1.O1.F9.P3.S2.Cl1.Br1.		14.0	774.9475	+0.5 mmu 
C20.H28.N1.O2.F10.P3.S2.Cl1.Br1.		10.0	774.9487	-0.7 mmu 
C10.H26.N7.O2.F12.P3.S2.Cl1.Br1.		3.0	774.9483	-0.3 mmu 
C30.H27.N5.O1.P4.S2.Cl1.Br1.		29.0	774.9479	+0.1 mmu 
C15.H23.N17.O2.P4.S2.Cl1.Br1.		22.0	774.9484	-0.4 mmu 
C17.H35.N3.O12.P4.S2.Cl1.Br1.		11.0	774.9485	-0.5 mmu 
C26.H32.N1.O6.F1.P4.S2.Cl1.Br1.		20.0	774.9477	+0.3 mmu 
C20.H25.N11.O1.F2.P4.S2.Cl1.Br1.		22.0	774.9475	+0.5 mmu 
C17.H26.N11.O2.F3.P4.S2.Cl1.Br1.		18.0	774.9487	-0.7 mmu 
C16.H30.N7.O6.F3.P4.S2.Cl1.Br1.		13.0	774.9473	+0.7 mmu 
C13.H31.N7.O7.F4.P4.S2.Cl1.Br1.		9.0	774.9485	-0.5 mmu 
C22.H28.N5.O1.F5.P4.S2.Cl1.Br1.		18.0	774.9478	+0.2 mmu 
C18.H33.N1.O6.F6.P4.S2.Cl1.Br1.		9.0	774.9476	+0.4 mmu 
C15.H34.N1.O7.F7.P4.S2.Cl1.Br1.		5.0	774.9487	-0.7 mmu 
C14.H29.N5.O1.F10.P4.S2.Cl1.Br1.		7.0	774.9476	+0.4 mmu 
C21.H29.N9.O1.F1.P5.S2.Cl1.Br1.		22.0	774.9480	-0.0 mmu 
C17.H34.N5.O6.F2.P5.S2.Cl1.Br1.		13.0	774.9479	+0.1 mmu 
C23.H32.N3.O1.F4.P5.S2.Cl1.Br1.		18.0	774.9483	-0.3 mmu 
C22.H33.N7.O1.P6.S2.Cl1.Br1.		22.0	774.9486	-0.6 mmu 
C27.H35.N1.F2.P6.S2.Cl1.Br1.		22.0	774.9477	+0.3 mmu 
C19.H36.N1.F7.P6.S2.Cl1.Br1.		11.0	774.9475	+0.5 mmu 
C24.H11.N19.S3.Cl1.Br1.		34.0	774.9479	+0.1 mmu 
C26.H23.N5.O10.S3.Cl1.Br1.		23.0	774.9479	+0.1 mmu 
C11.H19.N17.O11.S3.Cl1.Br1.		16.0	774.9484	-0.4 mmu 
C36.H16.N7.F1.S3.Cl1.Br1.		37.0	774.9485	-0.5 mmu 
C20.H16.N15.O5.F1.S3.Cl1.Br1.		25.0	774.9477	+0.3 mmu 
C22.H28.N1.O15.F1.S3.Cl1.Br1.		14.0	774.9477	+0.3 mmu 
C14.H9.N25.F2.S3.Cl1.Br1.		27.0	774.9475	+0.5 mmu 
C32.H21.N3.O5.F2.S3.Cl1.Br1.		28.0	774.9483	-0.3 mmu 
C16.H21.N11.O10.F2.S3.Cl1.Br1.		16.0	774.9475	+0.5 mmu 
C26.H14.N13.F3.S3.Cl1.Br1.		30.0	774.9481	-0.1 mmu 
C13.H22.N11.O11.F3.S3.Cl1.Br1.		12.0	774.9486	-0.6 mmu 
C38.H19.N1.F4.S3.Cl1.Br1.		33.0	774.9488	-0.8 mmu 
C22.H19.N9.O5.F4.S3.Cl1.Br1.		21.0	774.9479	+0.1 mmu 
C16.H12.N19.F5.S3.Cl1.Br1.		23.0	774.9477	+0.3 mmu 
C18.H24.N5.O10.F5.S3.Cl1.Br1.		12.0	774.9477	+0.3 mmu 
C28.H17.N7.F6.S3.Cl1.Br1.		26.0	774.9484	-0.4 mmu 
C12.H17.N15.O5.F6.S3.Cl1.Br1.		14.0	774.9475	+0.5 mmu 
C14.H29.N1.O15.F6.S3.Cl1.Br1.		3.0	774.9475	+0.5 mmu 
C24.H22.N3.O5.F7.S3.Cl1.Br1.		17.0	774.9482	-0.2 mmu 
C9.H18.N15.O6.F7.S3.Cl1.Br1.		10.0	774.9487	-0.7 mmu 
C18.H15.N13.F8.S3.Cl1.Br1.		19.0	774.9480	+0.0 mmu 
C30.H20.N1.F9.S3.Cl1.Br1.		22.0	774.9486	-0.6 mmu 
C14.H20.N9.O5.F9.S3.Cl1.Br1.		10.0	774.9478	+0.2 mmu 
C10.H25.N5.O10.F10.S3.Cl1.Br1.		1.0	774.9476	+0.4 mmu 
C20.H18.N7.F11.S3.Cl1.Br1.		15.0	774.9482	-0.2 mmu 
C16.H23.N3.O5.F12.S3.Cl1.Br1.		6.0	774.9480	-0.0 mmu 
C36.H24.N1.O4.P1.S3.Cl1.Br1.		32.0	774.9477	+0.3 mmu 
C21.H20.N13.O5.P1.S3.Cl1.Br1.		25.0	774.9482	-0.2 mmu 
C15.H13.N23.F1.P1.S3.Cl1.Br1.		27.0	774.9480	+0.0 mmu 
C17.H25.N9.O10.F1.P1.S3.Cl1.Br1.		16.0	774.9480	-0.0 mmu 
C27.H18.N11.F2.P1.S3.Cl1.Br1.		30.0	774.9486	-0.6 mmu 
C26.H22.N7.O4.F2.P1.S3.Cl1.Br1.		25.0	774.9473	+0.7 mmu 
C11.H18.N19.O5.F2.P1.S3.Cl1.Br1.		18.0	774.9478	+0.2 mmu 
C13.H30.N5.O15.F2.P1.S3.Cl1.Br1.		7.0	774.9478	+0.2 mmu 
C23.H23.N7.O5.F3.P1.S3.Cl1.Br1.		21.0	774.9484	-0.4 mmu 
C17.H16.N17.F4.P1.S3.Cl1.Br1.		23.0	774.9482	-0.2 mmu 
C19.H28.N3.O10.F4.P1.S3.Cl1.Br1.		12.0	774.9482	-0.2 mmu 
C28.H25.N1.O4.F5.P1.S3.Cl1.Br1.		21.0	774.9475	+0.5 mmu 
C13.H21.N13.O5.F5.P1.S3.Cl1.Br1.		14.0	774.9480	-0.0 mmu 
C25.H26.N1.O5.F6.P1.S3.Cl1.Br1.		17.0	774.9487	-0.7 mmu 
C9.H26.N9.O10.F6.P1.S3.Cl1.Br1.		5.0	774.9478	+0.2 mmu 
C19.H19.N11.F7.P1.S3.Cl1.Br1.		19.0	774.9485	-0.5 mmu 
C15.H24.N7.O5.F8.P1.S3.Cl1.Br1.		10.0	774.9483	-0.3 mmu 
C9.H17.N17.F9.P1.S3.Cl1.Br1.		12.0	774.9481	-0.1 mmu 
C11.H29.N3.O10.F9.P1.S3.Cl1.Br1.		1.0	774.9481	-0.1 mmu 
C21.H22.N5.F10.P1.S3.Cl1.Br1.		15.0	774.9487	-0.7 mmu 
C20.H26.N1.O4.F10.P1.S3.Cl1.Br1.		10.0	774.9474	+0.6 mmu 
C17.H27.N1.O5.F11.P1.S3.Cl1.Br1.		6.0	774.9485	-0.5 mmu 
C11.H20.N11.F12.P1.S3.Cl1.Br1.		8.0	774.9483	-0.3 mmu 
C16.H17.N21.P2.S3.Cl1.Br1.		27.0	774.9485	-0.5 mmu 
C18.H29.N7.O10.P2.S3.Cl1.Br1.		16.0	774.9485	-0.5 mmu 
C27.H26.N5.O4.F1.P2.S3.Cl1.Br1.		25.0	774.9478	+0.2 mmu 
C12.H22.N17.O5.F1.P2.S3.Cl1.Br1.		18.0	774.9483	-0.3 mmu 
C14.H34.N3.O15.F1.P2.S3.Cl1.Br1.		7.0	774.9483	-0.3 mmu 
C23.H31.N1.O9.F2.P2.S3.Cl1.Br1.		16.0	774.9476	+0.4 mmu 
C18.H20.N15.F3.P2.S3.Cl1.Br1.		23.0	774.9487	-0.7 mmu 
C17.H24.N11.O4.F3.P2.S3.Cl1.Br1.		18.0	774.9474	+0.6 mmu 
C20.H32.N1.O10.F3.P2.S3.Cl1.Br1.		12.0	774.9488	-0.8 mmu 
C14.H25.N11.O5.F4.P2.S3.Cl1.Br1.		14.0	774.9486	-0.6 mmu 
C10.H30.N7.O10.F5.P2.S3.Cl1.Br1.		5.0	774.9484	-0.4 mmu 
C19.H27.N5.O4.F6.P2.S3.Cl1.Br1.		14.0	774.9476	+0.4 mmu 
C15.H32.N1.O9.F7.P2.S3.Cl1.Br1.		5.0	774.9475	+0.5 mmu 
C10.H21.N15.F8.P2.S3.Cl1.Br1.		12.0	774.9486	-0.6 mmu 
C9.H25.N11.O4.F8.P2.S3.Cl1.Br1.		7.0	774.9472	+0.8 mmu 
C12.H33.N1.O10.F8.P2.S3.Cl1.Br1.		1.0	774.9486	-0.6 mmu 
C11.H28.N5.O4.F11.P2.S3.Cl1.Br1.		3.0	774.9475	+0.5 mmu 
C28.H30.N3.O4.P3.S3.Cl1.Br1.		25.0	774.9483	-0.3 mmu 
C12.H30.N11.O9.P3.S3.Cl1.Br1.		13.0	774.9475	+0.5 mmu 
C18.H28.N9.O4.F2.P3.S3.Cl1.Br1.		18.0	774.9479	+0.1 mmu 
C14.H33.N5.O9.F3.P3.S3.Cl1.Br1.		9.0	774.9477	+0.3 mmu 
C20.H31.N3.O4.F5.P3.S3.Cl1.Br1.		14.0	774.9482	-0.2 mmu 
C10.H29.N9.O4.F7.P3.S3.Cl1.Br1.		7.0	774.9478	+0.2 mmu 
C12.H32.N3.O4.F10.P3.S3.Cl1.Br1.		3.0	774.9480	-0.0 mmu 
C22.H31.N7.O3.P4.S3.Cl1.Br1.		22.0	774.9473	+0.7 mmu 
C19.H32.N7.O4.F1.P4.S3.Cl1.Br1.		18.0	774.9484	-0.4 mmu 
C15.H37.N3.O9.F2.P4.S3.Cl1.Br1.		9.0	774.9482	-0.2 mmu 
C24.H34.N1.O3.F3.P4.S3.Cl1.Br1.		18.0	774.9475	+0.5 mmu 
C21.H35.N1.O4.F4.P4.S3.Cl1.Br1.		14.0	774.9487	-0.7 mmu 
C16.H35.N1.O3.F8.P4.S3.Cl1.Br1.		7.0	774.9474	+0.6 mmu 
C13.H36.N1.O4.F9.P4.S3.Cl1.Br1.		3.0	774.9485	-0.5 mmu 
C19.H40.N1.O8.P5.S3.Cl1.Br1.		13.0	774.9476	+0.4 mmu 
C16.H41.N1.O9.F1.P5.S3.Cl1.Br1.		9.0	774.9487	-0.7 mmu 
C16.H15.N21.O2.S4.Cl1.Br1.		27.0	774.9472	+0.8 mmu 
C19.H23.N11.O8.S4.Cl1.Br1.		21.0	774.9486	-0.6 mmu 
C18.H27.N7.O12.S4.Cl1.Br1.		16.0	774.9472	+0.8 mmu 
C28.H20.N9.O2.F1.S4.Cl1.Br1.		30.0	774.9479	+0.1 mmu 
C13.H16.N21.O3.F1.S4.Cl1.Br1.		23.0	774.9484	-0.4 mmu 
C15.H28.N7.O13.F1.S4.Cl1.Br1.		12.0	774.9484	-0.4 mmu 
C24.H25.N5.O7.F2.S4.Cl1.Br1.		21.0	774.9477	+0.3 mmu 
C9.H21.N17.O8.F2.S4.Cl1.Br1.		14.0	774.9482	-0.2 mmu 
C18.H18.N15.O2.F3.S4.Cl1.Br1.		23.0	774.9475	+0.5 mmu 
C20.H30.N1.O12.F3.S4.Cl1.Br1.		12.0	774.9475	+0.5 mmu 
C30.H23.N3.O2.F4.S4.Cl1.Br1.		26.0	774.9481	-0.1 mmu 
C15.H19.N15.O3.F4.S4.Cl1.Br1.		19.0	774.9486	-0.6 mmu 
C14.H23.N11.O7.F4.S4.Cl1.Br1.		14.0	774.9473	+0.7 mmu 
C17.H31.N1.O13.F4.S4.Cl1.Br1.		8.0	774.9486	-0.6 mmu 
C11.H24.N11.O8.F5.S4.Cl1.Br1.		10.0	774.9484	-0.4 mmu 
C20.H21.N9.O2.F6.S4.Cl1.Br1.		19.0	774.9477	+0.3 mmu 
C16.H26.N5.O7.F7.S4.Cl1.Br1.		10.0	774.9475	+0.5 mmu 
C10.H19.N15.O2.F8.S4.Cl1.Br1.		12.0	774.9473	+0.7 mmu 
C13.H27.N5.O8.F8.S4.Cl1.Br1.		6.0	774.9487	-0.7 mmu 
C12.H31.N1.O12.F8.S4.Cl1.Br1.		1.0	774.9473	+0.7 mmu 
C22.H24.N3.O2.F9.S4.Cl1.Br1.		15.0	774.9480	+0.0 mmu 
C12.H22.N9.O2.F11.S4.Cl1.Br1.		8.0	774.9476	+0.4 mmu 
C9.H23.N9.O3.F12.S4.Cl1.Br1.		4.0	774.9487	-0.7 mmu 
C29.H24.N7.O2.P1.S4.Cl1.Br1.		30.0	774.9484	-0.4 mmu 
C13.H24.N15.O7.P1.S4.Cl1.Br1.		18.0	774.9475	+0.5 mmu 
C15.H36.N1.O17.P1.S4.Cl1.Br1.		7.0	774.9476	+0.4 mmu 
C25.H29.N3.O7.F1.P1.S4.Cl1.Br1.		21.0	774.9482	-0.2 mmu 
C10.H25.N15.O8.F1.P1.S4.Cl1.Br1.		14.0	774.9487	-0.7 mmu 
C34.H26.N1.O1.F2.P1.S4.Cl1.Br1.		30.0	774.9475	+0.5 mmu 
C19.H22.N13.O2.F2.P1.S4.Cl1.Br1.		23.0	774.9480	+0.0 mmu 
C31.H27.N1.O2.F3.P1.S4.Cl1.Br1.		26.0	774.9486	-0.6 mmu 
C15.H27.N9.O7.F3.P1.S4.Cl1.Br1.		14.0	774.9478	+0.2 mmu 
C11.H32.N5.O12.F4.P1.S4.Cl1.Br1.		5.0	774.9476	+0.4 mmu 
C21.H25.N7.O2.F5.P1.S4.Cl1.Br1.		19.0	774.9482	-0.2 mmu 
C17.H30.N3.O7.F6.P1.S4.Cl1.Br1.		10.0	774.9480	-0.0 mmu 
C26.H27.N1.O1.F7.P1.S4.Cl1.Br1.		19.0	774.9473	+0.7 mmu 
C11.H23.N13.O2.F7.P1.S4.Cl1.Br1.		12.0	774.9478	+0.2 mmu 
C23.H28.N1.O2.F8.P1.S4.Cl1.Br1.		15.0	774.9485	-0.5 mmu 
C13.H26.N7.O2.F10.P1.S4.Cl1.Br1.		8.0	774.9481	-0.1 mmu 
C23.H25.N11.O1.P2.S4.Cl1.Br1.		27.0	774.9474	+0.6 mmu 
C26.H33.N1.O7.P2.S4.Cl1.Br1.		21.0	774.9487	-0.7 mmu 
C20.H26.N11.O2.F1.P2.S4.Cl1.Br1.		23.0	774.9485	-0.5 mmu 
C16.H31.N7.O7.F2.P2.S4.Cl1.Br1.		14.0	774.9483	-0.3 mmu 
C25.H28.N5.O1.F3.P2.S4.Cl1.Br1.		23.0	774.9476	+0.4 mmu 
C10.H24.N17.O2.F3.P2.S4.Cl1.Br1.		16.0	774.9481	-0.1 mmu 
C12.H36.N3.O12.F3.P2.S4.Cl1.Br1.		5.0	774.9481	-0.1 mmu 
C22.H29.N5.O2.F4.P2.S4.Cl1.Br1.		19.0	774.9487	-0.7 mmu 
C21.H33.N1.O6.F4.P2.S4.Cl1.Br1.		14.0	774.9474	+0.6 mmu 
C18.H34.N1.O7.F5.P2.S4.Cl1.Br1.		10.0	774.9485	-0.5 mmu 
C12.H27.N11.O2.F6.P2.S4.Cl1.Br1.		12.0	774.9483	-0.3 mmu 
C17.H29.N5.O1.F8.P2.S4.Cl1.Br1.		12.0	774.9474	+0.6 mmu 
C14.H30.N5.O2.F9.P2.S4.Cl1.Br1.		8.0	774.9486	-0.6 mmu 
C13.H34.N1.O6.F9.P2.S4.Cl1.Br1.		3.0	774.9472	+0.8 mmu 
C20.H34.N5.O6.P3.S4.Cl1.Br1.		18.0	774.9477	+0.3 mmu 
C14.H27.N15.O1.F1.P3.S4.Cl1.Br1.		20.0	774.9475	+0.5 mmu 
C16.H39.N1.O11.F1.P3.S4.Cl1.Br1.		9.0	774.9475	+0.5 mmu 
C26.H32.N3.O1.F2.P3.S4.Cl1.Br1.		23.0	774.9481	-0.1 mmu 
C11.H28.N15.O2.F2.P3.S4.Cl1.Br1.		16.0	774.9486	-0.6 mmu 
C16.H30.N9.O1.F4.P3.S4.Cl1.Br1.		16.0	774.9477	+0.3 mmu 
C12.H35.N5.O6.F5.P3.S4.Cl1.Br1.		7.0	774.9475	+0.5 mmu 
C18.H33.N3.O1.F7.P3.S4.Cl1.Br1.		12.0	774.9479	+0.1 mmu 
C30.H35.N1.P4.S4.Cl1.Br1.		27.0	774.9475	+0.5 mmu 
C27.H36.N1.O1.F1.P4.S4.Cl1.Br1.		23.0	774.9486	-0.6 mmu 
C13.H39.N3.O6.F4.P4.S4.Cl1.Br1.		7.0	774.9480	-0.0 mmu 
C22.H36.N1.F5.P4.S4.Cl1.Br1.		16.0	774.9473	+0.7 mmu 
C19.H37.N1.O1.F6.P4.S4.Cl1.Br1.		12.0	774.9485	-0.5 mmu 
C17.H42.N1.O5.F2.P5.S4.Cl1.Br1.		11.0	774.9474	+0.6 mmu 
C22.H41.N3.P6.S4.Cl1.Br1.		20.0	774.9481	-0.1 mmu 
C27.H27.N5.O5.S5.Cl1.Br1.		26.0	774.9488	-0.8 mmu 
C26.H31.N1.O9.S5.Cl1.Br1.		21.0	774.9474	+0.6 mmu 
C11.H27.N13.O10.S5.Cl1.Br1.		14.0	774.9479	+0.1 mmu 
C21.H20.N15.F1.S5.Cl1.Br1.		28.0	774.9486	-0.6 mmu 
C23.H32.N1.O10.F1.S5.Cl1.Br1.		17.0	774.9486	-0.6 mmu 
C17.H25.N11.O5.F2.S5.Cl1.Br1.		19.0	774.9484	-0.4 mmu 
C11.H18.N21.F3.S5.Cl1.Br1.		21.0	774.9482	-0.2 mmu 
C13.H30.N7.O10.F3.S5.Cl1.Br1.		10.0	774.9482	-0.2 mmu 
C22.H27.N5.O4.F4.S5.Cl1.Br1.		19.0	774.9475	+0.5 mmu 
C19.H28.N5.O5.F5.S5.Cl1.Br1.		15.0	774.9486	-0.6 mmu 
C18.H32.N1.O9.F5.S5.Cl1.Br1.		10.0	774.9473	+0.7 mmu 
C13.H21.N15.F6.S5.Cl1.Br1.		17.0	774.9484	-0.4 mmu 
C15.H33.N1.O10.F6.S5.Cl1.Br1.		6.0	774.9484	-0.4 mmu 
C9.H26.N11.O5.F7.S5.Cl1.Br1.		8.0	774.9482	-0.2 mmu 
C15.H24.N9.F9.S5.Cl1.Br1.		13.0	774.9486	-0.6 mmu 
C14.H28.N5.O4.F9.S5.Cl1.Br1.		8.0	774.9473	+0.7 mmu 
C11.H29.N5.O5.F10.S5.Cl1.Br1.		4.0	774.9484	-0.4 mmu 
C21.H28.N9.O4.P1.S5.Cl1.Br1.		23.0	774.9477	+0.3 mmu 
C17.H33.N5.O9.F1.P1.S5.Cl1.Br1.		14.0	774.9475	+0.5 mmu 
C12.H22.N19.F2.P1.S5.Cl1.Br1.		21.0	774.9487	-0.7 mmu 
C11.H26.N15.O4.F2.P1.S5.Cl1.Br1.		16.0	774.9473	+0.7 mmu 
C14.H34.N5.O10.F2.P1.S5.Cl1.Br1.		10.0	774.9487	-0.7 mmu 
C13.H38.N1.O14.F2.P1.S5.Cl1.Br1.		5.0	774.9473	+0.7 mmu 
C23.H31.N3.O4.F3.P1.S5.Cl1.Br1.		19.0	774.9480	+0.0 mmu 
C13.H29.N9.O4.F5.P1.S5.Cl1.Br1.		12.0	774.9476	+0.4 mmu 
C10.H30.N9.O5.F6.P1.S5.Cl1.Br1.		8.0	774.9487	-0.7 mmu 
C15.H32.N3.O4.F8.P1.S5.Cl1.Br1.		8.0	774.9478	+0.2 mmu 
C18.H37.N3.O9.P2.S5.Cl1.Br1.		14.0	774.9480	-0.0 mmu 
C27.H34.N1.O3.F1.P2.S5.Cl1.Br1.		23.0	774.9473	+0.7 mmu 
C12.H30.N13.O4.F1.P2.S5.Cl1.Br1.		16.0	774.9478	+0.2 mmu 
C24.H35.N1.O4.F2.P2.S5.Cl1.Br1.		19.0	774.9485	-0.5 mmu 
C14.H33.N7.O4.F4.P2.S5.Cl1.Br1.		12.0	774.9481	-0.1 mmu 
C16.H36.N1.O4.F7.P2.S5.Cl1.Br1.		8.0	774.9483	-0.3 mmu 
C13.H34.N11.O4.P3.S5.Cl1.Br1.		16.0	774.9484	-0.4 mmu 
C18.H36.N5.O3.F2.P3.S5.Cl1.Br1.		16.0	774.9474	+0.6 mmu 
C15.H37.N5.O4.F3.P3.S5.Cl1.Br1.		12.0	774.9486	-0.6 mmu 
C14.H41.N1.O8.F3.P3.S5.Cl1.Br1.		7.0	774.9473	+0.7 mmu 
C19.H40.N3.O3.F1.P4.S5.Cl1.Br1.		16.0	774.9480	+0.0 mmu 
C20.H44.N1.O3.P5.S5.Cl1.Br1.		16.0	774.9485	-0.5 mmu 
C19.H31.N7.O7.S6.Cl1.Br1.		19.0	774.9481	-0.1 mmu 
C28.H28.N5.O1.F1.S6.Cl1.Br1.		28.0	774.9474	+0.6 mmu 
C13.H24.N17.O2.F1.S6.Cl1.Br1.		21.0	774.9479	+0.1 mmu 
C15.H36.N3.O12.F1.S6.Cl1.Br1.		10.0	774.9479	+0.1 mmu 
C25.H29.N5.O2.F2.S6.Cl1.Br1.		24.0	774.9485	-0.5 mmu 
C21.H34.N1.O7.F3.S6.Cl1.Br1.		15.0	774.9484	-0.4 mmu 
C15.H27.N11.O2.F4.S6.Cl1.Br1.		17.0	774.9481	-0.1 mmu 
C11.H32.N7.O7.F5.S6.Cl1.Br1.		8.0	774.9480	+0.0 mmu 
C20.H29.N5.O1.F6.S6.Cl1.Br1.		17.0	774.9472	+0.8 mmu 
C17.H30.N5.O2.F7.S6.Cl1.Br1.		13.0	774.9484	-0.4 mmu 
C13.H35.N1.O7.F8.S6.Cl1.Br1.		4.0	774.9482	-0.2 mmu 
C29.H32.N3.O1.P1.S6.Cl1.Br1.		28.0	774.9479	+0.1 mmu 
C14.H28.N15.O2.P1.S6.Cl1.Br1.		21.0	774.9484	-0.4 mmu 
C16.H40.N1.O12.P1.S6.Cl1.Br1.		10.0	774.9484	-0.4 mmu 
C19.H30.N9.O1.F2.P1.S6.Cl1.Br1.		21.0	774.9475	+0.5 mmu 
C16.H31.N9.O2.F3.P1.S6.Cl1.Br1.		17.0	774.9487	-0.7 mmu 
C15.H35.N5.O6.F3.P1.S6.Cl1.Br1.		12.0	774.9473	+0.7 mmu 
C12.H36.N5.O7.F4.P1.S6.Cl1.Br1.		8.0	774.9485	-0.5 mmu 
C21.H33.N3.O1.F5.P1.S6.Cl1.Br1.		17.0	774.9478	+0.2 mmu 
C11.H31.N9.O1.F7.P1.S6.Cl1.Br1.		10.0	774.9474	+0.6 mmu 
C13.H34.N3.O1.F10.P1.S6.Cl1.Br1.		6.0	774.9476	+0.4 mmu 
C20.H34.N7.O1.F1.P2.S6.Cl1.Br1.		21.0	774.9480	-0.0 mmu 
C16.H39.N3.O6.F2.P2.S6.Cl1.Br1.		12.0	774.9478	+0.2 mmu 
C22.H37.N1.O1.F4.P2.S6.Cl1.Br1.		17.0	774.9483	-0.3 mmu 
C12.H35.N7.O1.F6.P2.S6.Cl1.Br1.		10.0	774.9479	+0.1 mmu 
C14.H38.N1.O1.F9.P2.S6.Cl1.Br1.		6.0	774.9481	-0.1 mmu 
C21.H38.N5.O1.P3.S6.Cl1.Br1.		21.0	774.9485	-0.5 mmu 
C17.H43.N1.O6.F1.P3.S6.Cl1.Br1.		12.0	774.9483	-0.3 mmu 
C16.H38.N5.F4.P3.S6.Cl1.Br1.		14.0	774.9472	+0.8 mmu 
C13.H39.N5.O1.F5.P3.S6.Cl1.Br1.		10.0	774.9484	-0.4 mmu 
C17.H42.N3.F3.P4.S6.Cl1.Br1.		14.0	774.9477	+0.3 mmu 
C18.H46.N1.F2.P5.S6.Cl1.Br1.		14.0	774.9483	-0.3 mmu 
C27.H35.N1.O4.S7.Cl1.Br1.		24.0	774.9483	-0.3 mmu 
C17.H33.N7.O4.F2.S7.Cl1.Br1.		17.0	774.9479	+0.1 mmu 
C13.H38.N3.O9.F3.S7.Cl1.Br1.		8.0	774.9477	+0.3 mmu 
C19.H36.N1.O4.F5.S7.Cl1.Br1.		13.0	774.9481	-0.1 mmu 
C21.H36.N5.O3.P1.S7.Cl1.Br1.		21.0	774.9473	+0.7 mmu 
C18.H37.N5.O4.F1.P1.S7.Cl1.Br1.		17.0	774.9484	-0.4 mmu 
C14.H42.N1.O9.F2.P1.S7.Cl1.Br1.		8.0	774.9482	-0.2 mmu 
C14.H41.N3.O3.F4.P2.S7.Cl1.Br1.		10.0	774.9476	+0.4 mmu 
C15.H45.N1.O3.F3.P3.S7.Cl1.Br1.		10.0	774.9481	-0.1 mmu 
C19.H39.N3.O6.S8.Cl1.Br1.		17.0	774.9476	+0.4 mmu 
C13.H32.N13.O1.F1.S8.Cl1.Br1.		19.0	774.9474	+0.6 mmu 
C25.H37.N1.O1.F2.S8.Cl1.Br1.		22.0	774.9481	-0.1 mmu 
C15.H35.N7.O1.F4.S8.Cl1.Br1.		15.0	774.9477	+0.3 mmu 
C17.H38.N1.O1.F7.S8.Cl1.Br1.		11.0	774.9479	+0.1 mmu 
C14.H36.N11.O1.P1.S8.Cl1.Br1.		19.0	774.9479	+0.1 mmu 
C16.H39.N5.O1.F3.P1.S8.Cl1.Br1.		15.0	774.9482	-0.2 mmu 
C20.H42.N3.F1.P2.S8.Cl1.Br1.		19.0	774.9476	+0.4 mmu 
C17.H43.N3.O1.F2.P2.S8.Cl1.Br1.		15.0	774.9487	-0.7 mmu 
C21.H46.N1.P3.S8.Cl1.Br1.		19.0	774.9481	-0.1 mmu 
C17.H41.N3.O3.F2.S9.Cl1.Br1.		15.0	774.9474	+0.6 mmu 
C14.H42.N3.O4.F3.S9.Cl1.Br1.		11.0	774.9486	-0.6 mmu 
C18.H45.N1.O3.F1.P1.S9.Cl1.Br1.		15.0	774.9479	+0.1 mmu 
C20.H43.N3.O1.S10.Cl1.Br1.		20.0	774.9485	-0.5 mmu 
C16.H47.N1.F3.P1.S10.Cl1.Br1.		13.0	774.9477	+0.3 mmu 
C29.H12.N11.O7.Cl2.Br1.		28.0	774.9482	-0.2 mmu 
C14.H8.N23.O8.Cl2.Br1.		21.0	774.9487	-0.7 mmu 
C13.H12.N19.O12.Cl2.Br1.		16.0	774.9473	+0.7 mmu 
C16.H20.N9.O18.Cl2.Br1.		10.0	774.9487	-0.7 mmu 
C38.H9.N9.O1.F1.Cl2.Br1.		37.0	774.9475	+0.5 mmu 
C23.H5.N21.O2.F1.Cl2.Br1.		30.0	774.9480	+0.0 mmu 
C25.H17.N7.O12.F1.Cl2.Br1.		19.0	774.9480	+0.0 mmu 
C35.H10.N9.O2.F2.Cl2.Br1.		33.0	774.9486	-0.6 mmu 
C34.H14.N5.O6.F2.Cl2.Br1.		28.0	774.9473	+0.7 mmu 
C19.H10.N17.O7.F2.Cl2.Br1.		21.0	774.9478	+0.2 mmu 
C21.H22.N3.O17.F2.Cl2.Br1.		10.0	774.9478	+0.2 mmu 
C31.H15.N5.O7.F3.Cl2.Br1.		24.0	774.9484	-0.4 mmu 
C15.H15.N13.O12.F3.Cl2.Br1.		12.0	774.9476	+0.4 mmu 
C40.H12.N3.O1.F4.Cl2.Br1.		33.0	774.9477	+0.3 mmu 
C25.H8.N15.O2.F4.Cl2.Br1.		26.0	774.9482	-0.2 mmu 
C27.H20.N1.O12.F4.Cl2.Br1.		15.0	774.9482	-0.2 mmu 
C12.H16.N13.O13.F4.Cl2.Br1.		8.0	774.9487	-0.7 mmu 
C21.H13.N11.O7.F5.Cl2.Br1.		17.0	774.9480	-0.0 mmu 
C30.H10.N9.O1.F6.Cl2.Br1.		26.0	774.9473	+0.7 mmu 
C15.H6.N21.O2.F6.Cl2.Br1.		19.0	774.9478	+0.2 mmu 
C17.H18.N7.O12.F6.Cl2.Br1.		8.0	774.9478	+0.2 mmu 
C27.H11.N9.O2.F7.Cl2.Br1.		22.0	774.9484	-0.4 mmu 
C11.H11.N17.O7.F7.Cl2.Br1.		10.0	774.9476	+0.4 mmu 
C23.H16.N5.O7.F8.Cl2.Br1.		13.0	774.9482	-0.2 mmu 
C32.H13.N3.O1.F9.Cl2.Br1.		22.0	774.9475	+0.5 mmu 
C17.H9.N15.O2.F9.Cl2.Br1.		15.0	774.9480	-0.0 mmu 
C19.H21.N1.O12.F9.Cl2.Br1.		4.0	774.9480	-0.0 mmu 
C29.H14.N3.O2.F10.Cl2.Br1.		18.0	774.9487	-0.7 mmu 
C13.H14.N11.O7.F10.Cl2.Br1.		6.0	774.9478	+0.2 mmu 
C19.H12.N9.O2.F12.Cl2.Br1.		11.0	774.9483	-0.3 mmu 
C39.H13.N7.O1.P1.Cl2.Br1.		37.0	774.9480	+0.0 mmu 
C24.H9.N19.O2.P1.Cl2.Br1.		30.0	774.9485	-0.5 mmu 
C26.H21.N5.O12.P1.Cl2.Br1.		19.0	774.9485	-0.5 mmu 
C35.H18.N3.O6.F1.P1.Cl2.Br1.		28.0	774.9478	+0.2 mmu 
C20.H14.N15.O7.F1.P1.Cl2.Br1.		21.0	774.9483	-0.3 mmu 
C22.H26.N1.O17.F1.P1.Cl2.Br1.		10.0	774.9483	-0.3 mmu 
C29.H11.N13.O1.F2.P1.Cl2.Br1.		30.0	774.9476	+0.4 mmu 
C14.H7.N25.O2.F2.P1.Cl2.Br1.		23.0	774.9481	-0.1 mmu 
C16.H19.N11.O12.F2.P1.Cl2.Br1.		12.0	774.9481	-0.1 mmu 
C41.H16.N1.O1.F3.P1.Cl2.Br1.		33.0	774.9482	-0.2 mmu 
C26.H12.N13.O2.F3.P1.Cl2.Br1.		26.0	774.9487	-0.7 mmu 
C25.H16.N9.O6.F3.P1.Cl2.Br1.		21.0	774.9474	+0.6 mmu 
C22.H17.N9.O7.F4.P1.Cl2.Br1.		17.0	774.9485	-0.5 mmu 
C31.H14.N7.O1.F5.P1.Cl2.Br1.		26.0	774.9478	+0.2 mmu 
C16.H10.N19.O2.F5.P1.Cl2.Br1.		19.0	774.9483	-0.3 mmu 
C18.H22.N5.O12.F5.P1.Cl2.Br1.		8.0	774.9483	-0.3 mmu 
C27.H19.N3.O6.F6.P1.Cl2.Br1.		17.0	774.9476	+0.4 mmu 
C12.H15.N15.O7.F6.P1.Cl2.Br1.		10.0	774.9481	-0.1 mmu 
C21.H12.N13.O1.F7.P1.Cl2.Br1.		19.0	774.9474	+0.6 mmu 
C24.H20.N3.O7.F7.P1.Cl2.Br1.		13.0	774.9488	-0.8 mmu 
C33.H17.N1.O1.F8.P1.Cl2.Br1.		22.0	774.9480	-0.0 mmu 
C18.H13.N13.O2.F8.P1.Cl2.Br1.		15.0	774.9485	-0.5 mmu 
C14.H18.N9.O7.F9.P1.Cl2.Br1.		6.0	774.9484	-0.4 mmu 
C23.H15.N7.O1.F10.P1.Cl2.Br1.		15.0	774.9476	+0.4 mmu 
C19.H20.N3.O6.F11.P1.Cl2.Br1.		6.0	774.9475	+0.5 mmu 
C13.H13.N13.O1.F12.P1.Cl2.Br1.		8.0	774.9472	+0.8 mmu 
C16.H21.N3.O7.F12.P1.Cl2.Br1.		2.0	774.9486	-0.6 mmu 
C18.H10.N23.O1.P2.Cl2.Br1.		27.0	774.9474	+0.6 mmu 
C36.H22.N1.O6.P2.Cl2.Br1.		28.0	774.9483	-0.3 mmu 
C20.H22.N9.O11.P2.Cl2.Br1.		16.0	774.9474	+0.6 mmu 
C30.H15.N11.O1.F1.P2.Cl2.Br1.		30.0	774.9481	-0.1 mmu 
C15.H11.N23.O2.F1.P2.Cl2.Br1.		23.0	774.9486	-0.6 mmu 
C14.H15.N19.O6.F1.P2.Cl2.Br1.		18.0	774.9472	+0.8 mmu 
C17.H23.N9.O12.F1.P2.Cl2.Br1.		12.0	774.9486	-0.6 mmu 
C16.H27.N5.O16.F1.P2.Cl2.Br1.		7.0	774.9472	+0.8 mmu 
C26.H20.N7.O6.F2.P2.Cl2.Br1.		21.0	774.9479	+0.1 mmu 
C11.H16.N19.O7.F2.P2.Cl2.Br1.		14.0	774.9484	-0.4 mmu 
C20.H13.N17.O1.F3.P2.Cl2.Br1.		23.0	774.9477	+0.3 mmu 
C22.H25.N3.O11.F3.P2.Cl2.Br1.		12.0	774.9477	+0.3 mmu 
C32.H18.N5.O1.F4.P2.Cl2.Br1.		26.0	774.9483	-0.3 mmu 
C16.H18.N13.O6.F4.P2.Cl2.Br1.		14.0	774.9475	+0.5 mmu 
C28.H23.N1.O6.F5.P2.Cl2.Br1.		17.0	774.9481	-0.1 mmu 
C13.H19.N13.O7.F5.P2.Cl2.Br1.		10.0	774.9486	-0.6 mmu 
C12.H23.N9.O11.F5.P2.Cl2.Br1.		5.0	774.9473	+0.7 mmu 
C22.H16.N11.O1.F6.P2.Cl2.Br1.		19.0	774.9479	+0.1 mmu 
C18.H21.N7.O6.F7.P2.Cl2.Br1.		10.0	774.9477	+0.3 mmu 
C12.H14.N17.O1.F8.P2.Cl2.Br1.		12.0	774.9475	+0.5 mmu 
C14.H26.N3.O11.F8.P2.Cl2.Br1.		1.0	774.9475	+0.5 mmu 
C24.H19.N5.O1.F9.P2.Cl2.Br1.		15.0	774.9482	-0.2 mmu 
C9.H15.N17.O2.F9.P2.Cl2.Br1.		8.0	774.9487	-0.7 mmu 
C8.H19.N13.O6.F9.P2.Cl2.Br1.		3.0	774.9473	+0.7 mmu 
C20.H24.N1.O6.F10.P2.Cl2.Br1.		6.0	774.9480	+0.0 mmu 
C14.H17.N11.O1.F11.P2.Cl2.Br1.		8.0	774.9478	+0.2 mmu 
C31.H19.N9.O1.P3.Cl2.Br1.		30.0	774.9486	-0.6 mmu 
C30.H23.N5.O5.P3.Cl2.Br1.		25.0	774.9472	+0.8 mmu 
C15.H19.N17.O6.P3.Cl2.Br1.		18.0	774.9477	+0.3 mmu 
C17.H31.N3.O16.P3.Cl2.Br1.		7.0	774.9478	+0.2 mmu 
C27.H24.N5.O6.F1.P3.Cl2.Br1.		21.0	774.9484	-0.4 mmu 
C11.H24.N13.O11.F1.P3.Cl2.Br1.		9.0	774.9476	+0.4 mmu 
C36.H21.N3.F2.P3.Cl2.Br1.		30.0	774.9477	+0.3 mmu 
C21.H17.N15.O1.F2.P3.Cl2.Br1.		23.0	774.9482	-0.2 mmu 
C23.H29.N1.O11.F2.P3.Cl2.Br1.		12.0	774.9482	-0.2 mmu 
C17.H22.N11.O6.F3.P3.Cl2.Br1.		14.0	774.9480	+0.0 mmu 
C26.H19.N9.F4.P3.Cl2.Br1.		23.0	774.9473	+0.7 mmu 
C11.H15.N21.O1.F4.P3.Cl2.Br1.		16.0	774.9478	+0.2 mmu 
C13.H27.N7.O11.F4.P3.Cl2.Br1.		5.0	774.9478	+0.2 mmu 
C23.H20.N9.O1.F5.P3.Cl2.Br1.		19.0	774.9484	-0.4 mmu 
C19.H25.N5.O6.F6.P3.Cl2.Br1.		10.0	774.9482	-0.2 mmu 
C28.H22.N3.F7.P3.Cl2.Br1.		19.0	774.9475	+0.5 mmu 
C13.H18.N15.O1.F7.P3.Cl2.Br1.		12.0	774.9480	-0.0 mmu 
C15.H30.N1.O11.F7.P3.Cl2.Br1.		1.0	774.9480	-0.0 mmu 
C25.H23.N3.O1.F8.P3.Cl2.Br1.		15.0	774.9487	-0.7 mmu 
C15.H21.N9.O1.F10.P3.Cl2.Br1.		8.0	774.9483	-0.3 mmu 
C20.H23.N3.F12.P3.Cl2.Br1.		8.0	774.9474	+0.6 mmu 
C25.H20.N13.P4.Cl2.Br1.		27.0	774.9476	+0.4 mmu 
C37.H25.N1.F1.P4.Cl2.Br1.		30.0	774.9482	-0.2 mmu 
C22.H21.N13.O1.F1.P4.Cl2.Br1.		23.0	774.9487	-0.7 mmu 
C21.H25.N9.O5.F1.P4.Cl2.Br1.		18.0	774.9474	+0.6 mmu 
C18.H26.N9.O6.F2.P4.Cl2.Br1.		14.0	774.9485	-0.5 mmu 
C27.H23.N7.F3.P4.Cl2.Br1.		23.0	774.9478	+0.2 mmu 
C14.H31.N5.O11.F3.P4.Cl2.Br1.		5.0	774.9483	-0.3 mmu 
C23.H28.N3.O5.F4.P4.Cl2.Br1.		14.0	774.9476	+0.4 mmu 
C17.H21.N13.F5.P4.Cl2.Br1.		16.0	774.9474	+0.6 mmu 
C20.H29.N3.O6.F5.P4.Cl2.Br1.		10.0	774.9487	-0.7 mmu 
C29.H26.N1.F6.P4.Cl2.Br1.		19.0	774.9480	-0.0 mmu 
C14.H22.N13.O1.F6.P4.Cl2.Br1.		12.0	774.9485	-0.5 mmu 
C19.H24.N7.F8.P4.Cl2.Br1.		12.0	774.9476	+0.4 mmu 
C15.H29.N3.O5.F9.P4.Cl2.Br1.		3.0	774.9474	+0.6 mmu 
C21.H27.N1.F11.P4.Cl2.Br1.		8.0	774.9479	+0.1 mmu 
C22.H29.N7.O5.P5.Cl2.Br1.		18.0	774.9479	+0.1 mmu 
C16.H22.N17.F1.P5.Cl2.Br1.		20.0	774.9477	+0.3 mmu 
C18.H34.N3.O10.F1.P5.Cl2.Br1.		9.0	774.9477	+0.3 mmu 
C28.H27.N5.F2.P5.Cl2.Br1.		23.0	774.9483	-0.3 mmu 
C24.H32.N1.O5.F3.P5.Cl2.Br1.		14.0	774.9481	-0.1 mmu 
C18.H25.N11.F4.P5.Cl2.Br1.		16.0	774.9479	+0.1 mmu 
C20.H28.N5.F7.P5.Cl2.Br1.		12.0	774.9481	-0.1 mmu 
C16.H33.N1.O5.F8.P5.Cl2.Br1.		3.0	774.9479	+0.1 mmu 
C19.H38.N1.O10.P6.Cl2.Br1.		9.0	774.9482	-0.2 mmu 
C19.H29.N9.F3.P6.Cl2.Br1.		16.0	774.9484	-0.4 mmu 
C21.H32.N3.F6.P6.Cl2.Br1.		12.0	774.9487	-0.7 mmu 
C37.H16.N5.O4.S1.Cl2.Br1.		33.0	774.9483	-0.3 mmu 
C21.H16.N13.O9.S1.Cl2.Br1.		21.0	774.9475	+0.5 mmu 
C15.H9.N23.O4.F1.S1.Cl2.Br1.		23.0	774.9473	+0.7 mmu 
C33.H21.N1.O9.F1.S1.Cl2.Br1.		24.0	774.9481	-0.1 mmu 
C18.H17.N13.O10.F1.S1.Cl2.Br1.		17.0	774.9487	-0.7 mmu 
C17.H21.N9.O14.F1.S1.Cl2.Br1.		12.0	774.9473	+0.7 mmu 
C27.H14.N11.O4.F2.S1.Cl2.Br1.		26.0	774.9479	+0.1 mmu 
C12.H10.N23.O5.F2.S1.Cl2.Br1.		19.0	774.9484	-0.4 mmu 
C14.H22.N9.O15.F2.S1.Cl2.Br1.		8.0	774.9485	-0.5 mmu 
C23.H19.N7.O9.F3.S1.Cl2.Br1.		17.0	774.9477	+0.3 mmu 
C17.H12.N17.O4.F4.S1.Cl2.Br1.		19.0	774.9475	+0.5 mmu 
C19.H24.N3.O14.F4.S1.Cl2.Br1.		8.0	774.9476	+0.4 mmu 
C29.H17.N5.O4.F5.S1.Cl2.Br1.		22.0	774.9482	-0.2 mmu 
C14.H13.N17.O5.F5.S1.Cl2.Br1.		15.0	774.9487	-0.7 mmu 
C13.H17.N13.O9.F5.S1.Cl2.Br1.		10.0	774.9473	+0.7 mmu 
C16.H25.N3.O15.F5.S1.Cl2.Br1.		4.0	774.9487	-0.7 mmu 
C25.H22.N1.O9.F6.S1.Cl2.Br1.		13.0	774.9480	+0.0 mmu 
C10.H18.N13.O10.F6.S1.Cl2.Br1.		6.0	774.9485	-0.5 mmu 
C19.H15.N11.O4.F7.S1.Cl2.Br1.		15.0	774.9478	+0.2 mmu 
C15.H20.N7.O9.F8.S1.Cl2.Br1.		6.0	774.9476	+0.4 mmu 
C9.H13.N17.O4.F9.S1.Cl2.Br1.		8.0	774.9474	+0.6 mmu 
C12.H21.N7.O10.F9.S1.Cl2.Br1.		2.0	774.9487	-0.7 mmu 
C21.H18.N5.O4.F10.S1.Cl2.Br1.		11.0	774.9480	-0.0 mmu 
C17.H23.N1.O9.F11.S1.Cl2.Br1.		2.0	774.9478	+0.2 mmu 
C11.H16.N11.O4.F12.S1.Cl2.Br1.		4.0	774.9476	+0.4 mmu 
C31.H17.N9.O3.P1.S1.Cl2.Br1.		30.0	774.9473	+0.7 mmu 
C16.H13.N21.O4.P1.S1.Cl2.Br1.		23.0	774.9478	+0.2 mmu 
C18.H25.N7.O14.P1.S1.Cl2.Br1.		12.0	774.9478	+0.2 mmu 
C28.H18.N9.O4.F1.P1.S1.Cl2.Br1.		26.0	774.9485	-0.5 mmu 
C12.H18.N17.O9.F1.P1.S1.Cl2.Br1.		14.0	774.9476	+0.4 mmu 
C24.H23.N5.O9.F2.P1.S1.Cl2.Br1.		17.0	774.9483	-0.3 mmu 
C9.H19.N17.O10.F2.P1.S1.Cl2.Br1.		10.0	774.9488	-0.8 mmu 
C33.H20.N3.O3.F3.P1.S1.Cl2.Br1.		26.0	774.9476	+0.4 mmu 
C18.H16.N15.O4.F3.P1.S1.Cl2.Br1.		19.0	774.9481	-0.1 mmu 
C20.H28.N1.O14.F3.P1.S1.Cl2.Br1.		8.0	774.9481	-0.1 mmu 
C30.H21.N3.O4.F4.P1.S1.Cl2.Br1.		22.0	774.9487	-0.7 mmu 
C14.H21.N11.O9.F4.P1.S1.Cl2.Br1.		10.0	774.9479	+0.1 mmu 
C20.H19.N9.O4.F6.P1.S1.Cl2.Br1.		15.0	774.9483	-0.3 mmu 
C16.H24.N5.O9.F7.P1.S1.Cl2.Br1.		6.0	774.9481	-0.1 mmu 
C25.H21.N3.O3.F8.P1.S1.Cl2.Br1.		15.0	774.9474	+0.6 mmu 
C10.H17.N15.O4.F8.P1.S1.Cl2.Br1.		8.0	774.9479	+0.1 mmu 
C22.H22.N3.O4.F9.P1.S1.Cl2.Br1.		11.0	774.9485	-0.5 mmu 
C12.H20.N9.O4.F11.P1.S1.Cl2.Br1.		4.0	774.9481	-0.1 mmu 
C28.H26.N3.O8.P2.S1.Cl2.Br1.		21.0	774.9476	+0.4 mmu 
C13.H22.N15.O9.P2.S1.Cl2.Br1.		14.0	774.9481	-0.1 mmu 
C22.H19.N13.O3.F1.P2.S1.Cl2.Br1.		23.0	774.9474	+0.6 mmu 
C25.H27.N3.O9.F1.P2.S1.Cl2.Br1.		17.0	774.9488	-0.8 mmu 
C34.H24.N1.O3.F2.P2.S1.Cl2.Br1.		26.0	774.9481	-0.1 mmu 
C19.H20.N13.O4.F2.P2.S1.Cl2.Br1.		19.0	774.9486	-0.6 mmu 
C18.H24.N9.O8.F2.P2.S1.Cl2.Br1.		14.0	774.9472	+0.8 mmu 
C15.H25.N9.O9.F3.P2.S1.Cl2.Br1.		10.0	774.9484	-0.4 mmu 
C24.H22.N7.O3.F4.P2.S1.Cl2.Br1.		19.0	774.9477	+0.3 mmu 
C20.H27.N3.O8.F5.P2.S1.Cl2.Br1.		10.0	774.9475	+0.5 mmu 
C14.H20.N13.O3.F6.P2.S1.Cl2.Br1.		12.0	774.9473	+0.7 mmu 
C17.H28.N3.O9.F6.P2.S1.Cl2.Br1.		6.0	774.9486	-0.6 mmu 
C26.H25.N1.O3.F7.P2.S1.Cl2.Br1.		15.0	774.9479	+0.1 mmu 
C11.H21.N13.O4.F7.P2.S1.Cl2.Br1.		8.0	774.9484	-0.4 mmu 
C16.H23.N7.O3.F9.P2.S1.Cl2.Br1.		8.0	774.9475	+0.5 mmu 
C13.H24.N7.O4.F10.P2.S1.Cl2.Br1.		4.0	774.9486	-0.6 mmu 
C18.H26.N1.O3.F12.P2.S1.Cl2.Br1.		4.0	774.9477	+0.3 mmu 
C23.H23.N11.O3.P3.S1.Cl2.Br1.		23.0	774.9479	+0.1 mmu 
C19.H28.N7.O8.F1.P3.S1.Cl2.Br1.		14.0	774.9477	+0.3 mmu 
C13.H21.N17.O3.F2.P3.S1.Cl2.Br1.		16.0	774.9475	+0.5 mmu 
C15.H33.N3.O13.F2.P3.S1.Cl2.Br1.		5.0	774.9475	+0.5 mmu 
C25.H26.N5.O3.F3.P3.S1.Cl2.Br1.		19.0	774.9482	-0.2 mmu 
C10.H22.N17.O4.F3.P3.S1.Cl2.Br1.		12.0	774.9487	-0.7 mmu 
C12.H34.N3.O14.F3.P3.S1.Cl2.Br1.		1.0	774.9487	-0.7 mmu 
C21.H31.N1.O8.F4.P3.S1.Cl2.Br1.		10.0	774.9480	+0.0 mmu 
C15.H24.N11.O3.F5.P3.S1.Cl2.Br1.		12.0	774.9478	+0.2 mmu 
C11.H29.N7.O8.F6.P3.S1.Cl2.Br1.		3.0	774.9476	+0.4 mmu 
C17.H27.N5.O3.F8.P3.S1.Cl2.Br1.		8.0	774.9480	-0.0 mmu 
C20.H32.N5.O8.P4.S1.Cl2.Br1.		14.0	774.9482	-0.2 mmu 
C29.H29.N3.O2.F1.P4.S1.Cl2.Br1.		23.0	774.9475	+0.5 mmu 
C14.H25.N15.O3.F1.P4.S1.Cl2.Br1.		16.0	774.9480	-0.0 mmu 
C16.H37.N1.O13.F1.P4.S1.Cl2.Br1.		5.0	774.9481	-0.1 mmu 
C26.H30.N3.O3.F2.P4.S1.Cl2.Br1.		19.0	774.9487	-0.7 mmu 
C16.H28.N9.O3.F4.P4.S1.Cl2.Br1.		12.0	774.9483	-0.3 mmu 
C21.H30.N3.O2.F6.P4.S1.Cl2.Br1.		12.0	774.9474	+0.6 mmu 
C18.H31.N3.O3.F7.P4.S1.Cl2.Br1.		8.0	774.9485	-0.5 mmu 
C30.H33.N1.O2.P5.S1.Cl2.Br1.		23.0	774.9481	-0.1 mmu 
C20.H31.N7.O2.F2.P5.S1.Cl2.Br1.		16.0	774.9477	+0.3 mmu 
C16.H36.N3.O7.F3.P5.S1.Cl2.Br1.		7.0	774.9475	+0.5 mmu 
C22.H34.N1.O2.F5.P5.S1.Cl2.Br1.		12.0	774.9479	+0.1 mmu 
C21.H35.N5.O2.F1.P6.S1.Cl2.Br1.		16.0	774.9482	-0.2 mmu 
C22.H39.N3.O2.P7.S1.Cl2.Br1.		16.0	774.9487	-0.7 mmu 
C29.H20.N7.O6.S2.Cl2.Br1.		26.0	774.9477	+0.3 mmu 
C14.H16.N19.O7.S2.Cl2.Br1.		19.0	774.9482	-0.2 mmu 
C16.H28.N5.O17.S2.Cl2.Br1.		8.0	774.9482	-0.2 mmu 
C23.H13.N17.O1.F1.S2.Cl2.Br1.		28.0	774.9475	+0.5 mmu 
C25.H25.N3.O11.F1.S2.Cl2.Br1.		17.0	774.9475	+0.5 mmu 
C10.H21.N15.O12.F1.S2.Cl2.Br1.		10.0	774.9480	+0.0 mmu 
C35.H18.N5.O1.F2.S2.Cl2.Br1.		31.0	774.9481	-0.1 mmu 
C20.H14.N17.O2.F2.S2.Cl2.Br1.		24.0	774.9486	-0.6 mmu 
C19.H18.N13.O6.F2.S2.Cl2.Br1.		19.0	774.9473	+0.7 mmu 
C22.H26.N3.O12.F2.S2.Cl2.Br1.		13.0	774.9486	-0.6 mmu 
C31.H23.N1.O6.F3.S2.Cl2.Br1.		22.0	774.9479	+0.1 mmu 
C16.H19.N13.O7.F3.S2.Cl2.Br1.		15.0	774.9484	-0.4 mmu 
C25.H16.N11.O1.F4.S2.Cl2.Br1.		24.0	774.9477	+0.3 mmu 
C12.H24.N9.O12.F4.S2.Cl2.Br1.		6.0	774.9482	-0.2 mmu 
C21.H21.N7.O6.F5.S2.Cl2.Br1.		15.0	774.9475	+0.5 mmu 
C15.H14.N17.O1.F6.S2.Cl2.Br1.		17.0	774.9473	+0.7 mmu 
C18.H22.N7.O7.F6.S2.Cl2.Br1.		11.0	774.9487	-0.7 mmu 
C17.H26.N3.O11.F6.S2.Cl2.Br1.		6.0	774.9473	+0.7 mmu 
C27.H19.N5.O1.F7.S2.Cl2.Br1.		20.0	774.9480	+0.0 mmu 
C12.H15.N17.O2.F7.S2.Cl2.Br1.		13.0	774.9485	-0.5 mmu 
C14.H27.N3.O12.F7.S2.Cl2.Br1.		2.0	774.9485	-0.5 mmu 
C23.H24.N1.O6.F8.S2.Cl2.Br1.		11.0	774.9478	+0.2 mmu 
C8.H20.N13.O7.F8.S2.Cl2.Br1.		4.0	774.9483	-0.3 mmu 
C17.H17.N11.O1.F9.S2.Cl2.Br1.		13.0	774.9476	+0.4 mmu 
C14.H18.N11.O2.F10.S2.Cl2.Br1.		9.0	774.9487	-0.7 mmu 
C13.H22.N7.O6.F10.S2.Cl2.Br1.		4.0	774.9474	+0.6 mmu 
C10.H23.N7.O7.F11.S2.Cl2.Br1.		0.0	774.9485	-0.5 mmu 
C19.H20.N5.O1.F12.S2.Cl2.Br1.		9.0	774.9478	+0.2 mmu 
C39.H21.N3.P1.S2.Cl2.Br1.		35.0	774.9475	+0.5 mmu 
C24.H17.N15.O1.P1.S2.Cl2.Br1.		28.0	774.9480	+0.0 mmu 
C26.H29.N1.O11.P1.S2.Cl2.Br1.		17.0	774.9480	-0.0 mmu 
C11.H25.N13.O12.P1.S2.Cl2.Br1.		10.0	774.9485	-0.5 mmu 
C36.H22.N3.O1.F1.P1.S2.Cl2.Br1.		31.0	774.9486	-0.6 mmu 
C20.H22.N11.O6.F1.P1.S2.Cl2.Br1.		19.0	774.9478	+0.2 mmu 
C14.H15.N21.O1.F2.P1.S2.Cl2.Br1.		21.0	774.9476	+0.4 mmu 
C16.H27.N7.O11.F2.P1.S2.Cl2.Br1.		10.0	774.9476	+0.4 mmu 
C26.H20.N9.O1.F3.P1.S2.Cl2.Br1.		24.0	774.9482	-0.2 mmu 
C11.H16.N21.O2.F3.P1.S2.Cl2.Br1.		17.0	774.9487	-0.7 mmu 
C10.H20.N17.O6.F3.P1.S2.Cl2.Br1.		12.0	774.9474	+0.6 mmu 
C13.H28.N7.O12.F3.P1.S2.Cl2.Br1.		6.0	774.9487	-0.7 mmu 
C22.H25.N5.O6.F4.P1.S2.Cl2.Br1.		15.0	774.9480	-0.0 mmu 
C31.H22.N3.F5.P1.S2.Cl2.Br1.		24.0	774.9473	+0.7 mmu 
C16.H18.N15.O1.F5.P1.S2.Cl2.Br1.		17.0	774.9478	+0.2 mmu 
C18.H30.N1.O11.F5.P1.S2.Cl2.Br1.		6.0	774.9478	+0.2 mmu 
C28.H23.N3.O1.F6.P1.S2.Cl2.Br1.		20.0	774.9485	-0.5 mmu 
C12.H23.N11.O6.F6.P1.S2.Cl2.Br1.		8.0	774.9476	+0.4 mmu 
C18.H21.N9.O1.F8.P1.S2.Cl2.Br1.		13.0	774.9481	-0.1 mmu 
C14.H26.N5.O6.F9.P1.S2.Cl2.Br1.		4.0	774.9479	+0.1 mmu 
C8.H19.N15.O1.F10.P1.S2.Cl2.Br1.		6.0	774.9477	+0.3 mmu 
C20.H24.N3.O1.F11.P1.S2.Cl2.Br1.		9.0	774.9483	-0.3 mmu 
C21.H26.N9.O6.P2.S2.Cl2.Br1.		19.0	774.9483	-0.3 mmu 
C30.H23.N7.F1.P2.S2.Cl2.Br1.		28.0	774.9476	+0.4 mmu 
C15.H19.N19.O1.F1.P2.S2.Cl2.Br1.		21.0	774.9481	-0.1 mmu 
C17.H31.N5.O11.F1.P2.S2.Cl2.Br1.		10.0	774.9481	-0.1 mmu 
C27.H24.N7.O1.F2.P2.S2.Cl2.Br1.		24.0	774.9487	-0.7 mmu 
C26.H28.N3.O5.F2.P2.S2.Cl2.Br1.		19.0	774.9474	+0.6 mmu 
C11.H24.N15.O6.F2.P2.S2.Cl2.Br1.		12.0	774.9479	+0.1 mmu 
C23.H29.N3.O6.F3.P2.S2.Cl2.Br1.		15.0	774.9486	-0.6 mmu 
C32.H26.N1.F4.P2.S2.Cl2.Br1.		24.0	774.9478	+0.2 mmu 
C17.H22.N13.O1.F4.P2.S2.Cl2.Br1.		17.0	774.9483	-0.3 mmu 
C13.H27.N9.O6.F5.P2.S2.Cl2.Br1.		8.0	774.9482	-0.2 mmu 
C22.H24.N7.F6.P2.S2.Cl2.Br1.		17.0	774.9474	+0.6 mmu 
C19.H25.N7.O1.F7.P2.S2.Cl2.Br1.		13.0	774.9486	-0.6 mmu 
C18.H29.N3.O5.F7.P2.S2.Cl2.Br1.		8.0	774.9473	+0.7 mmu 
C15.H30.N3.O6.F8.P2.S2.Cl2.Br1.		4.0	774.9484	-0.4 mmu 
C24.H27.N1.F9.P2.S2.Cl2.Br1.		13.0	774.9477	+0.3 mmu 
C9.H23.N13.O1.F9.P2.S2.Cl2.Br1.		6.0	774.9482	-0.2 mmu 
C14.H25.N7.F11.P2.S2.Cl2.Br1.		6.0	774.9473	+0.7 mmu 
C11.H26.N7.O1.F12.P2.S2.Cl2.Br1.		2.0	774.9484	-0.4 mmu 
C31.H27.N5.P3.S2.Cl2.Br1.		28.0	774.9481	-0.1 mmu 
C16.H23.N17.O1.P3.S2.Cl2.Br1.		21.0	774.9486	-0.6 mmu 
C15.H27.N13.O5.P3.S2.Cl2.Br1.		16.0	774.9473	+0.7 mmu 
C18.H35.N3.O11.P3.S2.Cl2.Br1.		10.0	774.9486	-0.6 mmu 
C27.H32.N1.O5.F1.P3.S2.Cl2.Br1.		19.0	774.9479	+0.1 mmu 
C12.H28.N13.O6.F1.P3.S2.Cl2.Br1.		12.0	774.9484	-0.4 mmu 
C21.H25.N11.F2.P3.S2.Cl2.Br1.		21.0	774.9477	+0.3 mmu 
C17.H30.N7.O5.F3.P3.S2.Cl2.Br1.		12.0	774.9475	+0.5 mmu 
C11.H23.N17.F4.P3.S2.Cl2.Br1.		14.0	774.9473	+0.7 mmu 
C14.H31.N7.O6.F4.P3.S2.Cl2.Br1.		8.0	774.9487	-0.7 mmu 
C13.H35.N3.O10.F4.P3.S2.Cl2.Br1.		3.0	774.9473	+0.7 mmu 
C23.H28.N5.F5.P3.S2.Cl2.Br1.		17.0	774.9480	+0.0 mmu 
C19.H33.N1.O5.F6.P3.S2.Cl2.Br1.		8.0	774.9478	+0.2 mmu 
C13.H26.N11.F7.P3.S2.Cl2.Br1.		10.0	774.9476	+0.4 mmu 
C10.H27.N11.O1.F8.P3.S2.Cl2.Br1.		6.0	774.9487	-0.7 mmu 
C15.H29.N5.F10.P3.S2.Cl2.Br1.		6.0	774.9478	+0.2 mmu 
C22.H29.N9.F1.P4.S2.Cl2.Br1.		21.0	774.9482	-0.2 mmu 
C18.H34.N5.O5.F2.P4.S2.Cl2.Br1.		12.0	774.9480	-0.0 mmu 
C14.H39.N1.O10.F3.P4.S2.Cl2.Br1.		3.0	774.9478	+0.2 mmu 
C24.H32.N3.F4.P4.S2.Cl2.Br1.		17.0	774.9485	-0.5 mmu 
C14.H30.N9.F6.P4.S2.Cl2.Br1.		10.0	774.9481	-0.1 mmu 
C16.H33.N3.F9.P4.S2.Cl2.Br1.		6.0	774.9483	-0.3 mmu 
C23.H33.N7.P5.S2.Cl2.Br1.		21.0	774.9487	-0.7 mmu 
C22.H37.N3.O4.P5.S2.Cl2.Br1.		16.0	774.9474	+0.6 mmu 
C19.H38.N3.O5.F1.P5.S2.Cl2.Br1.		12.0	774.9485	-0.5 mmu 
C37.H24.N1.O3.S3.Cl2.Br1.		31.0	774.9479	+0.1 mmu 
C22.H20.N13.O4.S3.Cl2.Br1.		24.0	774.9484	-0.4 mmu 
C18.H25.N9.O9.F1.S3.Cl2.Br1.		15.0	774.9482	-0.2 mmu 
C27.H22.N7.O3.F2.S3.Cl2.Br1.		24.0	774.9475	+0.5 mmu 
C12.H18.N19.O4.F2.S3.Cl2.Br1.		17.0	774.9480	+0.0 mmu 
C14.H30.N5.O14.F2.S3.Cl2.Br1.		6.0	774.9480	+0.0 mmu 
C24.H23.N7.O4.F3.S3.Cl2.Br1.		20.0	774.9486	-0.6 mmu 
C23.H27.N3.O8.F3.S3.Cl2.Br1.		15.0	774.9473	+0.7 mmu 
C8.H23.N15.O9.F3.S3.Cl2.Br1.		8.0	774.9478	+0.2 mmu 
C20.H28.N3.O9.F4.S3.Cl2.Br1.		11.0	774.9484	-0.4 mmu 
C29.H25.N1.O3.F5.S3.Cl2.Br1.		20.0	774.9477	+0.3 mmu 
C14.H21.N13.O4.F5.S3.Cl2.Br1.		13.0	774.9482	-0.2 mmu 
C10.H26.N9.O9.F6.S3.Cl2.Br1.		4.0	774.9480	-0.0 mmu 
C19.H23.N7.O3.F7.S3.Cl2.Br1.		13.0	774.9473	+0.7 mmu 
C16.H24.N7.O4.F8.S3.Cl2.Br1.		9.0	774.9485	-0.5 mmu 
C12.H29.N3.O9.F9.S3.Cl2.Br1.		0.0	774.9483	-0.3 mmu 
C21.H26.N1.O3.F10.S3.Cl2.Br1.		9.0	774.9476	+0.4 mmu 
C18.H27.N1.O4.F11.S3.Cl2.Br1.		5.0	774.9487	-0.7 mmu 
C16.H21.N17.O3.P1.S3.Cl2.Br1.		21.0	774.9473	+0.7 mmu 
C19.H29.N7.O9.P1.S3.Cl2.Br1.		15.0	774.9487	-0.7 mmu 
C18.H33.N3.O13.P1.S3.Cl2.Br1.		10.0	774.9474	+0.6 mmu 
C28.H26.N5.O3.F1.P1.S3.Cl2.Br1.		24.0	774.9480	+0.0 mmu 
C13.H22.N17.O4.F1.P1.S3.Cl2.Br1.		17.0	774.9485	-0.5 mmu 
C15.H34.N3.O14.F1.P1.S3.Cl2.Br1.		6.0	774.9485	-0.5 mmu 
C24.H31.N1.O8.F2.P1.S3.Cl2.Br1.		15.0	774.9478	+0.2 mmu 
C9.H27.N13.O9.F2.P1.S3.Cl2.Br1.		8.0	774.9483	-0.3 mmu 
C18.H24.N11.O3.F3.P1.S3.Cl2.Br1.		17.0	774.9476	+0.4 mmu 
C15.H25.N11.O4.F4.P1.S3.Cl2.Br1.		13.0	774.9487	-0.7 mmu 
C14.H29.N7.O8.F4.P1.S3.Cl2.Br1.		8.0	774.9474	+0.6 mmu 
C11.H30.N7.O9.F5.P1.S3.Cl2.Br1.		4.0	774.9485	-0.5 mmu 
C20.H27.N5.O3.F6.P1.S3.Cl2.Br1.		13.0	774.9478	+0.2 mmu 
C16.H32.N1.O8.F7.P1.S3.Cl2.Br1.		4.0	774.9476	+0.4 mmu 
C10.H25.N11.O3.F8.P1.S3.Cl2.Br1.		6.0	774.9474	+0.6 mmu 
C13.H33.N1.O9.F8.P1.S3.Cl2.Br1.		0.0	774.9488	-0.8 mmu 
C12.H28.N5.O3.F11.P1.S3.Cl2.Br1.		2.0	774.9477	+0.3 mmu 
C29.H30.N3.O3.P2.S3.Cl2.Br1.		24.0	774.9485	-0.5 mmu 
C13.H30.N11.O8.P2.S3.Cl2.Br1.		12.0	774.9477	+0.3 mmu 
C19.H28.N9.O3.F2.P2.S3.Cl2.Br1.		17.0	774.9481	-0.1 mmu 
C15.H33.N5.O8.F3.P2.S3.Cl2.Br1.		8.0	774.9479	+0.1 mmu 
C9.H26.N15.O3.F4.P2.S3.Cl2.Br1.		10.0	774.9477	+0.3 mmu 
C21.H31.N3.O3.F5.P2.S3.Cl2.Br1.		13.0	774.9483	-0.3 mmu 
C11.H29.N9.O3.F7.P2.S3.Cl2.Br1.		6.0	774.9479	+0.1 mmu 
C13.H32.N3.O3.F10.P2.S3.Cl2.Br1.		2.0	774.9482	-0.2 mmu 
C23.H31.N7.O2.P3.S3.Cl2.Br1.		21.0	774.9475	+0.5 mmu 
C20.H32.N7.O3.F1.P3.S3.Cl2.Br1.		17.0	774.9486	-0.6 mmu 
C19.H36.N3.O7.F1.P3.S3.Cl2.Br1.		12.0	774.9473	+0.7 mmu 
C16.H37.N3.O8.F2.P3.S3.Cl2.Br1.		8.0	774.9484	-0.4 mmu 
C25.H34.N1.O2.F3.P3.S3.Cl2.Br1.		17.0	774.9477	+0.3 mmu 
C10.H30.N13.O3.F3.P3.S3.Cl2.Br1.		10.0	774.9482	-0.2 mmu 
C15.H32.N7.O2.F5.P3.S3.Cl2.Br1.		10.0	774.9473	+0.7 mmu 
C12.H33.N7.O3.F6.P3.S3.Cl2.Br1.		6.0	774.9484	-0.4 mmu 
C17.H35.N1.O2.F8.P3.S3.Cl2.Br1.		6.0	774.9475	+0.5 mmu 
C14.H36.N1.O3.F9.P3.S3.Cl2.Br1.		2.0	774.9487	-0.7 mmu 
C20.H40.N1.O7.P4.S3.Cl2.Br1.		12.0	774.9478	+0.2 mmu 
C14.H33.N11.O2.F1.P4.S3.Cl2.Br1.		14.0	774.9476	+0.4 mmu 
C16.H36.N5.O2.F4.P4.S3.Cl2.Br1.		10.0	774.9478	+0.2 mmu 
C17.H40.N3.O2.F3.P5.S3.Cl2.Br1.		10.0	774.9483	-0.3 mmu 
C21.H43.N1.O1.F1.P6.S3.Cl2.Br1.		14.0	774.9477	+0.3 mmu 
C30.H24.N7.O1.S4.Cl2.Br1.		29.0	774.9486	-0.6 mmu 
C14.H24.N15.O6.S4.Cl2.Br1.		17.0	774.9477	+0.3 mmu 
C16.H36.N1.O16.S4.Cl2.Br1.		6.0	774.9477	+0.3 mmu 
C26.H29.N3.O6.F1.S4.Cl2.Br1.		20.0	774.9484	-0.4 mmu 
C10.H29.N11.O11.F1.S4.Cl2.Br1.		8.0	774.9475	+0.5 mmu 
C35.H26.N1.F2.S4.Cl2.Br1.		29.0	774.9477	+0.3 mmu 
C20.H22.N13.O1.F2.S4.Cl2.Br1.		22.0	774.9482	-0.2 mmu 
C16.H27.N9.O6.F3.S4.Cl2.Br1.		13.0	774.9480	+0.0 mmu 
C25.H24.N7.F4.S4.Cl2.Br1.		22.0	774.9473	+0.7 mmu 
C10.H20.N19.O1.F4.S4.Cl2.Br1.		15.0	774.9478	+0.2 mmu 
C12.H32.N5.O11.F4.S4.Cl2.Br1.		4.0	774.9478	+0.2 mmu 
C22.H25.N7.O1.F5.S4.Cl2.Br1.		18.0	774.9484	-0.4 mmu 
C18.H30.N3.O6.F6.S4.Cl2.Br1.		9.0	774.9482	-0.2 mmu 
C27.H27.N1.F7.S4.Cl2.Br1.		18.0	774.9475	+0.5 mmu 
C12.H23.N13.O1.F7.S4.Cl2.Br1.		11.0	774.9480	-0.0 mmu 
C24.H28.N1.O1.F8.S4.Cl2.Br1.		14.0	774.9486	-0.6 mmu 
C14.H26.N7.O1.F10.S4.Cl2.Br1.		7.0	774.9482	-0.2 mmu 
C19.H28.N1.F12.S4.Cl2.Br1.		7.0	774.9473	+0.7 mmu 
C24.H25.N11.P1.S4.Cl2.Br1.		26.0	774.9475	+0.5 mmu 
C11.H33.N9.O11.P1.S4.Cl2.Br1.		8.0	774.9480	-0.0 mmu 
C21.H26.N11.O1.F1.P1.S4.Cl2.Br1.		22.0	774.9487	-0.7 mmu 
C20.H30.N7.O5.F1.P1.S4.Cl2.Br1.		17.0	774.9473	+0.7 mmu 
C17.H31.N7.O6.F2.P1.S4.Cl2.Br1.		13.0	774.9485	-0.5 mmu 
C26.H28.N5.F3.P1.S4.Cl2.Br1.		22.0	774.9478	+0.2 mmu 
C11.H24.N17.O1.F3.P1.S4.Cl2.Br1.		15.0	774.9483	-0.3 mmu 
C13.H36.N3.O11.F3.P1.S4.Cl2.Br1.		4.0	774.9483	-0.3 mmu 
C22.H33.N1.O5.F4.P1.S4.Cl2.Br1.		13.0	774.9476	+0.4 mmu 
C16.H26.N11.F5.P1.S4.Cl2.Br1.		15.0	774.9474	+0.6 mmu 
C19.H34.N1.O6.F5.P1.S4.Cl2.Br1.		9.0	774.9487	-0.7 mmu 
C13.H27.N11.O1.F6.P1.S4.Cl2.Br1.		11.0	774.9485	-0.5 mmu 
C18.H29.N5.F8.P1.S4.Cl2.Br1.		11.0	774.9476	+0.4 mmu 
C15.H30.N5.O1.F9.P1.S4.Cl2.Br1.		7.0	774.9488	-0.8 mmu 
C14.H34.N1.O5.F9.P1.S4.Cl2.Br1.		2.0	774.9474	+0.6 mmu 
C21.H34.N5.O5.P2.S4.Cl2.Br1.		17.0	774.9478	+0.2 mmu 
C15.H27.N15.F1.P2.S4.Cl2.Br1.		19.0	774.9476	+0.4 mmu 
C17.H39.N1.O10.F1.P2.S4.Cl2.Br1.		8.0	774.9476	+0.4 mmu 
C27.H32.N3.F2.P2.S4.Cl2.Br1.		22.0	774.9483	-0.3 mmu 
C11.H32.N11.O5.F2.P2.S4.Cl2.Br1.		10.0	774.9474	+0.6 mmu 
C17.H30.N9.F4.P2.S4.Cl2.Br1.		15.0	774.9479	+0.1 mmu 
C13.H35.N5.O5.F5.P2.S4.Cl2.Br1.		6.0	774.9477	+0.3 mmu 
C19.H33.N3.F7.P2.S4.Cl2.Br1.		11.0	774.9481	-0.1 mmu 
C16.H31.N13.P3.S4.Cl2.Br1.		19.0	774.9481	-0.1 mmu 
C12.H36.N9.O5.F1.P3.S4.Cl2.Br1.		10.0	774.9480	+0.0 mmu 
C18.H34.N7.F3.P3.S4.Cl2.Br1.		15.0	774.9484	-0.4 mmu 
C14.H39.N3.O5.F4.P3.S4.Cl2.Br1.		6.0	774.9482	-0.2 mmu 
C20.H37.N1.F6.P3.S4.Cl2.Br1.		11.0	774.9486	-0.6 mmu 
C18.H42.N1.O4.F2.P4.S4.Cl2.Br1.		10.0	774.9476	+0.4 mmu 
C15.H43.N1.O5.F3.P4.S4.Cl2.Br1.		6.0	774.9487	-0.7 mmu 
C22.H28.N9.O3.S5.Cl2.Br1.		22.0	774.9479	+0.1 mmu 
C18.H33.N5.O8.F1.S5.Cl2.Br1.		13.0	774.9477	+0.3 mmu 
C12.H26.N15.O3.F2.S5.Cl2.Br1.		15.0	774.9475	+0.5 mmu 
C14.H38.N1.O13.F2.S5.Cl2.Br1.		4.0	774.9475	+0.5 mmu 
C24.H31.N3.O3.F3.S5.Cl2.Br1.		18.0	774.9481	-0.1 mmu 
C9.H27.N15.O4.F3.S5.Cl2.Br1.		11.0	774.9487	-0.7 mmu 
C14.H29.N9.O3.F5.S5.Cl2.Br1.		11.0	774.9477	+0.3 mmu 
C16.H32.N3.O3.F8.S5.Cl2.Br1.		7.0	774.9480	+0.0 mmu 
C19.H37.N3.O8.P1.S5.Cl2.Br1.		13.0	774.9482	-0.2 mmu 
C28.H34.N1.O2.F1.P1.S5.Cl2.Br1.		22.0	774.9475	+0.5 mmu 
C13.H30.N13.O3.F1.P1.S5.Cl2.Br1.		15.0	774.9480	-0.0 mmu 
C25.H35.N1.O3.F2.P1.S5.Cl2.Br1.		18.0	774.9487	-0.7 mmu 
C15.H33.N7.O3.F4.P1.S5.Cl2.Br1.		11.0	774.9483	-0.3 mmu 
C20.H35.N1.O2.F6.P1.S5.Cl2.Br1.		11.0	774.9474	+0.6 mmu 
C17.H36.N1.O3.F7.P1.S5.Cl2.Br1.		7.0	774.9485	-0.5 mmu 
C14.H34.N11.O3.P2.S5.Cl2.Br1.		15.0	774.9485	-0.5 mmu 
C19.H36.N5.O2.F2.P2.S5.Cl2.Br1.		15.0	774.9476	+0.4 mmu 
C16.H37.N5.O3.F3.P2.S5.Cl2.Br1.		11.0	774.9488	-0.8 mmu 
C15.H41.N1.O7.F3.P2.S5.Cl2.Br1.		6.0	774.9474	+0.6 mmu 
C20.H40.N3.O2.F1.P3.S5.Cl2.Br1.		15.0	774.9481	-0.1 mmu 
C21.H44.N1.O2.P4.S5.Cl2.Br1.		15.0	774.9486	-0.6 mmu 
C16.H44.N1.O1.F4.P4.S5.Cl2.Br1.		8.0	774.9473	+0.7 mmu 
C30.H32.N3.S6.Cl2.Br1.		27.0	774.9481	-0.1 mmu 
C15.H28.N15.O1.S6.Cl2.Br1.		20.0	774.9486	-0.6 mmu 
C14.H32.N11.O5.S6.Cl2.Br1.		15.0	774.9473	+0.7 mmu 
C17.H40.N1.O11.S6.Cl2.Br1.		9.0	774.9486	-0.6 mmu 
C11.H33.N11.O6.F1.S6.Cl2.Br1.		11.0	774.9484	-0.4 mmu 
C20.H30.N9.F2.S6.Cl2.Br1.		20.0	774.9477	+0.3 mmu 
C16.H35.N5.O5.F3.S6.Cl2.Br1.		11.0	774.9475	+0.5 mmu 
C10.H28.N15.F4.S6.Cl2.Br1.		13.0	774.9473	+0.7 mmu 
C13.H36.N5.O6.F4.S6.Cl2.Br1.		7.0	774.9486	-0.6 mmu 
C22.H33.N3.F5.S6.Cl2.Br1.		16.0	774.9479	+0.1 mmu 
C12.H31.N9.F7.S6.Cl2.Br1.		9.0	774.9475	+0.5 mmu 
C14.H34.N3.F10.S6.Cl2.Br1.		5.0	774.9478	+0.2 mmu 
C21.H34.N7.F1.P1.S6.Cl2.Br1.		20.0	774.9482	-0.2 mmu 
C17.H39.N3.O5.F2.P1.S6.Cl2.Br1.		11.0	774.9480	-0.0 mmu 
C11.H32.N13.F3.P1.S6.Cl2.Br1.		13.0	774.9478	+0.2 mmu 
C23.H37.N1.F4.P1.S6.Cl2.Br1.		16.0	774.9484	-0.4 mmu 
C13.H35.N7.F6.P1.S6.Cl2.Br1.		9.0	774.9480	-0.0 mmu 
C15.H38.N1.F9.P1.S6.Cl2.Br1.		5.0	774.9483	-0.3 mmu 
C22.H38.N5.P2.S6.Cl2.Br1.		20.0	774.9487	-0.7 mmu 
C21.H42.N1.O4.P2.S6.Cl2.Br1.		15.0	774.9474	+0.6 mmu 
C18.H43.N1.O5.F1.P2.S6.Cl2.Br1.		11.0	774.9485	-0.5 mmu 
C12.H36.N11.F2.P2.S6.Cl2.Br1.		13.0	774.9483	-0.3 mmu 
C14.H39.N5.F5.P2.S6.Cl2.Br1.		9.0	774.9486	-0.6 mmu 
C22.H36.N5.O2.S7.Cl2.Br1.		20.0	774.9474	+0.6 mmu 
C19.H37.N5.O3.F1.S7.Cl2.Br1.		16.0	774.9486	-0.6 mmu 
C18.H41.N1.O7.F1.S7.Cl2.Br1.		11.0	774.9472	+0.8 mmu 
C15.H42.N1.O8.F2.S7.Cl2.Br1.		7.0	774.9484	-0.4 mmu 
C14.H37.N5.O2.F5.S7.Cl2.Br1.		9.0	774.9473	+0.7 mmu 
C13.H38.N9.O2.F1.P1.S7.Cl2.Br1.		13.0	774.9475	+0.5 mmu 
C15.H41.N3.O2.F4.P1.S7.Cl2.Br1.		9.0	774.9478	+0.2 mmu 
C14.H42.N7.O2.P2.S7.Cl2.Br1.		13.0	774.9481	-0.1 mmu 
C16.H45.N1.O2.F3.P2.S7.Cl2.Br1.		9.0	774.9483	-0.3 mmu 
C15.H36.N11.S8.Cl2.Br1.		18.0	774.9481	-0.1 mmu 
C17.H39.N5.F3.S8.Cl2.Br1.		14.0	774.9484	-0.4 mmu 
C19.H45.N1.O2.F1.S9.Cl2.Br1.		14.0	774.9481	-0.1 mmu 
C40.H13.N7.Cl3.Br1.		36.0	774.9481	-0.1 mmu 
C25.H9.N19.O1.Cl3.Br1.		29.0	774.9486	-0.6 mmu 
C24.H13.N15.O5.Cl3.Br1.		24.0	774.9473	+0.7 mmu 
C27.H21.N5.O11.Cl3.Br1.		18.0	774.9487	-0.7 mmu 
C26.H25.N1.O15.Cl3.Br1.		13.0	774.9473	+0.7 mmu 
C36.H18.N3.O5.F1.Cl3.Br1.		27.0	774.9479	+0.1 mmu 
C21.H14.N15.O6.F1.Cl3.Br1.		20.0	774.9484	-0.4 mmu 
C23.H26.N1.O16.F1.Cl3.Br1.		9.0	774.9485	-0.5 mmu 
C30.H11.N13.F2.Cl3.Br1.		29.0	774.9477	+0.3 mmu 
C15.H7.N25.O1.F2.Cl3.Br1.		22.0	774.9482	-0.2 mmu 
C17.H19.N11.O11.F2.Cl3.Br1.		11.0	774.9483	-0.3 mmu 
C42.H16.N1.F3.Cl3.Br1.		32.0	774.9484	-0.4 mmu 
C26.H16.N9.O5.F3.Cl3.Br1.		20.0	774.9475	+0.5 mmu 
C11.H12.N21.O6.F3.Cl3.Br1.		13.0	774.9480	-0.0 mmu 
C20.H9.N19.F4.Cl3.Br1.		22.0	774.9473	+0.7 mmu 
C23.H17.N9.O6.F4.Cl3.Br1.		16.0	774.9487	-0.7 mmu 
C22.H21.N5.O10.F4.Cl3.Br1.		11.0	774.9474	+0.6 mmu 
C32.H14.N7.F5.Cl3.Br1.		25.0	774.9480	+0.0 mmu 
C17.H10.N19.O1.F5.Cl3.Br1.		18.0	774.9485	-0.5 mmu 
C19.H22.N5.O11.F5.Cl3.Br1.		7.0	774.9485	-0.5 mmu 
C28.H19.N3.O5.F6.Cl3.Br1.		16.0	774.9478	+0.2 mmu 
C13.H15.N15.O6.F6.Cl3.Br1.		9.0	774.9483	-0.3 mmu 
C22.H12.N13.F7.Cl3.Br1.		18.0	774.9476	+0.4 mmu 
C34.H17.N1.F8.Cl3.Br1.		21.0	774.9482	-0.2 mmu 
C19.H13.N13.O1.F8.Cl3.Br1.		14.0	774.9487	-0.7 mmu 
C18.H17.N9.O5.F8.Cl3.Br1.		9.0	774.9474	+0.6 mmu 
C15.H18.N9.O6.F9.Cl3.Br1.		5.0	774.9485	-0.5 mmu 
C24.H15.N7.F10.Cl3.Br1.		14.0	774.9478	+0.2 mmu 
C20.H20.N3.O5.F11.Cl3.Br1.		5.0	774.9476	+0.4 mmu 
C14.H13.N13.F12.Cl3.Br1.		7.0	774.9474	+0.6 mmu 
C17.H21.N3.O6.F12.Cl3.Br1.		1.0	774.9488	-0.8 mmu 
C19.H10.N23.P1.Cl3.Br1.		26.0	774.9476	+0.4 mmu 
C37.H22.N1.O5.P1.Cl3.Br1.		27.0	774.9485	-0.5 mmu 
C21.H22.N9.O10.P1.Cl3.Br1.		15.0	774.9476	+0.4 mmu 
C31.H15.N11.F1.P1.Cl3.Br1.		29.0	774.9482	-0.2 mmu 
C16.H11.N23.O1.F1.P1.Cl3.Br1.		22.0	774.9488	-0.8 mmu 
C15.H15.N19.O5.F1.P1.Cl3.Br1.		17.0	774.9474	+0.6 mmu 
C18.H23.N9.O11.F1.P1.Cl3.Br1.		11.0	774.9488	-0.8 mmu 
C17.H27.N5.O15.F1.P1.Cl3.Br1.		6.0	774.9474	+0.6 mmu 
C27.H20.N7.O5.F2.P1.Cl3.Br1.		20.0	774.9481	-0.1 mmu 
C12.H16.N19.O6.F2.P1.Cl3.Br1.		13.0	774.9486	-0.6 mmu 
C14.H28.N5.O16.F2.P1.Cl3.Br1.		2.0	774.9486	-0.6 mmu 
C21.H13.N17.F3.P1.Cl3.Br1.		22.0	774.9479	+0.1 mmu 
C23.H25.N3.O10.F3.P1.Cl3.Br1.		11.0	774.9479	+0.1 mmu 
C33.H18.N5.F4.P1.Cl3.Br1.		25.0	774.9485	-0.5 mmu 
C17.H18.N13.O5.F4.P1.Cl3.Br1.		13.0	774.9477	+0.3 mmu 
C29.H23.N1.O5.F5.P1.Cl3.Br1.		16.0	774.9483	-0.3 mmu 
C13.H23.N9.O10.F5.P1.Cl3.Br1.		4.0	774.9475	+0.5 mmu 
C23.H16.N11.F6.P1.Cl3.Br1.		18.0	774.9481	-0.1 mmu 
C10.H24.N9.O11.F6.P1.Cl3.Br1.		0.0	774.9486	-0.6 mmu 
C19.H21.N7.O5.F7.P1.Cl3.Br1.		9.0	774.9479	+0.1 mmu 
C13.H14.N17.F8.P1.Cl3.Br1.		11.0	774.9477	+0.3 mmu 
C15.H26.N3.O10.F8.P1.Cl3.Br1.		0.0	774.9477	+0.3 mmu 
C25.H19.N5.F9.P1.Cl3.Br1.		14.0	774.9483	-0.3 mmu 
C9.H19.N13.O5.F9.P1.Cl3.Br1.		2.0	774.9475	+0.5 mmu 
C21.H24.N1.O5.F10.P1.Cl3.Br1.		5.0	774.9481	-0.1 mmu 
C15.H17.N11.F11.P1.Cl3.Br1.		7.0	774.9479	+0.1 mmu 
C32.H19.N9.P2.Cl3.Br1.		29.0	774.9488	-0.8 mmu 
C31.H23.N5.O4.P2.Cl3.Br1.		24.0	774.9474	+0.6 mmu 
C16.H19.N17.O5.P2.Cl3.Br1.		17.0	774.9479	+0.1 mmu 
C18.H31.N3.O15.P2.Cl3.Br1.		6.0	774.9479	+0.1 mmu 
C28.H24.N5.O5.F1.P2.Cl3.Br1.		20.0	774.9486	-0.6 mmu 
C27.H28.N1.O9.F1.P2.Cl3.Br1.		15.0	774.9472	+0.8 mmu 
C12.H24.N13.O10.F1.P2.Cl3.Br1.		8.0	774.9477	+0.3 mmu 
C22.H17.N15.F2.P2.Cl3.Br1.		22.0	774.9484	-0.4 mmu 
C24.H29.N1.O10.F2.P2.Cl3.Br1.		11.0	774.9484	-0.4 mmu 
C18.H22.N11.O5.F3.P2.Cl3.Br1.		13.0	774.9482	-0.2 mmu 
C12.H15.N21.F4.P2.Cl3.Br1.		15.0	774.9480	+0.0 mmu 
C14.H27.N7.O10.F4.P2.Cl3.Br1.		4.0	774.9480	+0.0 mmu 
C24.H20.N9.F5.P2.Cl3.Br1.		18.0	774.9486	-0.6 mmu 
C23.H24.N5.O4.F5.P2.Cl3.Br1.		13.0	774.9473	+0.7 mmu 
C20.H25.N5.O5.F6.P2.Cl3.Br1.		9.0	774.9484	-0.4 mmu 
C14.H18.N15.F7.P2.Cl3.Br1.		11.0	774.9482	-0.2 mmu 
C16.H30.N1.O10.F7.P2.Cl3.Br1.		0.0	774.9482	-0.2 mmu 
C10.H23.N11.O5.F8.P2.Cl3.Br1.		2.0	774.9480	-0.0 mmu 
C16.H21.N9.F10.P2.Cl3.Br1.		7.0	774.9484	-0.4 mmu 
C13.H28.N11.O10.P3.Cl3.Br1.		8.0	774.9482	-0.2 mmu 
C22.H25.N9.O4.F1.P3.Cl3.Br1.		17.0	774.9475	+0.5 mmu 
C19.H26.N9.O5.F2.P3.Cl3.Br1.		13.0	774.9487	-0.7 mmu 
C18.H30.N5.O9.F2.P3.Cl3.Br1.		8.0	774.9473	+0.7 mmu 
C13.H19.N19.F3.P3.Cl3.Br1.		15.0	774.9485	-0.5 mmu 
C15.H31.N5.O10.F3.P3.Cl3.Br1.		4.0	774.9485	-0.5 mmu 
C24.H28.N3.O4.F4.P3.Cl3.Br1.		13.0	774.9478	+0.2 mmu 
C15.H22.N13.F6.P3.Cl3.Br1.		11.0	774.9487	-0.7 mmu 
C14.H26.N9.O4.F6.P3.Cl3.Br1.		6.0	774.9474	+0.6 mmu 
C11.H27.N9.O5.F7.P3.Cl3.Br1.		2.0	774.9485	-0.5 mmu 
C16.H29.N3.O4.F9.P3.Cl3.Br1.		2.0	774.9476	+0.4 mmu 
C23.H29.N7.O4.P4.Cl3.Br1.		17.0	774.9480	-0.0 mmu 
C19.H34.N3.O9.F1.P4.Cl3.Br1.		8.0	774.9478	+0.2 mmu 
C13.H27.N13.O4.F2.P4.Cl3.Br1.		10.0	774.9476	+0.4 mmu 
C25.H32.N1.O4.F3.P4.Cl3.Br1.		13.0	774.9483	-0.3 mmu 
C15.H30.N7.O4.F5.P4.Cl3.Br1.		6.0	774.9479	+0.1 mmu 
C17.H33.N1.O4.F8.P4.Cl3.Br1.		2.0	774.9481	-0.1 mmu 
C20.H38.N1.O9.P5.Cl3.Br1.		8.0	774.9484	-0.4 mmu 
C19.H33.N5.O3.F3.P5.Cl3.Br1.		10.0	774.9473	+0.7 mmu 
C16.H34.N5.O4.F4.P5.Cl3.Br1.		6.0	774.9484	-0.4 mmu 
C20.H37.N3.O3.F2.P6.Cl3.Br1.		10.0	774.9478	+0.2 mmu 
C32.H17.N9.O2.S1.Cl3.Br1.		29.0	774.9475	+0.5 mmu 
C17.H13.N21.O3.S1.Cl3.Br1.		22.0	774.9480	+0.0 mmu 
C19.H25.N7.O13.S1.Cl3.Br1.		11.0	774.9480	-0.0 mmu 
C29.H18.N9.O3.F1.S1.Cl3.Br1.		25.0	774.9486	-0.6 mmu 
C28.H22.N5.O7.F1.S1.Cl3.Br1.		20.0	774.9473	+0.7 mmu 
C13.H18.N17.O8.F1.S1.Cl3.Br1.		13.0	774.9478	+0.2 mmu 
C15.H30.N3.O18.F1.S1.Cl3.Br1.		2.0	774.9478	+0.2 mmu 
C25.H23.N5.O8.F2.S1.Cl3.Br1.		16.0	774.9484	-0.4 mmu 
C34.H20.N3.O2.F3.S1.Cl3.Br1.		25.0	774.9477	+0.3 mmu 
C19.H16.N15.O3.F3.S1.Cl3.Br1.		18.0	774.9482	-0.2 mmu 
C21.H28.N1.O13.F3.S1.Cl3.Br1.		7.0	774.9482	-0.2 mmu 
C15.H21.N11.O8.F4.S1.Cl3.Br1.		9.0	774.9480	-0.0 mmu 
C24.H18.N9.O2.F5.S1.Cl3.Br1.		18.0	774.9473	+0.7 mmu 
C11.H26.N7.O13.F5.S1.Cl3.Br1.		0.0	774.9478	+0.2 mmu 
C21.H19.N9.O3.F6.S1.Cl3.Br1.		14.0	774.9485	-0.5 mmu 
C17.H24.N5.O8.F7.S1.Cl3.Br1.		5.0	774.9483	-0.3 mmu 
C26.H21.N3.O2.F8.S1.Cl3.Br1.		14.0	774.9476	+0.4 mmu 
C11.H17.N15.O3.F8.S1.Cl3.Br1.		7.0	774.9481	-0.1 mmu 
C23.H22.N3.O3.F9.S1.Cl3.Br1.		10.0	774.9487	-0.7 mmu 
C13.H20.N9.O3.F11.S1.Cl3.Br1.		3.0	774.9483	-0.3 mmu 
C29.H26.N3.O7.P1.S1.Cl3.Br1.		20.0	774.9478	+0.2 mmu 
C14.H22.N15.O8.P1.S1.Cl3.Br1.		13.0	774.9483	-0.3 mmu 
C16.H34.N1.O18.P1.S1.Cl3.Br1.		2.0	774.9483	-0.3 mmu 
C23.H19.N13.O2.F1.P1.S1.Cl3.Br1.		22.0	774.9476	+0.4 mmu 
C35.H24.N1.O2.F2.P1.S1.Cl3.Br1.		25.0	774.9482	-0.2 mmu 
C20.H20.N13.O3.F2.P1.S1.Cl3.Br1.		18.0	774.9487	-0.7 mmu 
C19.H24.N9.O7.F2.P1.S1.Cl3.Br1.		13.0	774.9474	+0.6 mmu 
C16.H25.N9.O8.F3.P1.S1.Cl3.Br1.		9.0	774.9485	-0.5 mmu 
C25.H22.N7.O2.F4.P1.S1.Cl3.Br1.		18.0	774.9478	+0.2 mmu 
C10.H18.N19.O3.F4.P1.S1.Cl3.Br1.		11.0	774.9483	-0.3 mmu 
C12.H30.N5.O13.F4.P1.S1.Cl3.Br1.		0.0	774.9484	-0.4 mmu 
C21.H27.N3.O7.F5.P1.S1.Cl3.Br1.		9.0	774.9476	+0.4 mmu 
C15.H20.N13.O2.F6.P1.S1.Cl3.Br1.		11.0	774.9474	+0.6 mmu 
C27.H25.N1.O2.F7.P1.S1.Cl3.Br1.		14.0	774.9481	-0.1 mmu 
C12.H21.N13.O3.F7.P1.S1.Cl3.Br1.		7.0	774.9486	-0.6 mmu 
C11.H25.N9.O7.F7.P1.S1.Cl3.Br1.		2.0	774.9472	+0.8 mmu 
C17.H23.N7.O2.F9.P1.S1.Cl3.Br1.		7.0	774.9477	+0.3 mmu 
C7.H21.N13.O2.F11.P1.S1.Cl3.Br1.		0.0	774.9473	+0.7 mmu 
C19.H26.N1.O2.F12.P1.S1.Cl3.Br1.		3.0	774.9479	+0.1 mmu 
C24.H23.N11.O2.P2.S1.Cl3.Br1.		22.0	774.9481	-0.1 mmu 
C11.H31.N9.O13.P2.S1.Cl3.Br1.		4.0	774.9486	-0.6 mmu 
C20.H28.N7.O7.F1.P2.S1.Cl3.Br1.		13.0	774.9479	+0.1 mmu 
C14.H21.N17.O2.F2.P2.S1.Cl3.Br1.		15.0	774.9477	+0.3 mmu 
C16.H33.N3.O12.F2.P2.S1.Cl3.Br1.		4.0	774.9477	+0.3 mmu 
C26.H26.N5.O2.F3.P2.S1.Cl3.Br1.		18.0	774.9483	-0.3 mmu 
C10.H26.N13.O7.F3.P2.S1.Cl3.Br1.		6.0	774.9475	+0.5 mmu 
C22.H31.N1.O7.F4.P2.S1.Cl3.Br1.		9.0	774.9482	-0.2 mmu 
C16.H24.N11.O2.F5.P2.S1.Cl3.Br1.		11.0	774.9479	+0.1 mmu 
C12.H29.N7.O7.F6.P2.S1.Cl3.Br1.		2.0	774.9478	+0.2 mmu 
C18.H27.N5.O2.F8.P2.S1.Cl3.Br1.		7.0	774.9482	-0.2 mmu 
C21.H32.N5.O7.P3.S1.Cl3.Br1.		13.0	774.9484	-0.4 mmu 
C30.H29.N3.O1.F1.P3.S1.Cl3.Br1.		22.0	774.9477	+0.3 mmu 
C15.H25.N15.O2.F1.P3.S1.Cl3.Br1.		15.0	774.9482	-0.2 mmu 
C17.H37.N1.O12.F1.P3.S1.Cl3.Br1.		4.0	774.9482	-0.2 mmu 
C11.H30.N11.O7.F2.P3.S1.Cl3.Br1.		6.0	774.9480	-0.0 mmu 
C20.H27.N9.O1.F3.P3.S1.Cl3.Br1.		15.0	774.9473	+0.7 mmu 
C17.H28.N9.O2.F4.P3.S1.Cl3.Br1.		11.0	774.9485	-0.5 mmu 
C13.H33.N5.O7.F5.P3.S1.Cl3.Br1.		2.0	774.9483	-0.3 mmu 
C22.H30.N3.O1.F6.P3.S1.Cl3.Br1.		11.0	774.9476	+0.4 mmu 
C19.H31.N3.O2.F7.P3.S1.Cl3.Br1.		7.0	774.9487	-0.7 mmu 
C14.H31.N3.O1.F11.P3.S1.Cl3.Br1.		0.0	774.9474	+0.6 mmu 
C31.H33.N1.O1.P4.S1.Cl3.Br1.		22.0	774.9482	-0.2 mmu 
C16.H29.N13.O2.P4.S1.Cl3.Br1.		15.0	774.9487	-0.7 mmu 
C15.H33.N9.O6.P4.S1.Cl3.Br1.		10.0	774.9474	+0.6 mmu 
C21.H31.N7.O1.F2.P4.S1.Cl3.Br1.		15.0	774.9478	+0.2 mmu 
C17.H36.N3.O6.F3.P4.S1.Cl3.Br1.		6.0	774.9476	+0.4 mmu 
C23.H34.N1.O1.F5.P4.S1.Cl3.Br1.		11.0	774.9481	-0.1 mmu 
C13.H32.N7.O1.F7.P4.S1.Cl3.Br1.		4.0	774.9477	+0.3 mmu 
C15.H35.N1.O1.F10.P4.S1.Cl3.Br1.		0.0	774.9479	+0.1 mmu 
C22.H35.N5.O1.F1.P5.S1.Cl3.Br1.		15.0	774.9483	-0.3 mmu 
C18.H40.N1.O6.F2.P5.S1.Cl3.Br1.		6.0	774.9481	-0.1 mmu 
C25.H17.N15.S2.Cl3.Br1.		27.0	774.9482	-0.2 mmu 
C27.H29.N1.O10.S2.Cl3.Br1.		16.0	774.9482	-0.2 mmu 
C12.H25.N13.O11.S2.Cl3.Br1.		9.0	774.9487	-0.7 mmu 
C21.H22.N11.O5.F1.S2.Cl3.Br1.		18.0	774.9480	+0.0 mmu 
C15.H15.N21.F2.S2.Cl3.Br1.		20.0	774.9478	+0.2 mmu 
C17.H27.N7.O10.F2.S2.Cl3.Br1.		9.0	774.9478	+0.2 mmu 
C27.H20.N9.F3.S2.Cl3.Br1.		23.0	774.9484	-0.4 mmu 
C11.H20.N17.O5.F3.S2.Cl3.Br1.		11.0	774.9476	+0.4 mmu 
C13.H32.N3.O15.F3.S2.Cl3.Br1.		0.0	774.9476	+0.4 mmu 
C23.H25.N5.O5.F4.S2.Cl3.Br1.		14.0	774.9482	-0.2 mmu 
C17.H18.N15.F5.S2.Cl3.Br1.		16.0	774.9480	-0.0 mmu 
C19.H30.N1.O10.F5.S2.Cl3.Br1.		5.0	774.9480	-0.0 mmu 
C29.H23.N3.F6.S2.Cl3.Br1.		19.0	774.9487	-0.7 mmu 
C13.H23.N11.O5.F6.S2.Cl3.Br1.		7.0	774.9478	+0.2 mmu 
C19.H21.N9.F8.S2.Cl3.Br1.		12.0	774.9483	-0.3 mmu 
C15.H26.N5.O5.F9.S2.Cl3.Br1.		3.0	774.9481	-0.1 mmu 
C9.H19.N15.F10.S2.Cl3.Br1.		5.0	774.9479	+0.1 mmu 
C21.H24.N3.F11.S2.Cl3.Br1.		8.0	774.9485	-0.5 mmu 
C22.H26.N9.O5.P1.S2.Cl3.Br1.		18.0	774.9485	-0.5 mmu 
C16.H19.N19.F1.P1.S2.Cl3.Br1.		20.0	774.9483	-0.3 mmu 
C18.H31.N5.O10.F1.P1.S2.Cl3.Br1.		9.0	774.9483	-0.3 mmu 
C27.H28.N3.O4.F2.P1.S2.Cl3.Br1.		18.0	774.9476	+0.4 mmu 
C12.H24.N15.O5.F2.P1.S2.Cl3.Br1.		11.0	774.9481	-0.1 mmu 
C14.H36.N1.O15.F2.P1.S2.Cl3.Br1.		0.0	774.9481	-0.1 mmu 
C24.H29.N3.O5.F3.P1.S2.Cl3.Br1.		14.0	774.9487	-0.7 mmu 
C18.H22.N13.F4.P1.S2.Cl3.Br1.		16.0	774.9485	-0.5 mmu 
C14.H27.N9.O5.F5.P1.S2.Cl3.Br1.		7.0	774.9483	-0.3 mmu 
C20.H25.N7.F7.P1.S2.Cl3.Br1.		12.0	774.9488	-0.8 mmu 
C19.H29.N3.O4.F7.P1.S2.Cl3.Br1.		7.0	774.9474	+0.6 mmu 
C16.H30.N3.O5.F8.P1.S2.Cl3.Br1.		3.0	774.9486	-0.6 mmu 
C10.H23.N13.F9.P1.S2.Cl3.Br1.		5.0	774.9484	-0.4 mmu 
C12.H26.N7.F12.P1.S2.Cl3.Br1.		1.0	774.9486	-0.6 mmu 
C16.H27.N13.O4.P2.S2.Cl3.Br1.		15.0	774.9475	+0.5 mmu 
C28.H32.N1.O4.F1.P2.S2.Cl3.Br1.		18.0	774.9481	-0.1 mmu 
C13.H28.N13.O5.F1.P2.S2.Cl3.Br1.		11.0	774.9486	-0.6 mmu 
C12.H32.N9.O9.F1.P2.S2.Cl3.Br1.		6.0	774.9473	+0.7 mmu 
C18.H30.N7.O4.F3.P2.S2.Cl3.Br1.		11.0	774.9477	+0.3 mmu 
C14.H35.N3.O9.F4.P2.S2.Cl3.Br1.		2.0	774.9475	+0.5 mmu 
C9.H24.N17.F5.P2.S2.Cl3.Br1.		9.0	774.9486	-0.6 mmu 
C20.H33.N1.O4.F6.P2.S2.Cl3.Br1.		7.0	774.9479	+0.1 mmu 
C13.H36.N7.O9.P3.S2.Cl3.Br1.		6.0	774.9478	+0.2 mmu 
C19.H34.N5.O4.F2.P3.S2.Cl3.Br1.		11.0	774.9482	-0.2 mmu 
C15.H39.N1.O9.F3.P3.S2.Cl3.Br1.		2.0	774.9480	-0.0 mmu 
C23.H37.N3.O3.P4.S2.Cl3.Br1.		15.0	774.9476	+0.4 mmu 
C20.H38.N3.O4.F1.P4.S2.Cl3.Br1.		11.0	774.9487	-0.7 mmu 
C15.H38.N3.O3.F5.P4.S2.Cl3.Br1.		4.0	774.9474	+0.6 mmu 
C16.H42.N1.O3.F4.P5.S2.Cl3.Br1.		4.0	774.9479	+0.1 mmu 
C17.H21.N17.O2.S3.Cl3.Br1.		20.0	774.9475	+0.5 mmu 
C19.H33.N3.O12.S3.Cl3.Br1.		9.0	774.9475	+0.5 mmu 
C29.H26.N5.O2.F1.S3.Cl3.Br1.		23.0	774.9482	-0.2 mmu 
C14.H22.N17.O3.F1.S3.Cl3.Br1.		16.0	774.9487	-0.7 mmu 
C13.H26.N13.O7.F1.S3.Cl3.Br1.		11.0	774.9473	+0.7 mmu 
C16.H34.N3.O13.F1.S3.Cl3.Br1.		5.0	774.9487	-0.7 mmu 
C25.H31.N1.O7.F2.S3.Cl3.Br1.		14.0	774.9480	+0.0 mmu 
C10.H27.N13.O8.F2.S3.Cl3.Br1.		7.0	774.9485	-0.5 mmu 
C19.H24.N11.O2.F3.S3.Cl3.Br1.		16.0	774.9478	+0.2 mmu 
C15.H29.N7.O7.F4.S3.Cl3.Br1.		7.0	774.9476	+0.4 mmu 
C9.H22.N17.O2.F5.S3.Cl3.Br1.		9.0	774.9474	+0.6 mmu 
C12.H30.N7.O8.F5.S3.Cl3.Br1.		3.0	774.9487	-0.7 mmu 
C21.H27.N5.O2.F6.S3.Cl3.Br1.		12.0	774.9480	-0.0 mmu 
C17.H32.N1.O7.F7.S3.Cl3.Br1.		3.0	774.9478	+0.2 mmu 
C11.H25.N11.O2.F8.S3.Cl3.Br1.		5.0	774.9476	+0.4 mmu 
C13.H28.N5.O2.F11.S3.Cl3.Br1.		1.0	774.9478	+0.2 mmu 
C30.H30.N3.O2.P1.S3.Cl3.Br1.		23.0	774.9487	-0.7 mmu 
C14.H30.N11.O7.P1.S3.Cl3.Br1.		11.0	774.9478	+0.2 mmu 
C20.H28.N9.O2.F2.P1.S3.Cl3.Br1.		16.0	774.9483	-0.3 mmu 
C16.H33.N5.O7.F3.P1.S3.Cl3.Br1.		7.0	774.9481	-0.1 mmu 
C25.H30.N3.O1.F4.P1.S3.Cl3.Br1.		16.0	774.9474	+0.6 mmu 
C10.H26.N15.O2.F4.P1.S3.Cl3.Br1.		9.0	774.9479	+0.1 mmu 
C22.H31.N3.O2.F5.P1.S3.Cl3.Br1.		12.0	774.9485	-0.5 mmu 
C12.H29.N9.O2.F7.P1.S3.Cl3.Br1.		5.0	774.9481	-0.1 mmu 
C14.H32.N3.O2.F10.P1.S3.Cl3.Br1.		1.0	774.9484	-0.4 mmu 
C24.H31.N7.O1.P2.S3.Cl3.Br1.		20.0	774.9476	+0.4 mmu 
C20.H36.N3.O6.F1.P2.S3.Cl3.Br1.		11.0	774.9474	+0.6 mmu 
C14.H29.N13.O1.F2.P2.S3.Cl3.Br1.		13.0	774.9472	+0.8 mmu 
C17.H37.N3.O7.F2.P2.S3.Cl3.Br1.		7.0	774.9486	-0.6 mmu 
C26.H34.N1.O1.F3.P2.S3.Cl3.Br1.		16.0	774.9479	+0.1 mmu 
C11.H30.N13.O2.F3.P2.S3.Cl3.Br1.		9.0	774.9484	-0.4 mmu 
C16.H32.N7.O1.F5.P2.S3.Cl3.Br1.		9.0	774.9475	+0.5 mmu 
C13.H33.N7.O2.F6.P2.S3.Cl3.Br1.		5.0	774.9486	-0.6 mmu 
C18.H35.N1.O1.F8.P2.S3.Cl3.Br1.		5.0	774.9477	+0.3 mmu 
C21.H40.N1.O6.P3.S3.Cl3.Br1.		11.0	774.9480	+0.0 mmu 
C15.H33.N11.O1.F1.P3.S3.Cl3.Br1.		13.0	774.9478	+0.2 mmu 
C17.H36.N5.O1.F4.P3.S3.Cl3.Br1.		9.0	774.9480	+0.0 mmu 
C16.H37.N9.O1.P4.S3.Cl3.Br1.		13.0	774.9483	-0.3 mmu 
C21.H39.N3.F2.P4.S3.Cl3.Br1.		13.0	774.9474	+0.6 mmu 
C18.H40.N3.O1.F3.P4.S3.Cl3.Br1.		9.0	774.9485	-0.5 mmu 
C22.H43.N1.F1.P5.S3.Cl3.Br1.		13.0	774.9479	+0.1 mmu 
C12.H33.N9.O10.S4.Cl3.Br1.		7.0	774.9482	-0.2 mmu 
C21.H30.N7.O4.F1.S4.Cl3.Br1.		16.0	774.9475	+0.5 mmu 
C18.H31.N7.O5.F2.S4.Cl3.Br1.		12.0	774.9487	-0.7 mmu 
C17.H35.N3.O9.F2.S4.Cl3.Br1.		7.0	774.9473	+0.7 mmu 
C12.H24.N17.F3.S4.Cl3.Br1.		14.0	774.9484	-0.4 mmu 
C14.H36.N3.O10.F3.S4.Cl3.Br1.		3.0	774.9485	-0.5 mmu 
C23.H33.N1.O4.F4.S4.Cl3.Br1.		12.0	774.9477	+0.3 mmu 
C14.H27.N11.F6.S4.Cl3.Br1.		10.0	774.9487	-0.7 mmu 
C13.H31.N7.O4.F6.S4.Cl3.Br1.		5.0	774.9474	+0.6 mmu 
C15.H34.N1.O4.F9.S4.Cl3.Br1.		1.0	774.9476	+0.4 mmu 
C22.H34.N5.O4.P1.S4.Cl3.Br1.		16.0	774.9480	-0.0 mmu 
C18.H39.N1.O9.F1.P1.S4.Cl3.Br1.		7.0	774.9478	+0.2 mmu 
C12.H32.N11.O4.F2.P1.S4.Cl3.Br1.		9.0	774.9476	+0.4 mmu 
C14.H35.N5.O4.F5.P1.S4.Cl3.Br1.		5.0	774.9479	+0.1 mmu 
C13.H36.N9.O4.F1.P2.S4.Cl3.Br1.		9.0	774.9481	-0.1 mmu 
C18.H38.N3.O3.F3.P2.S4.Cl3.Br1.		9.0	774.9472	+0.8 mmu 
C15.H39.N3.O4.F4.P2.S4.Cl3.Br1.		5.0	774.9484	-0.4 mmu 
C14.H40.N7.O4.P3.S4.Cl3.Br1.		9.0	774.9486	-0.6 mmu 
C19.H42.N1.O3.F2.P3.S4.Cl3.Br1.		9.0	774.9477	+0.3 mmu 
C20.H37.N3.O7.S5.Cl3.Br1.		12.0	774.9484	-0.4 mmu 
C29.H34.N1.O1.F1.S5.Cl3.Br1.		21.0	774.9477	+0.3 mmu 
C14.H30.N13.O2.F1.S5.Cl3.Br1.		14.0	774.9482	-0.2 mmu 
C19.H32.N7.O1.F3.S5.Cl3.Br1.		14.0	774.9473	+0.7 mmu 
C16.H33.N7.O2.F4.S5.Cl3.Br1.		10.0	774.9484	-0.4 mmu 
C21.H35.N1.O1.F6.S5.Cl3.Br1.		10.0	774.9475	+0.5 mmu 
C18.H36.N1.O2.F7.S5.Cl3.Br1.		6.0	774.9487	-0.7 mmu 
C15.H34.N11.O2.P1.S5.Cl3.Br1.		14.0	774.9487	-0.7 mmu 
C14.H38.N7.O6.P1.S5.Cl3.Br1.		9.0	774.9474	+0.6 mmu 
C20.H36.N5.O1.F2.P1.S5.Cl3.Br1.		14.0	774.9478	+0.2 mmu 
C16.H41.N1.O6.F3.P1.S5.Cl3.Br1.		5.0	774.9476	+0.4 mmu 
C21.H40.N3.O1.F1.P2.S5.Cl3.Br1.		14.0	774.9483	-0.3 mmu 
C15.H41.N7.F1.P3.S5.Cl3.Br1.		11.0	774.9473	+0.7 mmu 
C17.H44.N1.F4.P3.S5.Cl3.Br1.		7.0	774.9475	+0.5 mmu 
C18.H39.N3.O4.F2.S6.Cl3.Br1.		10.0	774.9482	-0.2 mmu 
C22.H42.N1.O3.P1.S6.Cl3.Br1.		14.0	774.9476	+0.4 mmu 
C19.H43.N1.O4.F1.P1.S6.Cl3.Br1.		10.0	774.9487	-0.7 mmu 
C14.H38.N9.O1.F1.S7.Cl3.Br1.		12.0	774.9477	+0.3 mmu 
C16.H41.N3.O1.F4.S7.Cl3.Br1.		8.0	774.9480	+0.0 mmu 
C15.H42.N7.O1.P1.S7.Cl3.Br1.		12.0	774.9482	-0.2 mmu 
C20.H44.N1.F2.P1.S7.Cl3.Br1.		12.0	774.9473	+0.7 mmu 
C17.H45.N1.O1.F3.P1.S7.Cl3.Br1.		8.0	774.9485	-0.5 mmu 
C38.H22.N1.O4.Cl4.Br1.		26.0	774.9486	-0.6 mmu 
C22.H22.N9.O9.Cl4.Br1.		14.0	774.9478	+0.2 mmu 
C16.H15.N19.O4.F1.Cl4.Br1.		16.0	774.9476	+0.4 mmu 
C18.H27.N5.O14.F1.Cl4.Br1.		5.0	774.9476	+0.4 mmu 
C28.H20.N7.O4.F2.Cl4.Br1.		19.0	774.9482	-0.2 mmu 
C13.H16.N19.O5.F2.Cl4.Br1.		12.0	774.9487	-0.7 mmu 
C12.H20.N15.O9.F2.Cl4.Br1.		7.0	774.9474	+0.6 mmu 
C15.H28.N5.O15.F2.Cl4.Br1.		1.0	774.9487	-0.7 mmu 
C24.H25.N3.O9.F3.Cl4.Br1.		10.0	774.9480	-0.0 mmu 
C9.H21.N15.O10.F3.Cl4.Br1.		3.0	774.9485	-0.5 mmu 
C33.H22.N1.O3.F4.Cl4.Br1.		19.0	774.9473	+0.7 mmu 
C18.H18.N13.O4.F4.Cl4.Br1.		12.0	774.9478	+0.2 mmu 
C30.H23.N1.O4.F5.Cl4.Br1.		15.0	774.9485	-0.5 mmu 
C14.H23.N9.O9.F5.Cl4.Br1.		3.0	774.9476	+0.4 mmu 
C20.H21.N7.O4.F7.Cl4.Br1.		8.0	774.9481	-0.1 mmu 
C10.H19.N13.O4.F9.Cl4.Br1.		1.0	774.9477	+0.3 mmu 
C22.H24.N1.O4.F10.Cl4.Br1.		4.0	774.9483	-0.3 mmu 
C32.H23.N5.O3.P1.Cl4.Br1.		23.0	774.9476	+0.4 mmu 
C17.H19.N17.O4.P1.Cl4.Br1.		16.0	774.9481	-0.1 mmu 
C19.H31.N3.O14.P1.Cl4.Br1.		5.0	774.9481	-0.1 mmu 
C29.H24.N5.O4.F1.P1.Cl4.Br1.		19.0	774.9487	-0.7 mmu 
C28.H28.N1.O8.F1.P1.Cl4.Br1.		14.0	774.9474	+0.6 mmu 
C13.H24.N13.O9.F1.P1.Cl4.Br1.		7.0	774.9479	+0.1 mmu 
C25.H29.N1.O9.F2.P1.Cl4.Br1.		10.0	774.9485	-0.5 mmu 
C19.H22.N11.O4.F3.P1.Cl4.Br1.		12.0	774.9483	-0.3 mmu 
C15.H27.N7.O9.F4.P1.Cl4.Br1.		3.0	774.9481	-0.1 mmu 
C24.H24.N5.O3.F5.P1.Cl4.Br1.		12.0	774.9474	+0.6 mmu 
C9.H20.N17.O4.F5.P1.Cl4.Br1.		5.0	774.9479	+0.1 mmu 
C21.H25.N5.O4.F6.P1.Cl4.Br1.		8.0	774.9486	-0.6 mmu 
C20.H29.N1.O8.F6.P1.Cl4.Br1.		3.0	774.9472	+0.8 mmu 
C11.H23.N11.O4.F8.P1.Cl4.Br1.		1.0	774.9482	-0.2 mmu 
C16.H25.N5.O3.F10.P1.Cl4.Br1.		1.0	774.9473	+0.7 mmu 
C14.H28.N11.O9.P2.Cl4.Br1.		7.0	774.9484	-0.4 mmu 
C23.H25.N9.O3.F1.P2.Cl4.Br1.		16.0	774.9477	+0.3 mmu 
C19.H30.N5.O8.F2.P2.Cl4.Br1.		7.0	774.9475	+0.5 mmu 
C13.H23.N15.O3.F3.P2.Cl4.Br1.		9.0	774.9473	+0.7 mmu 
C16.H31.N5.O9.F3.P2.Cl4.Br1.		3.0	774.9487	-0.7 mmu 
C25.H28.N3.O3.F4.P2.Cl4.Br1.		12.0	774.9480	+0.0 mmu 
C10.H24.N15.O4.F4.P2.Cl4.Br1.		5.0	774.9485	-0.5 mmu 
C15.H26.N9.O3.F6.P2.Cl4.Br1.		5.0	774.9476	+0.4 mmu 
C12.H27.N9.O4.F7.P2.Cl4.Br1.		1.0	774.9487	-0.7 mmu 
C17.H29.N3.O3.F9.P2.Cl4.Br1.		1.0	774.9478	+0.2 mmu 
C24.H29.N7.O3.P3.Cl4.Br1.		16.0	774.9482	-0.2 mmu 
C20.H34.N3.O8.F1.P3.Cl4.Br1.		7.0	774.9480	-0.0 mmu 
C29.H31.N1.O2.F2.P3.Cl4.Br1.		16.0	774.9473	+0.7 mmu 
C14.H27.N13.O3.F2.P3.Cl4.Br1.		9.0	774.9478	+0.2 mmu 
C26.H32.N1.O3.F3.P3.Cl4.Br1.		12.0	774.9485	-0.5 mmu 
C16.H30.N7.O3.F5.P3.Cl4.Br1.		5.0	774.9481	-0.1 mmu 
C18.H33.N1.O3.F8.P3.Cl4.Br1.		1.0	774.9483	-0.3 mmu 
C21.H38.N1.O8.P4.Cl4.Br1.		7.0	774.9485	-0.5 mmu 
C15.H31.N11.O3.F1.P4.Cl4.Br1.		9.0	774.9483	-0.3 mmu 
C20.H33.N5.O2.F3.P4.Cl4.Br1.		9.0	774.9474	+0.6 mmu 
C17.H34.N5.O3.F4.P4.Cl4.Br1.		5.0	774.9486	-0.6 mmu 
C16.H38.N1.O7.F4.P4.Cl4.Br1.		0.0	774.9472	+0.8 mmu 
C21.H37.N3.O2.F2.P5.Cl4.Br1.		9.0	774.9479	+0.1 mmu 
C25.H40.N1.O1.P6.Cl4.Br1.		13.0	774.9473	+0.7 mmu 
C22.H41.N1.O2.F1.P6.Cl4.Br1.		9.0	774.9485	-0.5 mmu 
C30.H26.N3.O6.S1.Cl4.Br1.		19.0	774.9480	+0.0 mmu 
C15.H22.N15.O7.S1.Cl4.Br1.		12.0	774.9485	-0.5 mmu 
C17.H34.N1.O17.S1.Cl4.Br1.		1.0	774.9485	-0.5 mmu 
C39.H23.N1.F1.S1.Cl4.Br1.		28.0	774.9473	+0.7 mmu 
C24.H19.N13.O1.F1.S1.Cl4.Br1.		21.0	774.9478	+0.2 mmu 
C11.H27.N11.O12.F1.S1.Cl4.Br1.		3.0	774.9483	-0.3 mmu 
C36.H24.N1.O1.F2.S1.Cl4.Br1.		24.0	774.9484	-0.4 mmu 
C20.H24.N9.O6.F2.S1.Cl4.Br1.		12.0	774.9476	+0.4 mmu 
C14.H17.N19.O1.F3.S1.Cl4.Br1.		14.0	774.9474	+0.6 mmu 
C17.H25.N9.O7.F3.S1.Cl4.Br1.		8.0	774.9487	-0.7 mmu 
C16.H29.N5.O11.F3.S1.Cl4.Br1.		3.0	774.9474	+0.6 mmu 
C26.H22.N7.O1.F4.S1.Cl4.Br1.		17.0	774.9480	-0.0 mmu 
C11.H18.N19.O2.F4.S1.Cl4.Br1.		10.0	774.9485	-0.5 mmu 
C22.H27.N3.O6.F5.S1.Cl4.Br1.		8.0	774.9478	+0.2 mmu 
C16.H20.N13.O1.F6.S1.Cl4.Br1.		10.0	774.9476	+0.4 mmu 
C28.H25.N1.O1.F7.S1.Cl4.Br1.		13.0	774.9483	-0.3 mmu 
C13.H21.N13.O2.F7.S1.Cl4.Br1.		6.0	774.9488	-0.8 mmu 
C12.H25.N9.O6.F7.S1.Cl4.Br1.		1.0	774.9474	+0.6 mmu 
C18.H23.N7.O1.F9.S1.Cl4.Br1.		6.0	774.9479	+0.1 mmu 
C20.H26.N1.O1.F12.S1.Cl4.Br1.		2.0	774.9481	-0.1 mmu 
C25.H23.N11.O1.P1.S1.Cl4.Br1.		21.0	774.9483	-0.3 mmu 
C21.H28.N7.O6.F1.P1.S1.Cl4.Br1.		12.0	774.9481	-0.1 mmu 
C30.H25.N5.F2.P1.S1.Cl4.Br1.		21.0	774.9474	+0.6 mmu 
C15.H21.N17.O1.F2.P1.S1.Cl4.Br1.		14.0	774.9479	+0.1 mmu 
C17.H33.N3.O11.F2.P1.S1.Cl4.Br1.		3.0	774.9479	+0.1 mmu 
C27.H26.N5.O1.F3.P1.S1.Cl4.Br1.		17.0	774.9485	-0.5 mmu 
C11.H26.N13.O6.F3.P1.S1.Cl4.Br1.		5.0	774.9477	+0.3 mmu 
C23.H31.N1.O6.F4.P1.S1.Cl4.Br1.		8.0	774.9483	-0.3 mmu 
C17.H24.N11.O1.F5.P1.S1.Cl4.Br1.		10.0	774.9481	-0.1 mmu 
C13.H29.N7.O6.F6.P1.S1.Cl4.Br1.		1.0	774.9479	+0.1 mmu 
C19.H27.N5.O1.F8.P1.S1.Cl4.Br1.		6.0	774.9484	-0.4 mmu 
C19.H24.N15.P2.S1.Cl4.Br1.		18.0	774.9473	+0.7 mmu 
C22.H32.N5.O6.P2.S1.Cl4.Br1.		12.0	774.9486	-0.6 mmu 
C21.H36.N1.O10.P2.S1.Cl4.Br1.		7.0	774.9473	+0.7 mmu 
C31.H29.N3.F1.P2.S1.Cl4.Br1.		21.0	774.9479	+0.1 mmu 
C16.H25.N15.O1.F1.P2.S1.Cl4.Br1.		14.0	774.9484	-0.4 mmu 
C18.H37.N1.O11.F1.P2.S1.Cl4.Br1.		3.0	774.9484	-0.4 mmu 
C12.H30.N11.O6.F2.P2.S1.Cl4.Br1.		5.0	774.9482	-0.2 mmu 
C21.H27.N9.F3.P2.S1.Cl4.Br1.		14.0	774.9475	+0.5 mmu 
C18.H28.N9.O1.F4.P2.S1.Cl4.Br1.		10.0	774.9486	-0.6 mmu 
C17.H32.N5.O5.F4.P2.S1.Cl4.Br1.		5.0	774.9473	+0.7 mmu 
C14.H33.N5.O6.F5.P2.S1.Cl4.Br1.		1.0	774.9484	-0.4 mmu 
C23.H30.N3.F6.P2.S1.Cl4.Br1.		10.0	774.9477	+0.3 mmu 
C13.H28.N9.F8.P2.S1.Cl4.Br1.		3.0	774.9473	+0.7 mmu 
C32.H33.N1.P3.S1.Cl4.Br1.		21.0	774.9484	-0.4 mmu 
C16.H33.N9.O5.P3.S1.Cl4.Br1.		9.0	774.9476	+0.4 mmu 
C10.H26.N19.F1.P3.S1.Cl4.Br1.		11.0	774.9474	+0.6 mmu 
C13.H34.N9.O6.F1.P3.S1.Cl4.Br1.		5.0	774.9487	-0.7 mmu 
C22.H31.N7.F2.P3.S1.Cl4.Br1.		14.0	774.9480	-0.0 mmu 
C18.H36.N3.O5.F3.P3.S1.Cl4.Br1.		5.0	774.9478	+0.2 mmu 
C12.H29.N13.F4.P3.S1.Cl4.Br1.		7.0	774.9476	+0.4 mmu 
C24.H34.N1.F5.P3.S1.Cl4.Br1.		10.0	774.9482	-0.2 mmu 
C14.H32.N7.F7.P3.S1.Cl4.Br1.		3.0	774.9478	+0.2 mmu 
C23.H35.N5.F1.P4.S1.Cl4.Br1.		14.0	774.9485	-0.5 mmu 
C19.H40.N1.O5.F2.P4.S1.Cl4.Br1.		5.0	774.9483	-0.3 mmu 
C13.H33.N11.F3.P4.S1.Cl4.Br1.		7.0	774.9481	-0.1 mmu 
C15.H36.N5.F6.P4.S1.Cl4.Br1.		3.0	774.9484	-0.4 mmu 
C23.H26.N9.O4.S2.Cl4.Br1.		17.0	774.9487	-0.7 mmu 
C22.H30.N5.O8.S2.Cl4.Br1.		12.0	774.9473	+0.7 mmu 
C19.H31.N5.O9.F1.S2.Cl4.Br1.		8.0	774.9485	-0.5 mmu 
C28.H28.N3.O3.F2.S2.Cl4.Br1.		17.0	774.9478	+0.2 mmu 
C13.H24.N15.O4.F2.S2.Cl4.Br1.		10.0	774.9483	-0.3 mmu 
C18.H26.N9.O3.F4.S2.Cl4.Br1.		10.0	774.9474	+0.6 mmu 
C15.H27.N9.O4.F5.S2.Cl4.Br1.		6.0	774.9485	-0.5 mmu 
C20.H29.N3.O3.F7.S2.Cl4.Br1.		6.0	774.9476	+0.4 mmu 
C17.H30.N3.O4.F8.S2.Cl4.Br1.		2.0	774.9487	-0.7 mmu 
C17.H27.N13.O3.P1.S2.Cl4.Br1.		14.0	774.9476	+0.4 mmu 
C29.H32.N1.O3.F1.P1.S2.Cl4.Br1.		17.0	774.9483	-0.3 mmu 
C13.H32.N9.O8.F1.P1.S2.Cl4.Br1.		5.0	774.9474	+0.6 mmu 
C19.H30.N7.O3.F3.P1.S2.Cl4.Br1.		10.0	774.9479	+0.1 mmu 
C15.H35.N3.O8.F4.P1.S2.Cl4.Br1.		1.0	774.9477	+0.3 mmu 
C21.H33.N1.O3.F6.P1.S2.Cl4.Br1.		6.0	774.9481	-0.1 mmu 
C14.H36.N7.O8.P2.S2.Cl4.Br1.		5.0	774.9479	+0.1 mmu 
C23.H33.N5.O2.F1.P2.S2.Cl4.Br1.		14.0	774.9472	+0.8 mmu 
C20.H34.N5.O3.F2.P2.S2.Cl4.Br1.		10.0	774.9484	-0.4 mmu 
C16.H39.N1.O8.F3.P2.S2.Cl4.Br1.		1.0	774.9482	-0.2 mmu 
C24.H37.N3.O2.P3.S2.Cl4.Br1.		14.0	774.9478	+0.2 mmu 
C14.H35.N9.O2.F2.P3.S2.Cl4.Br1.		7.0	774.9474	+0.6 mmu 
C16.H38.N3.O2.F5.P3.S2.Cl4.Br1.		3.0	774.9476	+0.4 mmu 
C15.H39.N7.O2.F1.P4.S2.Cl4.Br1.		7.0	774.9479	+0.1 mmu 
C17.H42.N1.O2.F4.P4.S2.Cl4.Br1.		3.0	774.9481	-0.1 mmu 
C16.H43.N5.O2.P5.S2.Cl4.Br1.		7.0	774.9484	-0.4 mmu 
C15.H30.N11.O6.S3.Cl4.Br1.		10.0	774.9480	-0.0 mmu 
C24.H27.N9.F1.S3.Cl4.Br1.		19.0	774.9473	+0.7 mmu 
C21.H28.N9.O1.F2.S3.Cl4.Br1.		15.0	774.9484	-0.4 mmu 
C17.H33.N5.O6.F3.S3.Cl4.Br1.		6.0	774.9483	-0.3 mmu 
C26.H30.N3.F4.S3.Cl4.Br1.		15.0	774.9475	+0.5 mmu 
C11.H26.N15.O1.F4.S3.Cl4.Br1.		8.0	774.9480	-0.0 mmu 
C23.H31.N3.O1.F5.S3.Cl4.Br1.		11.0	774.9487	-0.7 mmu 
C13.H29.N9.O1.F7.S3.Cl4.Br1.		4.0	774.9483	-0.3 mmu 
C18.H31.N3.F9.S3.Cl4.Br1.		4.0	774.9474	+0.6 mmu 
C15.H32.N3.O1.F10.S3.Cl4.Br1.		0.0	774.9485	-0.5 mmu 
C25.H31.N7.P1.S3.Cl4.Br1.		19.0	774.9478	+0.2 mmu 
C10.H27.N19.O1.P1.S3.Cl4.Br1.		12.0	774.9483	-0.3 mmu 
C21.H36.N3.O5.F1.P1.S3.Cl4.Br1.		10.0	774.9476	+0.4 mmu 
C15.H29.N13.F2.P1.S3.Cl4.Br1.		12.0	774.9474	+0.6 mmu 
C18.H37.N3.O6.F2.P1.S3.Cl4.Br1.		6.0	774.9488	-0.8 mmu 
C27.H34.N1.F3.P1.S3.Cl4.Br1.		15.0	774.9481	-0.1 mmu 
C12.H30.N13.O1.F3.P1.S3.Cl4.Br1.		8.0	774.9486	-0.6 mmu 
C17.H32.N7.F5.P1.S3.Cl4.Br1.		8.0	774.9477	+0.3 mmu 
C19.H35.N1.F8.P1.S3.Cl4.Br1.		4.0	774.9479	+0.1 mmu 
C22.H40.N1.O5.P2.S3.Cl4.Br1.		10.0	774.9481	-0.1 mmu 
C16.H33.N11.F1.P2.S3.Cl4.Br1.		12.0	774.9479	+0.1 mmu 
C18.H36.N5.F4.P2.S3.Cl4.Br1.		8.0	774.9482	-0.2 mmu 
C17.H37.N9.P3.S3.Cl4.Br1.		12.0	774.9484	-0.4 mmu 
C19.H40.N3.F3.P3.S3.Cl4.Br1.		8.0	774.9487	-0.7 mmu 
C23.H34.N5.O3.S4.Cl4.Br1.		15.0	774.9482	-0.2 mmu 
C19.H39.N1.O8.F1.S4.Cl4.Br1.		6.0	774.9480	-0.0 mmu 
C13.H32.N11.O3.F2.S4.Cl4.Br1.		8.0	774.9478	+0.2 mmu 
C15.H35.N5.O3.F5.S4.Cl4.Br1.		4.0	774.9480	-0.0 mmu 
C14.H36.N9.O3.F1.P1.S4.Cl4.Br1.		8.0	774.9483	-0.3 mmu 
C19.H38.N3.O2.F3.P1.S4.Cl4.Br1.		8.0	774.9474	+0.6 mmu 
C16.H39.N3.O3.F4.P1.S4.Cl4.Br1.		4.0	774.9485	-0.5 mmu 
C20.H42.N1.O2.F2.P2.S4.Cl4.Br1.		8.0	774.9479	+0.1 mmu 
C15.H38.N7.O5.S5.Cl4.Br1.		8.0	774.9475	+0.5 mmu 
C21.H36.N5.F2.S5.Cl4.Br1.		13.0	774.9480	+0.0 mmu 
C17.H41.N1.O5.F3.S5.Cl4.Br1.		4.0	774.9478	+0.2 mmu 
C13.H37.N5.F7.S5.Cl4.Br1.		2.0	774.9478	+0.2 mmu 
C22.H40.N3.F1.P1.S5.Cl4.Br1.		13.0	774.9485	-0.5 mmu 
C14.H41.N3.F6.P1.S5.Cl4.Br1.		2.0	774.9483	-0.3 mmu 
C23.H42.N1.O2.S6.Cl4.Br1.		13.0	774.9477	+0.3 mmu 
C15.H43.N1.O2.F5.S6.Cl4.Br1.		2.0	774.9476	+0.4 mmu 
C16.H42.N7.S7.Cl4.Br1.		11.0	774.9484	-0.4 mmu 
C18.H45.N1.F3.S7.Cl4.Br1.		7.0	774.9487	-0.7 mmu 
C33.H23.N5.O2.Cl5.Br1.		22.0	774.9478	+0.2 mmu 
C18.H19.N17.O3.Cl5.Br1.		15.0	774.9483	-0.3 mmu 
C20.H31.N3.O13.Cl5.Br1.		4.0	774.9483	-0.3 mmu 
C29.H28.N1.O7.F1.Cl5.Br1.		13.0	774.9476	+0.4 mmu 
C14.H24.N13.O8.F1.Cl5.Br1.		6.0	774.9481	-0.1 mmu 
C23.H21.N11.O2.F2.Cl5.Br1.		15.0	774.9474	+0.6 mmu 
C26.H29.N1.O8.F2.Cl5.Br1.		9.0	774.9487	-0.7 mmu 
C20.H22.N11.O3.F3.Cl5.Br1.		11.0	774.9485	-0.5 mmu 
C16.H27.N7.O8.F4.Cl5.Br1.		2.0	774.9483	-0.3 mmu 
C25.H24.N5.O2.F5.Cl5.Br1.		11.0	774.9476	+0.4 mmu 
C10.H20.N17.O3.F5.Cl5.Br1.		4.0	774.9481	-0.1 mmu 
C22.H25.N5.O3.F6.Cl5.Br1.		7.0	774.9488	-0.8 mmu 
C21.H29.N1.O7.F6.Cl5.Br1.		2.0	774.9474	+0.6 mmu 
C12.H23.N11.O3.F8.Cl5.Br1.		0.0	774.9484	-0.4 mmu 
C17.H25.N5.O2.F10.Cl5.Br1.		0.0	774.9475	+0.5 mmu 
C12.H20.N21.O2.P1.Cl5.Br1.		12.0	774.9472	+0.8 mmu 
C15.H28.N11.O8.P1.Cl5.Br1.		6.0	774.9486	-0.6 mmu 
C14.H32.N7.O12.P1.Cl5.Br1.		1.0	774.9473	+0.7 mmu 
C24.H25.N9.O2.F1.P1.Cl5.Br1.		15.0	774.9479	+0.1 mmu 
C20.H30.N5.O7.F2.P1.Cl5.Br1.		6.0	774.9477	+0.3 mmu 
C14.H23.N15.O2.F3.P1.Cl5.Br1.		8.0	774.9475	+0.5 mmu 
C26.H28.N3.O2.F4.P1.Cl5.Br1.		11.0	774.9481	-0.1 mmu 
C11.H24.N15.O3.F4.P1.Cl5.Br1.		4.0	774.9486	-0.6 mmu 
C16.H26.N9.O2.F6.P1.Cl5.Br1.		4.0	774.9477	+0.3 mmu 
C18.H29.N3.O2.F9.P1.Cl5.Br1.		0.0	774.9480	+0.0 mmu 
C25.H29.N7.O2.P2.Cl5.Br1.		15.0	774.9484	-0.4 mmu 
C21.H34.N3.O7.F1.P2.Cl5.Br1.		6.0	774.9482	-0.2 mmu 
C30.H31.N1.O1.F2.P2.Cl5.Br1.		15.0	774.9475	+0.5 mmu 
C15.H27.N13.O2.F2.P2.Cl5.Br1.		8.0	774.9480	+0.0 mmu 
C27.H32.N1.O2.F3.P2.Cl5.Br1.		11.0	774.9486	-0.6 mmu 
C17.H30.N7.O2.F5.P2.Cl5.Br1.		4.0	774.9482	-0.2 mmu 
C22.H32.N1.O1.F7.P2.Cl5.Br1.		4.0	774.9473	+0.7 mmu 
C19.H33.N1.O2.F8.P2.Cl5.Br1.		0.0	774.9485	-0.5 mmu 
C19.H30.N11.O1.P3.Cl5.Br1.		12.0	774.9474	+0.6 mmu 
C22.H38.N1.O7.P3.Cl5.Br1.		6.0	774.9487	-0.7 mmu 
C16.H31.N11.O2.F1.P3.Cl5.Br1.		8.0	774.9485	-0.5 mmu 
C21.H33.N5.O1.F3.P3.Cl5.Br1.		8.0	774.9476	+0.4 mmu 
C18.H34.N5.O2.F4.P3.Cl5.Br1.		4.0	774.9487	-0.7 mmu 
C16.H39.N5.O6.P4.Cl5.Br1.		3.0	774.9477	+0.3 mmu 
C22.H37.N3.O1.F2.P4.Cl5.Br1.		8.0	774.9481	-0.1 mmu 
C26.H40.N1.P5.Cl5.Br1.		12.0	774.9475	+0.5 mmu 
C23.H41.N1.O1.F1.P5.Cl5.Br1.		8.0	774.9486	-0.6 mmu 
C18.H41.N1.F5.P5.Cl5.Br1.		1.0	774.9473	+0.7 mmu 
C26.H23.N11.S1.Cl5.Br1.		20.0	774.9485	-0.5 mmu 
C10.H23.N19.O5.S1.Cl5.Br1.		8.0	774.9476	+0.4 mmu 
C22.H28.N7.O5.F1.S1.Cl5.Br1.		11.0	774.9483	-0.3 mmu 
C16.H21.N17.F2.S1.Cl5.Br1.		13.0	774.9481	-0.1 mmu 
C18.H33.N3.O10.F2.S1.Cl5.Br1.		2.0	774.9481	-0.1 mmu 
C28.H26.N5.F3.S1.Cl5.Br1.		16.0	774.9487	-0.7 mmu 
C27.H30.N1.O4.F3.S1.Cl5.Br1.		11.0	774.9474	+0.6 mmu 
C12.H26.N13.O5.F3.S1.Cl5.Br1.		4.0	774.9479	+0.1 mmu 
C24.H31.N1.O5.F4.S1.Cl5.Br1.		7.0	774.9485	-0.5 mmu 
C18.H24.N11.F5.S1.Cl5.Br1.		9.0	774.9483	-0.3 mmu 
C14.H29.N7.O5.F6.S1.Cl5.Br1.		0.0	774.9481	-0.1 mmu 
C20.H27.N5.F8.S1.Cl5.Br1.		5.0	774.9485	-0.5 mmu 
C22.H36.N1.O9.P1.S1.Cl5.Br1.		6.0	774.9474	+0.6 mmu 
C17.H25.N15.F1.P1.S1.Cl5.Br1.		13.0	774.9486	-0.6 mmu 
C16.H29.N11.O4.F1.P1.S1.Cl5.Br1.		8.0	774.9472	+0.8 mmu 
C19.H37.N1.O10.F1.P1.S1.Cl5.Br1.		2.0	774.9486	-0.6 mmu 
C13.H30.N11.O5.F2.P1.S1.Cl5.Br1.		4.0	774.9484	-0.4 mmu 
C18.H32.N5.O4.F4.P1.S1.Cl5.Br1.		4.0	774.9475	+0.5 mmu 
C15.H33.N5.O5.F5.P1.S1.Cl5.Br1.		0.0	774.9486	-0.6 mmu 
C9.H26.N15.F6.P1.S1.Cl5.Br1.		2.0	774.9484	-0.4 mmu 
C17.H33.N9.O4.P2.S1.Cl5.Br1.		8.0	774.9477	+0.3 mmu 
C19.H36.N3.O4.F3.P2.S1.Cl5.Br1.		4.0	774.9480	+0.0 mmu 
C23.H39.N1.O3.F1.P3.S1.Cl5.Br1.		8.0	774.9474	+0.6 mmu 
C20.H40.N1.O4.F2.P3.S1.Cl5.Br1.		4.0	774.9485	-0.5 mmu 
C14.H41.N5.O3.F2.P4.S1.Cl5.Br1.		1.0	774.9475	+0.5 mmu 
C33.H31.N1.O1.S2.Cl5.Br1.		20.0	774.9473	+0.7 mmu 
C18.H27.N13.O2.S2.Cl5.Br1.		13.0	774.9478	+0.2 mmu 
C30.H32.N1.O2.F1.S2.Cl5.Br1.		16.0	774.9485	-0.5 mmu 
C14.H32.N9.O7.F1.S2.Cl5.Br1.		4.0	774.9476	+0.4 mmu 
C11.H33.N9.O8.F2.S2.Cl5.Br1.		0.0	774.9488	-0.8 mmu 
C20.H30.N7.O2.F3.S2.Cl5.Br1.		9.0	774.9481	-0.1 mmu 
C16.H35.N3.O7.F4.S2.Cl5.Br1.		0.0	774.9479	+0.1 mmu 
C10.H28.N13.O2.F5.S2.Cl5.Br1.		2.0	774.9477	+0.3 mmu 
C22.H33.N1.O2.F6.S2.Cl5.Br1.		5.0	774.9483	-0.3 mmu 
C15.H36.N7.O7.P1.S2.Cl5.Br1.		4.0	774.9481	-0.1 mmu 
C24.H33.N5.O1.F1.P1.S2.Cl5.Br1.		13.0	774.9474	+0.6 mmu 
C21.H34.N5.O2.F2.P1.S2.Cl5.Br1.		9.0	774.9486	-0.6 mmu 
C17.H39.N1.O7.F3.P1.S2.Cl5.Br1.		0.0	774.9484	-0.4 mmu 
C11.H32.N11.O2.F4.P1.S2.Cl5.Br1.		2.0	774.9482	-0.2 mmu 
C16.H34.N5.O1.F6.P1.S2.Cl5.Br1.		2.0	774.9473	+0.7 mmu 
C25.H37.N3.O1.P2.S2.Cl5.Br1.		13.0	774.9479	+0.1 mmu 
C15.H35.N9.O1.F2.P2.S2.Cl5.Br1.		6.0	774.9475	+0.5 mmu 
C12.H36.N9.O2.F3.P2.S2.Cl5.Br1.		2.0	774.9487	-0.7 mmu 
C17.H38.N3.O1.F5.P2.S2.Cl5.Br1.		2.0	774.9478	+0.2 mmu 
C16.H39.N7.O1.F1.P3.S2.Cl5.Br1.		6.0	774.9480	-0.0 mmu 
C18.H42.N1.O1.F4.P3.S2.Cl5.Br1.		2.0	774.9483	-0.3 mmu 
C17.H43.N5.O1.P4.S2.Cl5.Br1.		6.0	774.9485	-0.5 mmu 
C11.H27.N19.S3.Cl5.Br1.		11.0	774.9485	-0.5 mmu 
C13.H39.N5.O10.S3.Cl5.Br1.		0.0	774.9485	-0.5 mmu 
C22.H36.N3.O4.F1.S3.Cl5.Br1.		9.0	774.9478	+0.2 mmu 
C13.H30.N13.F3.S3.Cl5.Br1.		7.0	774.9487	-0.7 mmu 
C12.H34.N9.O4.F3.S3.Cl5.Br1.		2.0	774.9474	+0.6 mmu 
C23.H40.N1.O4.P1.S3.Cl5.Br1.		9.0	774.9483	-0.3 mmu 
C13.H38.N7.O4.F2.P1.S3.Cl5.Br1.		2.0	774.9479	+0.1 mmu 
C17.H41.N5.O3.P2.S3.Cl5.Br1.		6.0	774.9473	+0.7 mmu 
C14.H42.N5.O4.F1.P2.S3.Cl5.Br1.		2.0	774.9484	-0.4 mmu 
C18.H35.N9.O1.S4.Cl5.Br1.		11.0	774.9473	+0.7 mmu 
C15.H36.N9.O2.F1.S4.Cl5.Br1.		7.0	774.9485	-0.5 mmu 
C20.H38.N3.O1.F3.S4.Cl5.Br1.		7.0	774.9476	+0.4 mmu 
C17.H39.N3.O2.F4.S4.Cl5.Br1.		3.0	774.9487	-0.7 mmu 
C15.H44.N3.O6.P1.S4.Cl5.Br1.		2.0	774.9477	+0.3 mmu 
C21.H42.N1.O1.F2.P1.S4.Cl5.Br1.		7.0	774.9481	-0.1 mmu 
C16.H47.N3.F1.P3.S4.Cl5.Br1.		4.0	774.9476	+0.4 mmu 
C17.H51.N1.P4.S4.Cl5.Br1.		4.0	774.9481	-0.1 mmu 
C15.H44.N5.O1.F1.S6.Cl5.Br1.		5.0	774.9480	-0.0 mmu 
C16.H48.N3.O1.P1.S6.Cl5.Br1.		5.0	774.9485	-0.5 mmu 
C13.H20.N21.O1.Cl6.Br1.		11.0	774.9474	+0.6 mmu 
C16.H28.N11.O7.Cl6.Br1.		5.0	774.9488	-0.8 mmu 
C15.H32.N7.O11.Cl6.Br1.		0.0	774.9474	+0.6 mmu 
C25.H25.N9.O1.F1.Cl6.Br1.		14.0	774.9481	-0.1 mmu 
C9.H25.N17.O6.F1.Cl6.Br1.		2.0	774.9472	+0.8 mmu 
C21.H30.N5.O6.F2.Cl6.Br1.		5.0	774.9479	+0.1 mmu 
C15.H23.N15.O1.F3.Cl6.Br1.		7.0	774.9477	+0.3 mmu 
C27.H28.N3.O1.F4.Cl6.Br1.		10.0	774.9483	-0.3 mmu 
C17.H26.N9.O1.F6.Cl6.Br1.		3.0	774.9479	+0.1 mmu 
C26.H29.N7.O1.P1.Cl6.Br1.		14.0	774.9486	-0.6 mmu 
C25.H33.N3.O5.P1.Cl6.Br1.		9.0	774.9472	+0.8 mmu 
C10.H29.N15.O6.P1.Cl6.Br1.		2.0	774.9477	+0.3 mmu 
C22.H34.N3.O6.F1.P1.Cl6.Br1.		5.0	774.9484	-0.4 mmu 
C31.H31.N1.F2.P1.Cl6.Br1.		14.0	774.9477	+0.3 mmu 
C16.H27.N13.O1.F2.P1.Cl6.Br1.		7.0	774.9482	-0.2 mmu 
C21.H29.N7.F4.P1.Cl6.Br1.		7.0	774.9473	+0.7 mmu 
C18.H30.N7.O1.F5.P1.Cl6.Br1.		3.0	774.9484	-0.4 mmu 
C23.H32.N1.F7.P1.Cl6.Br1.		3.0	774.9475	+0.5 mmu 
C20.H30.N11.P2.Cl6.Br1.		11.0	774.9475	+0.5 mmu 
C17.H31.N11.O1.F1.P2.Cl6.Br1.		7.0	774.9487	-0.7 mmu 
C16.H35.N7.O5.F1.P2.Cl6.Br1.		2.0	774.9473	+0.7 mmu 
C22.H33.N5.F3.P2.Cl6.Br1.		7.0	774.9478	+0.2 mmu 
C12.H31.N11.F5.P2.Cl6.Br1.		0.0	774.9474	+0.6 mmu 
C17.H39.N5.O5.P3.Cl6.Br1.		2.0	774.9479	+0.1 mmu 
C11.H32.N15.F1.P3.Cl6.Br1.		4.0	774.9477	+0.3 mmu 
C23.H37.N3.F2.P3.Cl6.Br1.		7.0	774.9483	-0.3 mmu 
C13.H35.N9.F4.P3.Cl6.Br1.		0.0	774.9479	+0.1 mmu 
C14.H39.N7.F3.P4.Cl6.Br1.		0.0	774.9484	-0.4 mmu 
C23.H36.N1.O8.S1.Cl6.Br1.		5.0	774.9476	+0.4 mmu 
C17.H29.N11.O3.F1.S1.Cl6.Br1.		7.0	774.9474	+0.6 mmu 
C20.H37.N1.O9.F1.S1.Cl6.Br1.		1.0	774.9488	-0.8 mmu 
C14.H30.N11.O4.F2.S1.Cl6.Br1.		3.0	774.9486	-0.6 mmu 
C19.H32.N5.O3.F4.S1.Cl6.Br1.		3.0	774.9477	+0.3 mmu 
C18.H33.N9.O3.P1.S1.Cl6.Br1.		7.0	774.9479	+0.1 mmu 
C20.H36.N3.O3.F3.P1.S1.Cl6.Br1.		3.0	774.9482	-0.2 mmu 
C24.H39.N1.O2.F1.P2.S1.Cl6.Br1.		7.0	774.9475	+0.5 mmu 
C21.H40.N1.O3.F2.P2.S1.Cl6.Br1.		3.0	774.9487	-0.7 mmu 
C15.H41.N5.O2.F2.P3.S1.Cl6.Br1.		0.0	774.9476	+0.4 mmu 
C16.H45.N3.O2.F1.P4.S1.Cl6.Br1.		0.0	774.9482	-0.2 mmu 
C17.H49.N1.O2.P5.S1.Cl6.Br1.		0.0	774.9487	-0.7 mmu 
C16.H36.N7.O6.S2.Cl6.Br1.		3.0	774.9483	-0.3 mmu 
C25.H33.N5.F1.S2.Cl6.Br1.		12.0	774.9476	+0.4 mmu 
C10.H29.N17.O1.F1.S2.Cl6.Br1.		5.0	774.9481	-0.1 mmu 
C22.H34.N5.O1.F2.S2.Cl6.Br1.		8.0	774.9487	-0.7 mmu 
C21.H38.N1.O5.F2.S2.Cl6.Br1.		3.0	774.9474	+0.6 mmu 
C12.H32.N11.O1.F4.S2.Cl6.Br1.		1.0	774.9483	-0.3 mmu 
C17.H34.N5.F6.S2.Cl6.Br1.		1.0	774.9474	+0.6 mmu 
C26.H37.N3.P1.S2.Cl6.Br1.		12.0	774.9481	-0.1 mmu 
C11.H33.N15.O1.P1.S2.Cl6.Br1.		5.0	774.9486	-0.6 mmu 
C16.H35.N9.F2.P1.S2.Cl6.Br1.		5.0	774.9477	+0.3 mmu 
C18.H38.N3.F5.P1.S2.Cl6.Br1.		1.0	774.9479	+0.1 mmu 
C17.H39.N7.F1.P2.S2.Cl6.Br1.		5.0	774.9482	-0.2 mmu 
C19.H42.N1.F4.P2.S2.Cl6.Br1.		1.0	774.9485	-0.5 mmu 
C18.H43.N5.P3.S2.Cl6.Br1.		5.0	774.9487	-0.7 mmu 
C17.H47.N1.O4.P3.S2.Cl6.Br1.		0.0	774.9474	+0.6 mmu 
C24.H40.N1.O3.S3.Cl6.Br1.		8.0	774.9485	-0.5 mmu 
C14.H38.N7.O3.F2.S3.Cl6.Br1.		1.0	774.9481	-0.1 mmu 
C18.H41.N5.O2.P1.S3.Cl6.Br1.		5.0	774.9475	+0.5 mmu 
C15.H42.N5.O3.F1.P1.S3.Cl6.Br1.		1.0	774.9486	-0.6 mmu 
C16.H44.N3.O5.S4.Cl6.Br1.		1.0	774.9478	+0.2 mmu 
C22.H42.N1.F2.S4.Cl6.Br1.		6.0	774.9483	-0.3 mmu 
C17.H48.N3.S6.Cl6.Br1.		4.0	774.9487	-0.7 mmu 
C27.H29.N7.Cl7.Br1.		13.0	774.9488	-0.8 mmu 
C26.H33.N3.O4.Cl7.Br1.		8.0	774.9474	+0.6 mmu 
C11.H29.N15.O5.Cl7.Br1.		1.0	774.9479	+0.1 mmu 
C23.H34.N3.O5.F1.Cl7.Br1.		4.0	774.9486	-0.6 mmu 
C17.H27.N13.F2.Cl7.Br1.		6.0	774.9484	-0.4 mmu 
C19.H30.N7.F5.Cl7.Br1.		2.0	774.9486	-0.6 mmu 
C17.H35.N7.O4.F1.P1.Cl7.Br1.		1.0	774.9475	+0.5 mmu 
C18.H39.N5.O4.P2.Cl7.Br1.		1.0	774.9480	-0.0 mmu 
C19.H33.N9.O2.S1.Cl7.Br1.		6.0	774.9481	-0.1 mmu 
C21.H36.N3.O2.F3.S1.Cl7.Br1.		2.0	774.9483	-0.3 mmu 
C25.H39.N1.O1.F1.P1.S1.Cl7.Br1.		6.0	774.9477	+0.3 mmu 
C19.H41.N5.O1.S3.Cl7.Br1.		4.0	774.9476	+0.4 mmu 
C16.H42.N5.O2.F1.S3.Cl7.Br1.		0.0	774.9488	-0.8 mmu 
C18.H35.N7.O3.F1.Cl8.Br1.		0.0	774.9477	+0.3 mmu 
C19.H39.N5.O3.P1.Cl8.Br1.		0.0	774.9482	-0.2 mmu 
C14.H34.N13.S1.Cl8.Br1.		2.0	774.9472	+0.8 mmu 
C26.H39.N1.F1.S1.Cl8.Br1.		5.0	774.9479	+0.1 mmu 
C38.H19.N1.O8.Br2.		29.0	774.9477	+0.3 mmu 
C23.H15.N13.O9.Br2.		22.0	774.9482	-0.2 mmu 
C32.H12.N11.O3.F1.Br2.		31.0	774.9475	+0.5 mmu 
C17.H8.N23.O4.F1.Br2.		24.0	774.9480	-0.0 mmu 
C19.H20.N9.O14.F1.Br2.		13.0	774.9480	-0.0 mmu 
C29.H13.N11.O4.F2.Br2.		27.0	774.9487	-0.7 mmu 
C28.H17.N7.O8.F2.Br2.		22.0	774.9473	+0.7 mmu 
C13.H13.N19.O9.F2.Br2.		15.0	774.9478	+0.2 mmu 
C25.H18.N7.O9.F3.Br2.		18.0	774.9485	-0.5 mmu 
C34.H15.N5.O3.F4.Br2.		27.0	774.9478	+0.2 mmu 
C19.H11.N17.O4.F4.Br2.		20.0	774.9483	-0.3 mmu 
C21.H23.N3.O14.F4.Br2.		9.0	774.9483	-0.3 mmu 
C30.H20.N1.O8.F5.Br2.		18.0	774.9476	+0.4 mmu 
C15.H16.N13.O9.F5.Br2.		11.0	774.9481	-0.1 mmu 
C24.H13.N11.O3.F6.Br2.		20.0	774.9474	+0.6 mmu 
C27.H21.N1.O9.F6.Br2.		14.0	774.9487	-0.7 mmu 
C21.H14.N11.O4.F7.Br2.		16.0	774.9485	-0.5 mmu 
C17.H19.N7.O9.F8.Br2.		7.0	774.9483	-0.3 mmu 
C26.H16.N5.O3.F9.Br2.		16.0	774.9476	+0.4 mmu 
C11.H12.N17.O4.F9.Br2.		9.0	774.9481	-0.1 mmu 
C23.H17.N5.O4.F10.Br2.		12.0	774.9488	-0.8 mmu 
C22.H21.N1.O8.F10.Br2.		7.0	774.9474	+0.6 mmu 
C19.H22.N1.O9.F11.Br2.		3.0	774.9486	-0.6 mmu 
C13.H15.N11.O4.F12.Br2.		5.0	774.9484	-0.4 mmu 
C33.H16.N9.O3.P1.Br2.		31.0	774.9480	-0.0 mmu 
C18.H12.N21.O4.P1.Br2.		24.0	774.9485	-0.5 mmu 
C20.H24.N7.O14.P1.Br2.		13.0	774.9486	-0.6 mmu 
C29.H21.N5.O8.F1.P1.Br2.		22.0	774.9479	+0.1 mmu 
C14.H17.N17.O9.F1.P1.Br2.		15.0	774.9484	-0.4 mmu 
C16.H29.N3.O19.F1.P1.Br2.		4.0	774.9484	-0.4 mmu 
C23.H14.N15.O3.F2.P1.Br2.		24.0	774.9476	+0.4 mmu 
C25.H26.N1.O13.F2.P1.Br2.		13.0	774.9477	+0.3 mmu 
C35.H19.N3.O3.F3.P1.Br2.		27.0	774.9483	-0.3 mmu 
C19.H19.N11.O8.F3.P1.Br2.		15.0	774.9475	+0.5 mmu 
C13.H12.N21.O3.F4.P1.Br2.		17.0	774.9472	+0.8 mmu 
C16.H20.N11.O9.F4.P1.Br2.		11.0	774.9486	-0.6 mmu 
C15.H24.N7.O13.F4.P1.Br2.		6.0	774.9473	+0.7 mmu 
C25.H17.N9.O3.F5.P1.Br2.		20.0	774.9479	+0.1 mmu 
C12.H25.N7.O14.F5.P1.Br2.		2.0	774.9484	-0.4 mmu 
C21.H22.N5.O8.F6.P1.Br2.		11.0	774.9477	+0.3 mmu 
C15.H15.N15.O3.F7.P1.Br2.		13.0	774.9475	+0.5 mmu 
C17.H27.N1.O13.F7.P1.Br2.		2.0	774.9475	+0.5 mmu 
C27.H20.N3.O3.F8.P1.Br2.		16.0	774.9481	-0.1 mmu 
C12.H16.N15.O4.F8.P1.Br2.		9.0	774.9486	-0.6 mmu 
C11.H20.N11.O8.F8.P1.Br2.		4.0	774.9473	+0.7 mmu 
C8.H21.N11.O9.F9.P1.Br2.		0.0	774.9484	-0.4 mmu 
C17.H18.N9.O3.F10.P1.Br2.		9.0	774.9477	+0.3 mmu 
C13.H23.N5.O8.F11.P1.Br2.		0.0	774.9475	+0.5 mmu 
C30.H25.N3.O8.P2.Br2.		22.0	774.9484	-0.4 mmu 
C14.H25.N11.O13.P2.Br2.		10.0	774.9475	+0.5 mmu 
C39.H22.N1.O2.F1.P2.Br2.		31.0	774.9477	+0.3 mmu 
C24.H18.N13.O3.F1.P2.Br2.		24.0	774.9482	-0.2 mmu 
C20.H23.N9.O8.F2.P2.Br2.		15.0	774.9480	+0.0 mmu 
C29.H20.N7.O2.F3.P2.Br2.		24.0	774.9473	+0.7 mmu 
C14.H16.N19.O3.F3.P2.Br2.		17.0	774.9478	+0.2 mmu 
C16.H28.N5.O13.F3.P2.Br2.		6.0	774.9478	+0.2 mmu 
C26.H21.N7.O3.F4.P2.Br2.		20.0	774.9484	-0.4 mmu 
C10.H21.N15.O8.F4.P2.Br2.		8.0	774.9476	+0.4 mmu 
C22.H26.N3.O8.F5.P2.Br2.		11.0	774.9482	-0.2 mmu 
C31.H23.N1.O2.F6.P2.Br2.		20.0	774.9475	+0.5 mmu 
C16.H19.N13.O3.F6.P2.Br2.		13.0	774.9480	+0.0 mmu 
C28.H24.N1.O3.F7.P2.Br2.		16.0	774.9486	-0.6 mmu 
C12.H24.N9.O8.F7.P2.Br2.		4.0	774.9478	+0.2 mmu 
C18.H22.N7.O3.F9.P2.Br2.		9.0	774.9482	-0.2 mmu 
C14.H27.N3.O8.F10.P2.Br2.		0.0	774.9480	-0.0 mmu 
C23.H24.N1.O2.F11.P2.Br2.		9.0	774.9473	+0.7 mmu 
C8.H20.N13.O3.F11.P2.Br2.		2.0	774.9478	+0.2 mmu 
C20.H25.N1.O3.F12.P2.Br2.		5.0	774.9485	-0.5 mmu 
C25.H22.N11.O3.P3.Br2.		24.0	774.9487	-0.7 mmu 
C24.H26.N7.O7.P3.Br2.		19.0	774.9473	+0.7 mmu 
C21.H27.N7.O8.F1.P3.Br2.		15.0	774.9485	-0.5 mmu 
C30.H24.N5.O2.F2.P3.Br2.		24.0	774.9478	+0.2 mmu 
C15.H20.N17.O3.F2.P3.Br2.		17.0	774.9483	-0.3 mmu 
C17.H32.N3.O13.F2.P3.Br2.		6.0	774.9483	-0.3 mmu 
C26.H29.N1.O7.F3.P3.Br2.		15.0	774.9476	+0.4 mmu 
C11.H25.N13.O8.F3.P3.Br2.		8.0	774.9481	-0.1 mmu 
C20.H22.N11.O2.F4.P3.Br2.		17.0	774.9474	+0.6 mmu 
C23.H30.N1.O8.F4.P3.Br2.		11.0	774.9487	-0.7 mmu 
C17.H23.N11.O3.F5.P3.Br2.		13.0	774.9485	-0.5 mmu 
C13.H28.N7.O8.F6.P3.Br2.		4.0	774.9483	-0.3 mmu 
C22.H25.N5.O2.F7.P3.Br2.		13.0	774.9476	+0.4 mmu 
C19.H26.N5.O3.F8.P3.Br2.		9.0	774.9488	-0.8 mmu 
C18.H30.N1.O7.F8.P3.Br2.		4.0	774.9474	+0.6 mmu 
C15.H31.N1.O8.F9.P3.Br2.		0.0	774.9486	-0.6 mmu 
C14.H26.N5.O2.F12.P3.Br2.		2.0	774.9474	+0.6 mmu 
C19.H23.N15.O2.P4.Br2.		21.0	774.9476	+0.4 mmu 
C21.H35.N1.O12.P4.Br2.		10.0	774.9476	+0.4 mmu 
C31.H28.N3.O2.F1.P4.Br2.		24.0	774.9483	-0.3 mmu 
C15.H28.N11.O7.F1.P4.Br2.		12.0	774.9474	+0.6 mmu 
C21.H26.N9.O2.F3.P4.Br2.		17.0	774.9479	+0.1 mmu 
C17.H31.N5.O7.F4.P4.Br2.		8.0	774.9477	+0.3 mmu 
C23.H29.N3.O2.F6.P4.Br2.		13.0	774.9481	-0.1 mmu 
C13.H27.N9.O2.F8.P4.Br2.		6.0	774.9477	+0.3 mmu 
C15.H30.N3.O2.F11.P4.Br2.		2.0	774.9480	+0.0 mmu 
C16.H32.N9.O7.P5.Br2.		12.0	774.9480	+0.0 mmu 
C25.H29.N7.O1.F1.P5.Br2.		21.0	774.9472	+0.8 mmu 
C22.H30.N7.O2.F2.P5.Br2.		17.0	774.9484	-0.4 mmu 
C18.H35.N3.O7.F3.P5.Br2.		8.0	774.9482	-0.2 mmu 
C27.H32.N1.O1.F4.P5.Br2.		17.0	774.9475	+0.5 mmu 
C24.H33.N1.O2.F5.P5.Br2.		13.0	774.9486	-0.6 mmu 
C19.H33.N1.O1.F9.P5.Br2.		6.0	774.9473	+0.7 mmu 
C16.H34.N1.O2.F10.P5.Br2.		2.0	774.9485	-0.5 mmu 
C26.H33.N5.O1.P6.Br2.		21.0	774.9478	+0.2 mmu 
C22.H38.N1.O6.F1.P6.Br2.		12.0	774.9476	+0.4 mmu 
C19.H39.N1.O7.F2.P6.Br2.		8.0	774.9487	-0.7 mmu 
C31.H19.N7.O6.S1.Br2.		27.0	774.9484	-0.4 mmu 
C15.H19.N15.O11.S1.Br2.		15.0	774.9476	+0.4 mmu 
C40.H16.N5.F1.S1.Br2.		36.0	774.9477	+0.3 mmu 
C25.H12.N17.O1.F1.S1.Br2.		29.0	774.9482	-0.2 mmu 
C27.H24.N3.O11.F1.S1.Br2.		18.0	774.9482	-0.2 mmu 
C12.H20.N15.O12.F1.S1.Br2.		11.0	774.9487	-0.7 mmu 
C36.H21.N1.O5.F2.S1.Br2.		27.0	774.9475	+0.5 mmu 
C21.H17.N13.O6.F2.S1.Br2.		20.0	774.9480	-0.0 mmu 
C30.H14.N11.F3.S1.Br2.		29.0	774.9473	+0.7 mmu 
C15.H10.N23.O1.F3.S1.Br2.		22.0	774.9478	+0.2 mmu 
C33.H22.N1.O6.F3.S1.Br2.		23.0	774.9487	-0.7 mmu 
C17.H22.N9.O11.F3.S1.Br2.		11.0	774.9478	+0.2 mmu 
C27.H15.N11.O1.F4.S1.Br2.		25.0	774.9485	-0.5 mmu 
C11.H15.N19.O6.F4.S1.Br2.		13.0	774.9476	+0.4 mmu 
C23.H20.N7.O6.F5.S1.Br2.		16.0	774.9483	-0.3 mmu 
C32.H17.N5.F6.S1.Br2.		25.0	774.9476	+0.4 mmu 
C17.H13.N17.O1.F6.S1.Br2.		18.0	774.9481	-0.1 mmu 
C19.H25.N3.O11.F6.S1.Br2.		7.0	774.9481	-0.1 mmu 
C29.H18.N5.O1.F7.S1.Br2.		21.0	774.9487	-0.7 mmu 
C28.H22.N1.O5.F7.S1.Br2.		16.0	774.9474	+0.6 mmu 
C13.H18.N13.O6.F7.S1.Br2.		9.0	774.9479	+0.1 mmu 
C25.H23.N1.O6.F8.S1.Br2.		12.0	774.9485	-0.5 mmu 
C19.H16.N11.O1.F9.S1.Br2.		14.0	774.9483	-0.3 mmu 
C15.H21.N7.O6.F10.S1.Br2.		5.0	774.9481	-0.1 mmu 
C24.H18.N5.F11.S1.Br2.		14.0	774.9474	+0.6 mmu 
C9.H14.N17.O1.F11.S1.Br2.		7.0	774.9479	+0.1 mmu 
C21.H19.N5.O1.F12.S1.Br2.		10.0	774.9485	-0.5 mmu 
C41.H20.N3.P1.S1.Br2.		36.0	774.9482	-0.2 mmu 
C26.H16.N15.O1.P1.S1.Br2.		29.0	774.9487	-0.7 mmu 
C25.H20.N11.O5.P1.S1.Br2.		24.0	774.9474	+0.6 mmu 
C28.H28.N1.O11.P1.S1.Br2.		18.0	774.9487	-0.7 mmu 
C22.H21.N11.O6.F1.P1.S1.Br2.		20.0	774.9485	-0.5 mmu 
C31.H18.N9.F2.P1.S1.Br2.		29.0	774.9478	+0.2 mmu 
C16.H14.N21.O1.F2.P1.S1.Br2.		22.0	774.9483	-0.3 mmu 
C18.H26.N7.O11.F2.P1.S1.Br2.		11.0	774.9483	-0.3 mmu 
C27.H23.N5.O5.F3.P1.S1.Br2.		20.0	774.9476	+0.4 mmu 
C12.H19.N17.O6.F3.P1.S1.Br2.		13.0	774.9481	-0.1 mmu 
C14.H31.N3.O16.F3.P1.S1.Br2.		2.0	774.9481	-0.1 mmu 
C21.H16.N15.F4.P1.S1.Br2.		22.0	774.9474	+0.6 mmu 
C23.H28.N1.O10.F4.P1.S1.Br2.		11.0	774.9474	+0.6 mmu 
C33.H21.N3.F5.P1.S1.Br2.		25.0	774.9481	-0.1 mmu 
C18.H17.N15.O1.F5.P1.S1.Br2.		18.0	774.9486	-0.6 mmu 
C17.H21.N11.O5.F5.P1.S1.Br2.		13.0	774.9472	+0.8 mmu 
C20.H29.N1.O11.F5.P1.S1.Br2.		7.0	774.9486	-0.6 mmu 
C14.H22.N11.O6.F6.P1.S1.Br2.		9.0	774.9484	-0.4 mmu 
C23.H19.N9.F7.P1.S1.Br2.		18.0	774.9477	+0.3 mmu 
C10.H27.N7.O11.F7.P1.S1.Br2.		0.0	774.9482	-0.2 mmu 
C19.H24.N5.O5.F8.P1.S1.Br2.		9.0	774.9475	+0.5 mmu 
C13.H17.N15.F9.P1.S1.Br2.		11.0	774.9473	+0.7 mmu 
C16.H25.N5.O6.F9.P1.S1.Br2.		5.0	774.9486	-0.6 mmu 
C15.H29.N1.O10.F9.P1.S1.Br2.		0.0	774.9473	+0.7 mmu 
C25.H22.N3.F10.P1.S1.Br2.		14.0	774.9479	+0.1 mmu 
C10.H18.N15.O1.F10.P1.S1.Br2.		7.0	774.9484	-0.4 mmu 
C15.H20.N9.F12.P1.S1.Br2.		7.0	774.9475	+0.5 mmu 
C20.H17.N19.P2.S1.Br2.		26.0	774.9477	+0.3 mmu 
C22.H29.N5.O10.P2.S1.Br2.		15.0	774.9477	+0.3 mmu 
C32.H22.N7.F1.P2.S1.Br2.		29.0	774.9483	-0.3 mmu 
C16.H22.N15.O5.F1.P2.S1.Br2.		17.0	774.9475	+0.5 mmu 
C18.H34.N1.O15.F1.P2.S1.Br2.		6.0	774.9475	+0.5 mmu 
C28.H27.N3.O5.F2.P2.S1.Br2.		20.0	774.9481	-0.1 mmu 
C13.H23.N15.O6.F2.P2.S1.Br2.		13.0	774.9486	-0.6 mmu 
C12.H27.N11.O10.F2.P2.S1.Br2.		8.0	774.9473	+0.7 mmu 
C15.H35.N1.O16.F2.P2.S1.Br2.		2.0	774.9487	-0.7 mmu 
C22.H20.N13.F3.P2.S1.Br2.		22.0	774.9479	+0.1 mmu 
C34.H25.N1.F4.P2.S1.Br2.		25.0	774.9486	-0.6 mmu 
C18.H25.N9.O5.F4.P2.S1.Br2.		13.0	774.9477	+0.3 mmu 
C12.H18.N19.F5.P2.S1.Br2.		15.0	774.9475	+0.5 mmu 
C14.H30.N5.O10.F5.P2.S1.Br2.		4.0	774.9476	+0.4 mmu 
C24.H23.N7.F6.P2.S1.Br2.		18.0	774.9482	-0.2 mmu 
C8.H23.N15.O5.F6.P2.S1.Br2.		6.0	774.9473	+0.7 mmu 
C11.H31.N5.O11.F6.P2.S1.Br2.		0.0	774.9487	-0.7 mmu 
C20.H28.N3.O5.F7.P2.S1.Br2.		9.0	774.9480	+0.0 mmu 
C14.H21.N13.F8.P2.S1.Br2.		11.0	774.9478	+0.2 mmu 
C26.H26.N1.F9.P2.S1.Br2.		14.0	774.9484	-0.4 mmu 
C10.H26.N9.O5.F9.P2.S1.Br2.		2.0	774.9476	+0.4 mmu 
C16.H24.N7.F11.P2.S1.Br2.		7.0	774.9480	-0.0 mmu 
C32.H30.N1.O4.P3.S1.Br2.		24.0	774.9475	+0.5 mmu 
C17.H26.N13.O5.P3.S1.Br2.		17.0	774.9480	-0.0 mmu 
C29.H31.N1.O5.F1.P3.S1.Br2.		20.0	774.9487	-0.7 mmu 
C13.H31.N9.O10.F1.P3.S1.Br2.		8.0	774.9478	+0.2 mmu 
C23.H24.N11.F2.P3.S1.Br2.		22.0	774.9485	-0.5 mmu 
C19.H29.N7.O5.F3.P3.S1.Br2.		13.0	774.9483	-0.3 mmu 
C13.H22.N17.F4.P3.S1.Br2.		15.0	774.9481	-0.1 mmu 
C15.H34.N3.O10.F4.P3.S1.Br2.		4.0	774.9481	-0.1 mmu 
C25.H27.N5.F5.P3.S1.Br2.		18.0	774.9487	-0.7 mmu 
C24.H31.N1.O4.F5.P3.S1.Br2.		13.0	774.9474	+0.6 mmu 
C21.H32.N1.O5.F6.P3.S1.Br2.		9.0	774.9485	-0.5 mmu 
C15.H25.N11.F7.P3.S1.Br2.		11.0	774.9483	-0.3 mmu 
C11.H30.N7.O5.F8.P3.S1.Br2.		2.0	774.9481	-0.1 mmu 
C17.H28.N5.F10.P3.S1.Br2.		7.0	774.9485	-0.5 mmu 
C14.H35.N7.O10.P4.S1.Br2.		8.0	774.9483	-0.3 mmu 
C23.H32.N5.O4.F1.P4.S1.Br2.		17.0	774.9476	+0.4 mmu 
C20.H33.N5.O5.F2.P4.S1.Br2.		13.0	774.9488	-0.8 mmu 
C19.H37.N1.O9.F2.P4.S1.Br2.		8.0	774.9474	+0.6 mmu 
C14.H26.N15.F3.P4.S1.Br2.		15.0	774.9486	-0.6 mmu 
C16.H38.N1.O10.F3.P4.S1.Br2.		4.0	774.9486	-0.6 mmu 
C15.H33.N5.O4.F6.P4.S1.Br2.		6.0	774.9475	+0.5 mmu 
C24.H36.N3.O4.P5.S1.Br2.		17.0	774.9481	-0.1 mmu 
C16.H37.N3.O4.F5.P5.S1.Br2.		6.0	774.9480	+0.0 mmu 
C20.H40.N1.O3.F3.P6.S1.Br2.		10.0	774.9473	+0.7 mmu 
C39.H23.N1.O3.S2.Br2.		32.0	774.9486	-0.6 mmu 
C23.H23.N9.O8.S2.Br2.		20.0	774.9478	+0.2 mmu 
C17.H16.N19.O3.F1.S2.Br2.		22.0	774.9476	+0.4 mmu 
C19.H28.N5.O13.F1.S2.Br2.		11.0	774.9476	+0.4 mmu 
C29.H21.N7.O3.F2.S2.Br2.		25.0	774.9482	-0.2 mmu 
C14.H17.N19.O4.F2.S2.Br2.		18.0	774.9487	-0.7 mmu 
C13.H21.N15.O8.F2.S2.Br2.		13.0	774.9474	+0.6 mmu 
C16.H29.N5.O14.F2.S2.Br2.		7.0	774.9487	-0.7 mmu 
C15.H33.N1.O18.F2.S2.Br2.		2.0	774.9474	+0.6 mmu 
C25.H26.N3.O8.F3.S2.Br2.		16.0	774.9480	-0.0 mmu 
C10.H22.N15.O9.F3.S2.Br2.		9.0	774.9485	-0.5 mmu 
C34.H23.N1.O2.F4.S2.Br2.		25.0	774.9473	+0.7 mmu 
C19.H19.N13.O3.F4.S2.Br2.		18.0	774.9478	+0.2 mmu 
C31.H24.N1.O3.F5.S2.Br2.		21.0	774.9485	-0.5 mmu 
C15.H24.N9.O8.F5.S2.Br2.		9.0	774.9476	+0.4 mmu 
C12.H25.N9.O9.F6.S2.Br2.		5.0	774.9488	-0.8 mmu 
C11.H29.N5.O13.F6.S2.Br2.		0.0	774.9474	+0.6 mmu 
C21.H22.N7.O3.F7.S2.Br2.		14.0	774.9481	-0.1 mmu 
C17.H27.N3.O8.F8.S2.Br2.		5.0	774.9479	+0.1 mmu 
C11.H20.N13.O3.F9.S2.Br2.		7.0	774.9477	+0.3 mmu 
C23.H25.N1.O3.F10.S2.Br2.		10.0	774.9483	-0.3 mmu 
C13.H23.N7.O3.F12.S2.Br2.		3.0	774.9479	+0.1 mmu 
C33.H24.N5.O2.P1.S2.Br2.		29.0	774.9476	+0.4 mmu 
C18.H20.N17.O3.P1.S2.Br2.		22.0	774.9481	-0.1 mmu 
C20.H32.N3.O13.P1.S2.Br2.		11.0	774.9481	-0.1 mmu 
C30.H25.N5.O3.F1.P1.S2.Br2.		25.0	774.9487	-0.7 mmu 
C29.H29.N1.O7.F1.P1.S2.Br2.		20.0	774.9474	+0.6 mmu 
C14.H25.N13.O8.F1.P1.S2.Br2.		13.0	774.9479	+0.1 mmu 
C26.H30.N1.O8.F2.P1.S2.Br2.		16.0	774.9485	-0.5 mmu 
C20.H23.N11.O3.F3.P1.S2.Br2.		18.0	774.9483	-0.3 mmu 
C16.H28.N7.O8.F4.P1.S2.Br2.		9.0	774.9481	-0.1 mmu 
C25.H25.N5.O2.F5.P1.S2.Br2.		18.0	774.9474	+0.6 mmu 
C10.H21.N17.O3.F5.P1.S2.Br2.		11.0	774.9479	+0.1 mmu 
C12.H33.N3.O13.F5.P1.S2.Br2.		0.0	774.9479	+0.1 mmu 
C22.H26.N5.O3.F6.P1.S2.Br2.		14.0	774.9486	-0.6 mmu 
C18.H31.N1.O8.F7.P1.S2.Br2.		5.0	774.9484	-0.4 mmu 
C12.H24.N11.O3.F8.P1.S2.Br2.		7.0	774.9482	-0.2 mmu 
C17.H26.N5.O2.F10.P1.S2.Br2.		7.0	774.9473	+0.7 mmu 
C14.H27.N5.O3.F11.P1.S2.Br2.		3.0	774.9484	-0.4 mmu 
C15.H29.N11.O8.P2.S2.Br2.		13.0	774.9484	-0.4 mmu 
C24.H26.N9.O2.F1.P2.S2.Br2.		22.0	774.9477	+0.3 mmu 
C20.H31.N5.O7.F2.P2.S2.Br2.		13.0	774.9475	+0.5 mmu 
C14.H24.N15.O2.F3.P2.S2.Br2.		15.0	774.9473	+0.7 mmu 
C17.H32.N5.O8.F3.P2.S2.Br2.		9.0	774.9486	-0.6 mmu 
C16.H36.N1.O12.F3.P2.S2.Br2.		4.0	774.9473	+0.7 mmu 
C26.H29.N3.O2.F4.P2.S2.Br2.		18.0	774.9479	+0.1 mmu 
C11.H25.N15.O3.F4.P2.S2.Br2.		11.0	774.9484	-0.4 mmu 
C13.H37.N1.O13.F4.P2.S2.Br2.		0.0	774.9484	-0.4 mmu 
C16.H27.N9.O2.F6.P2.S2.Br2.		11.0	774.9475	+0.5 mmu 
C13.H28.N9.O3.F7.P2.S2.Br2.		7.0	774.9487	-0.7 mmu 
C12.H32.N5.O7.F7.P2.S2.Br2.		2.0	774.9473	+0.7 mmu 
C18.H30.N3.O2.F9.P2.S2.Br2.		7.0	774.9478	+0.2 mmu 
C25.H30.N7.O2.P3.S2.Br2.		22.0	774.9482	-0.2 mmu 
C10.H26.N19.O3.P3.S2.Br2.		15.0	774.9487	-0.7 mmu 
C21.H35.N3.O7.F1.P3.S2.Br2.		13.0	774.9480	-0.0 mmu 
C30.H32.N1.O1.F2.P3.S2.Br2.		22.0	774.9473	+0.7 mmu 
C15.H28.N13.O2.F2.P3.S2.Br2.		15.0	774.9478	+0.2 mmu 
C27.H33.N1.O2.F3.P3.S2.Br2.		18.0	774.9484	-0.4 mmu 
C11.H33.N9.O7.F3.P3.S2.Br2.		6.0	774.9476	+0.4 mmu 
C17.H31.N7.O2.F5.P3.S2.Br2.		11.0	774.9480	-0.0 mmu 
C13.H36.N3.O7.F6.P3.S2.Br2.		2.0	774.9478	+0.2 mmu 
C19.H34.N1.O2.F8.P3.S2.Br2.		7.0	774.9483	-0.3 mmu 
C22.H39.N1.O7.P4.S2.Br2.		13.0	774.9485	-0.5 mmu 
C16.H32.N11.O2.F1.P4.S2.Br2.		15.0	774.9483	-0.3 mmu 
C21.H34.N5.O1.F3.P4.S2.Br2.		15.0	774.9474	+0.6 mmu 
C18.H35.N5.O2.F4.P4.S2.Br2.		11.0	774.9486	-0.6 mmu 
C14.H40.N1.O7.F5.P4.S2.Br2.		2.0	774.9484	-0.4 mmu 
C13.H35.N5.O1.F8.P4.S2.Br2.		4.0	774.9472	+0.8 mmu 
C16.H40.N5.O6.P5.S2.Br2.		10.0	774.9475	+0.5 mmu 
C22.H38.N3.O1.F2.P5.S2.Br2.		15.0	774.9479	+0.1 mmu 
C26.H41.N1.P6.S2.Br2.		19.0	774.9473	+0.7 mmu 
C23.H42.N1.O1.F1.P6.S2.Br2.		15.0	774.9484	-0.4 mmu 
C31.H27.N3.O5.S3.Br2.		25.0	774.9480	+0.0 mmu 
C16.H23.N15.O6.S3.Br2.		18.0	774.9485	-0.5 mmu 
C18.H35.N1.O16.S3.Br2.		7.0	774.9485	-0.5 mmu 
C25.H20.N13.F1.S3.Br2.		27.0	774.9478	+0.2 mmu 
C12.H28.N11.O11.F1.S3.Br2.		9.0	774.9483	-0.3 mmu 
C37.H25.N1.F2.S3.Br2.		30.0	774.9484	-0.4 mmu 
C21.H25.N9.O5.F2.S3.Br2.		18.0	774.9476	+0.4 mmu 
C15.H18.N19.F3.S3.Br2.		20.0	774.9474	+0.6 mmu 
C18.H26.N9.O6.F3.S3.Br2.		14.0	774.9487	-0.7 mmu 
C17.H30.N5.O10.F3.S3.Br2.		9.0	774.9474	+0.6 mmu 
C27.H23.N7.F4.S3.Br2.		23.0	774.9480	+0.0 mmu 
C12.H19.N19.O1.F4.S3.Br2.		16.0	774.9485	-0.5 mmu 
C14.H31.N5.O11.F4.S3.Br2.		5.0	774.9485	-0.5 mmu 
C23.H28.N3.O5.F5.S3.Br2.		14.0	774.9478	+0.2 mmu 
C8.H24.N15.O6.F5.S3.Br2.		7.0	774.9483	-0.3 mmu 
C17.H21.N13.F6.S3.Br2.		16.0	774.9476	+0.4 mmu 
C29.H26.N1.F7.S3.Br2.		19.0	774.9482	-0.2 mmu 
C14.H22.N13.O1.F7.S3.Br2.		12.0	774.9487	-0.7 mmu 
C13.H26.N9.O5.F7.S3.Br2.		7.0	774.9474	+0.6 mmu 
C10.H27.N9.O6.F8.S3.Br2.		3.0	774.9485	-0.5 mmu 
C19.H24.N7.F9.S3.Br2.		12.0	774.9478	+0.2 mmu 
C15.H29.N3.O5.F10.S3.Br2.		3.0	774.9476	+0.4 mmu 
C9.H22.N13.F11.S3.Br2.		5.0	774.9474	+0.6 mmu 
C21.H27.N1.F12.S3.Br2.		8.0	774.9481	-0.1 mmu 
C26.H24.N11.P1.S3.Br2.		27.0	774.9483	-0.3 mmu 
C10.H24.N19.O5.P1.S3.Br2.		15.0	774.9474	+0.6 mmu 
C22.H29.N7.O5.F1.P1.S3.Br2.		18.0	774.9481	-0.1 mmu 
C16.H22.N17.F2.P1.S3.Br2.		20.0	774.9479	+0.1 mmu 
C18.H34.N3.O10.F2.P1.S3.Br2.		9.0	774.9479	+0.1 mmu 
C28.H27.N5.F3.P1.S3.Br2.		23.0	774.9485	-0.5 mmu 
C12.H27.N13.O5.F3.P1.S3.Br2.		11.0	774.9477	+0.3 mmu 
C24.H32.N1.O5.F4.P1.S3.Br2.		14.0	774.9483	-0.3 mmu 
C18.H25.N11.F5.P1.S3.Br2.		16.0	774.9481	-0.1 mmu 
C14.H30.N7.O5.F6.P1.S3.Br2.		7.0	774.9479	+0.1 mmu 
C20.H28.N5.F8.P1.S3.Br2.		12.0	774.9483	-0.3 mmu 
C16.H33.N1.O5.F9.P1.S3.Br2.		3.0	774.9482	-0.2 mmu 
C10.H26.N11.F10.P1.S3.Br2.		5.0	774.9479	+0.1 mmu 
C23.H33.N5.O5.P2.S3.Br2.		18.0	774.9486	-0.6 mmu 
C22.H37.N1.O9.P2.S3.Br2.		13.0	774.9472	+0.8 mmu 
C17.H26.N15.F1.P2.S3.Br2.		20.0	774.9484	-0.4 mmu 
C19.H38.N1.O10.F1.P2.S3.Br2.		9.0	774.9484	-0.4 mmu 
C13.H31.N11.O5.F2.P2.S3.Br2.		11.0	774.9482	-0.2 mmu 
C19.H29.N9.F4.P2.S3.Br2.		16.0	774.9486	-0.6 mmu 
C18.H33.N5.O4.F4.P2.S3.Br2.		11.0	774.9473	+0.7 mmu 
C15.H34.N5.O5.F5.P2.S3.Br2.		7.0	774.9484	-0.4 mmu 
C9.H27.N15.F6.P2.S3.Br2.		9.0	774.9482	-0.2 mmu 
C11.H30.N9.F9.P2.S3.Br2.		5.0	774.9485	-0.5 mmu 
C13.H33.N3.F12.P2.S3.Br2.		1.0	774.9487	-0.7 mmu 
C17.H34.N9.O4.P3.S3.Br2.		15.0	774.9475	+0.5 mmu 
C14.H35.N9.O5.F1.P3.S3.Br2.		11.0	774.9487	-0.7 mmu 
C13.H39.N5.O9.F1.P3.S3.Br2.		6.0	774.9474	+0.6 mmu 
C19.H37.N3.O4.F3.P3.S3.Br2.		11.0	774.9478	+0.2 mmu 
C20.H41.N1.O4.F2.P4.S3.Br2.		11.0	774.9483	-0.3 mmu 
C24.H27.N9.O3.S4.Br2.		23.0	774.9486	-0.6 mmu 
C23.H31.N5.O7.S4.Br2.		18.0	774.9473	+0.7 mmu 
C20.H32.N5.O8.F1.S4.Br2.		14.0	774.9484	-0.4 mmu 
C29.H29.N3.O2.F2.S4.Br2.		23.0	774.9477	+0.3 mmu 
C14.H25.N15.O3.F2.S4.Br2.		16.0	774.9482	-0.2 mmu 
C16.H37.N1.O13.F2.S4.Br2.		5.0	774.9483	-0.3 mmu 
C10.H30.N11.O8.F3.S4.Br2.		7.0	774.9480	-0.0 mmu 
C19.H27.N9.O2.F4.S4.Br2.		16.0	774.9473	+0.7 mmu 
C16.H28.N9.O3.F5.S4.Br2.		12.0	774.9485	-0.5 mmu 
C12.H33.N5.O8.F6.S4.Br2.		3.0	774.9483	-0.3 mmu 
C21.H30.N3.O2.F7.S4.Br2.		12.0	774.9476	+0.4 mmu 
C18.H31.N3.O3.F8.S4.Br2.		8.0	774.9487	-0.7 mmu 
C13.H31.N3.O2.F12.S4.Br2.		1.0	774.9474	+0.6 mmu 
C18.H28.N13.O2.P1.S4.Br2.		20.0	774.9476	+0.4 mmu 
C30.H33.N1.O2.F1.P1.S4.Br2.		23.0	774.9483	-0.3 mmu 
C15.H29.N13.O3.F1.P1.S4.Br2.		16.0	774.9488	-0.8 mmu 
C14.H33.N9.O7.F1.P1.S4.Br2.		11.0	774.9474	+0.6 mmu 
C20.H31.N7.O2.F3.P1.S4.Br2.		16.0	774.9479	+0.1 mmu 
C16.H36.N3.O7.F4.P1.S4.Br2.		7.0	774.9477	+0.3 mmu 
C10.H29.N13.O2.F5.P1.S4.Br2.		9.0	774.9475	+0.5 mmu 
C22.H34.N1.O2.F6.P1.S4.Br2.		12.0	774.9481	-0.1 mmu 
C12.H32.N7.O2.F8.P1.S4.Br2.		5.0	774.9477	+0.3 mmu 
C14.H35.N1.O2.F11.P1.S4.Br2.		1.0	774.9479	+0.1 mmu 
C15.H37.N7.O7.P2.S4.Br2.		11.0	774.9479	+0.1 mmu 
C21.H35.N5.O2.F2.P2.S4.Br2.		16.0	774.9484	-0.4 mmu 
C17.H40.N1.O7.F3.P2.S4.Br2.		7.0	774.9482	-0.2 mmu 
C11.H33.N11.O2.F4.P2.S4.Br2.		9.0	774.9480	+0.0 mmu 
C13.H36.N5.O2.F7.P2.S4.Br2.		5.0	774.9482	-0.2 mmu 
C25.H38.N3.O1.P3.S4.Br2.		20.0	774.9477	+0.3 mmu 
C15.H36.N9.O1.F2.P3.S4.Br2.		13.0	774.9473	+0.7 mmu 
C17.H39.N3.O1.F5.P3.S4.Br2.		9.0	774.9476	+0.4 mmu 
C14.H40.N3.O2.F6.P3.S4.Br2.		5.0	774.9487	-0.7 mmu 
C18.H43.N1.O1.F4.P4.S4.Br2.		9.0	774.9481	-0.1 mmu 
C16.H31.N11.O5.S5.Br2.		16.0	774.9480	+0.0 mmu 
C12.H36.N7.O10.F1.S5.Br2.		7.0	774.9478	+0.2 mmu 
C22.H29.N9.F2.S5.Br2.		21.0	774.9484	-0.4 mmu 
C18.H34.N5.O5.F3.S5.Br2.		12.0	774.9482	-0.2 mmu 
C12.H27.N15.F4.S5.Br2.		14.0	774.9480	-0.0 mmu 
C14.H39.N1.O10.F4.S5.Br2.		3.0	774.9480	-0.0 mmu 
C24.H32.N3.F5.S5.Br2.		17.0	774.9487	-0.7 mmu 
C14.H30.N9.F7.S5.Br2.		10.0	774.9483	-0.3 mmu 
C16.H33.N3.F10.S5.Br2.		6.0	774.9485	-0.5 mmu 
C11.H28.N19.P1.S5.Br2.		18.0	774.9483	-0.3 mmu 
C22.H37.N3.O4.F1.P1.S5.Br2.		16.0	774.9476	+0.4 mmu 
C19.H38.N3.O5.F2.P1.S5.Br2.		12.0	774.9487	-0.7 mmu 
C13.H31.N13.F3.P1.S5.Br2.		14.0	774.9485	-0.5 mmu 
C14.H38.N3.O4.F6.P1.S5.Br2.		5.0	774.9474	+0.6 mmu 
C23.H41.N1.O4.P2.S5.Br2.		16.0	774.9481	-0.1 mmu 
C13.H39.N7.O4.F2.P2.S5.Br2.		9.0	774.9477	+0.3 mmu 
C15.H42.N1.O4.F5.P2.S5.Br2.		5.0	774.9480	+0.0 mmu 
C24.H35.N5.O2.S6.Br2.		21.0	774.9482	-0.2 mmu 
C20.H40.N1.O7.F1.S6.Br2.		12.0	774.9480	+0.0 mmu 
C14.H33.N11.O2.F2.S6.Br2.		14.0	774.9478	+0.2 mmu 
C16.H36.N5.O2.F5.S6.Br2.		10.0	774.9480	-0.0 mmu 
C15.H37.N9.O2.F1.P1.S6.Br2.		14.0	774.9483	-0.3 mmu 
C20.H39.N3.O1.F3.P1.S6.Br2.		14.0	774.9474	+0.6 mmu 
C17.H40.N3.O2.F4.P1.S6.Br2.		10.0	774.9485	-0.5 mmu 
C15.H45.N3.O6.P2.S6.Br2.		9.0	774.9475	+0.5 mmu 
C21.H43.N1.O1.F2.P2.S6.Br2.		14.0	774.9479	+0.1 mmu 
C16.H48.N3.F1.P4.S6.Br2.		11.0	774.9474	+0.6 mmu 
C16.H39.N7.O4.S7.Br2.		14.0	774.9475	+0.5 mmu 
C18.H42.N1.O4.F3.S7.Br2.		10.0	774.9478	+0.2 mmu 
C24.H43.N1.O1.S8.Br2.		19.0	774.9477	+0.3 mmu 
C14.H41.N7.O1.F2.S8.Br2.		12.0	774.9473	+0.7 mmu 
C16.H44.N1.O1.F5.S8.Br2.		8.0	774.9475	+0.5 mmu 
C15.H45.N5.O1.F1.P1.S8.Br2.		12.0	774.9478	+0.2 mmu 
C34.H16.N9.O2.Cl1.Br2.		30.0	774.9482	-0.2 mmu 
C19.H12.N21.O3.Cl1.Br2.		23.0	774.9487	-0.7 mmu 
C18.H16.N17.O7.Cl1.Br2.		18.0	774.9474	+0.6 mmu 
C21.H24.N7.O13.Cl1.Br2.		12.0	774.9487	-0.7 mmu 
C20.H28.N3.O17.Cl1.Br2.		7.0	774.9474	+0.6 mmu 
C30.H21.N5.O7.F1.Cl1.Br2.		21.0	774.9480	-0.0 mmu 
C15.H17.N17.O8.F1.Cl1.Br2.		14.0	774.9485	-0.5 mmu 
C17.H29.N3.O18.F1.Cl1.Br2.		3.0	774.9485	-0.5 mmu 
C39.H18.N3.O1.F2.Cl1.Br2.		30.0	774.9473	+0.7 mmu 
C24.H14.N15.O2.F2.Cl1.Br2.		23.0	774.9478	+0.2 mmu 
C26.H26.N1.O12.F2.Cl1.Br2.		12.0	774.9478	+0.2 mmu 
C11.H22.N13.O13.F2.Cl1.Br2.		5.0	774.9483	-0.3 mmu 
C36.H19.N3.O2.F3.Cl1.Br2.		26.0	774.9485	-0.5 mmu 
C20.H19.N11.O7.F3.Cl1.Br2.		14.0	774.9476	+0.4 mmu 
C14.H12.N21.O2.F4.Cl1.Br2.		16.0	774.9474	+0.6 mmu 
C17.H20.N11.O8.F4.Cl1.Br2.		10.0	774.9488	-0.8 mmu 
C16.H24.N7.O12.F4.Cl1.Br2.		5.0	774.9474	+0.6 mmu 
C26.H17.N9.O2.F5.Cl1.Br2.		19.0	774.9481	-0.1 mmu 
C11.H13.N21.O3.F5.Cl1.Br2.		12.0	774.9486	-0.6 mmu 
C10.H17.N17.O7.F5.Cl1.Br2.		7.0	774.9472	+0.8 mmu 
C13.H25.N7.O13.F5.Cl1.Br2.		1.0	774.9486	-0.6 mmu 
C22.H22.N5.O7.F6.Cl1.Br2.		10.0	774.9479	+0.1 mmu 
C16.H15.N15.O2.F7.Cl1.Br2.		12.0	774.9477	+0.3 mmu 
C18.H27.N1.O12.F7.Cl1.Br2.		1.0	774.9477	+0.3 mmu 
C28.H20.N3.O2.F8.Cl1.Br2.		15.0	774.9483	-0.3 mmu 
C12.H20.N11.O7.F8.Cl1.Br2.		3.0	774.9475	+0.5 mmu 
C18.H18.N9.O2.F10.Cl1.Br2.		8.0	774.9479	+0.1 mmu 
C8.H16.N15.O2.F12.Cl1.Br2.		1.0	774.9475	+0.5 mmu 
C13.H13.N25.O2.P1.Cl1.Br2.		20.0	774.9477	+0.3 mmu 
C31.H25.N3.O7.P1.Cl1.Br2.		21.0	774.9485	-0.5 mmu 
C15.H25.N11.O12.P1.Cl1.Br2.		9.0	774.9477	+0.3 mmu 
C40.H22.N1.O1.F1.P1.Cl1.Br2.		30.0	774.9478	+0.2 mmu 
C25.H18.N13.O2.F1.P1.Cl1.Br2.		23.0	774.9483	-0.3 mmu 
C21.H23.N9.O7.F2.P1.Cl1.Br2.		14.0	774.9481	-0.1 mmu 
C30.H20.N7.O1.F3.P1.Cl1.Br2.		23.0	774.9474	+0.6 mmu 
C15.H16.N19.O2.F3.P1.Cl1.Br2.		16.0	774.9479	+0.1 mmu 
C17.H28.N5.O12.F3.P1.Cl1.Br2.		5.0	774.9479	+0.1 mmu 
C27.H21.N7.O2.F4.P1.Cl1.Br2.		19.0	774.9486	-0.6 mmu 
C26.H25.N3.O6.F4.P1.Cl1.Br2.		14.0	774.9472	+0.8 mmu 
C11.H21.N15.O7.F4.P1.Cl1.Br2.		7.0	774.9477	+0.3 mmu 
C23.H26.N3.O7.F5.P1.Cl1.Br2.		10.0	774.9484	-0.4 mmu 
C32.H23.N1.O1.F6.P1.Cl1.Br2.		19.0	774.9477	+0.3 mmu 
C17.H19.N13.O2.F6.P1.Cl1.Br2.		12.0	774.9482	-0.2 mmu 
C13.H24.N9.O7.F7.P1.Cl1.Br2.		3.0	774.9480	+0.0 mmu 
C22.H21.N7.O1.F8.P1.Cl1.Br2.		12.0	774.9473	+0.7 mmu 
C19.H22.N7.O2.F9.P1.Cl1.Br2.		8.0	774.9484	-0.4 mmu 
C24.H24.N1.O1.F11.P1.Cl1.Br2.		8.0	774.9475	+0.5 mmu 
C9.H20.N13.O2.F11.P1.Cl1.Br2.		1.0	774.9480	-0.0 mmu 
C21.H25.N1.O2.F12.P1.Cl1.Br2.		4.0	774.9487	-0.7 mmu 
C25.H26.N7.O6.P2.Cl1.Br2.		18.0	774.9475	+0.5 mmu 
C10.H22.N19.O7.P2.Cl1.Br2.		11.0	774.9480	-0.0 mmu 
C19.H19.N17.O1.F1.P2.Cl1.Br2.		20.0	774.9473	+0.7 mmu 
C22.H27.N7.O7.F1.P2.Cl1.Br2.		14.0	774.9487	-0.7 mmu 
C21.H31.N3.O11.F1.P2.Cl1.Br2.		9.0	774.9473	+0.7 mmu 
C31.H24.N5.O1.F2.P2.Cl1.Br2.		23.0	774.9479	+0.1 mmu 
C16.H20.N17.O2.F2.P2.Cl1.Br2.		16.0	774.9484	-0.4 mmu 
C18.H32.N3.O12.F2.P2.Cl1.Br2.		5.0	774.9485	-0.5 mmu 
C27.H29.N1.O6.F3.P2.Cl1.Br2.		14.0	774.9477	+0.3 mmu 
C12.H25.N13.O7.F3.P2.Cl1.Br2.		7.0	774.9483	-0.3 mmu 
C21.H22.N11.O1.F4.P2.Cl1.Br2.		16.0	774.9475	+0.5 mmu 
C18.H23.N11.O2.F5.P2.Cl1.Br2.		12.0	774.9487	-0.7 mmu 
C17.H27.N7.O6.F5.P2.Cl1.Br2.		7.0	774.9473	+0.7 mmu 
C14.H28.N7.O7.F6.P2.Cl1.Br2.		3.0	774.9485	-0.5 mmu 
C23.H25.N5.O1.F7.P2.Cl1.Br2.		12.0	774.9478	+0.2 mmu 
C19.H30.N1.O6.F8.P2.Cl1.Br2.		3.0	774.9476	+0.4 mmu 
C13.H23.N11.O1.F9.P2.Cl1.Br2.		5.0	774.9474	+0.6 mmu 
C10.H24.N11.O2.F10.P2.Cl1.Br2.		1.0	774.9485	-0.5 mmu 
C15.H26.N5.O1.F12.P2.Cl1.Br2.		1.0	774.9476	+0.4 mmu 
C35.H27.N3.P3.Cl1.Br2.		27.0	774.9473	+0.7 mmu 
C20.H23.N15.O1.P3.Cl1.Br2.		20.0	774.9478	+0.2 mmu 
C22.H35.N1.O11.P3.Cl1.Br2.		9.0	774.9478	+0.2 mmu 
C32.H28.N3.O1.F1.P3.Cl1.Br2.		23.0	774.9485	-0.5 mmu 
C16.H28.N11.O6.F1.P3.Cl1.Br2.		11.0	774.9476	+0.4 mmu 
C13.H29.N11.O7.F2.P3.Cl1.Br2.		7.0	774.9488	-0.8 mmu 
C12.H33.N7.O11.F2.P3.Cl1.Br2.		2.0	774.9474	+0.6 mmu 
C22.H26.N9.O1.F3.P3.Cl1.Br2.		16.0	774.9481	-0.1 mmu 
C18.H31.N5.O6.F4.P3.Cl1.Br2.		7.0	774.9479	+0.1 mmu 
C12.H24.N15.O1.F5.P3.Cl1.Br2.		9.0	774.9477	+0.3 mmu 
C24.H29.N3.O1.F6.P3.Cl1.Br2.		12.0	774.9483	-0.3 mmu 
C14.H27.N9.O1.F8.P3.Cl1.Br2.		5.0	774.9479	+0.1 mmu 
C16.H30.N3.O1.F11.P3.Cl1.Br2.		1.0	774.9481	-0.1 mmu 
C17.H32.N9.O6.P4.Cl1.Br2.		11.0	774.9481	-0.1 mmu 
C26.H29.N7.F1.P4.Cl1.Br2.		20.0	774.9474	+0.6 mmu 
C13.H37.N5.O11.F1.P4.Cl1.Br2.		2.0	774.9479	+0.1 mmu 
C23.H30.N7.O1.F2.P4.Cl1.Br2.		16.0	774.9486	-0.6 mmu 
C22.H34.N3.O5.F2.P4.Cl1.Br2.		11.0	774.9472	+0.8 mmu 
C19.H35.N3.O6.F3.P4.Cl1.Br2.		7.0	774.9484	-0.4 mmu 
C28.H32.N1.F4.P4.Cl1.Br2.		16.0	774.9477	+0.3 mmu 
C13.H28.N13.O1.F4.P4.Cl1.Br2.		9.0	774.9482	-0.2 mmu 
C18.H30.N7.F6.P4.Cl1.Br2.		9.0	774.9473	+0.7 mmu 
C15.H31.N7.O1.F7.P4.Cl1.Br2.		5.0	774.9484	-0.4 mmu 
C20.H33.N1.F9.P4.Cl1.Br2.		5.0	774.9475	+0.5 mmu 
C17.H34.N1.O1.F10.P4.Cl1.Br2.		1.0	774.9486	-0.6 mmu 
C27.H33.N5.P5.Cl1.Br2.		20.0	774.9479	+0.1 mmu 
C23.H38.N1.O5.F1.P5.Cl1.Br2.		11.0	774.9477	+0.3 mmu 
C17.H31.N11.F2.P5.Cl1.Br2.		13.0	774.9475	+0.5 mmu 
C19.H34.N5.F5.P5.Cl1.Br2.		9.0	774.9478	+0.2 mmu 
C20.H38.N3.F4.P6.Cl1.Br2.		9.0	774.9483	-0.3 mmu 
C26.H20.N11.O4.S1.Cl1.Br2.		23.0	774.9476	+0.4 mmu 
C13.H28.N9.O15.S1.Cl1.Br2.		5.0	774.9481	-0.1 mmu 
C23.H21.N11.O5.F1.S1.Cl1.Br2.		19.0	774.9487	-0.7 mmu 
C22.H25.N7.O9.F1.S1.Cl1.Br2.		14.0	774.9474	+0.6 mmu 
C17.H14.N21.F2.S1.Cl1.Br2.		21.0	774.9485	-0.5 mmu 
C19.H26.N7.O10.F2.S1.Cl1.Br2.		10.0	774.9485	-0.5 mmu 
C28.H23.N5.O4.F3.S1.Cl1.Br2.		19.0	774.9478	+0.2 mmu 
C13.H19.N17.O5.F3.S1.Cl1.Br2.		12.0	774.9483	-0.3 mmu 
C15.H31.N3.O15.F3.S1.Cl1.Br2.		1.0	774.9483	-0.3 mmu 
C24.H28.N1.O9.F4.S1.Cl1.Br2.		10.0	774.9476	+0.4 mmu 
C9.H24.N13.O10.F4.S1.Cl1.Br2.		3.0	774.9481	-0.1 mmu 
C19.H17.N15.F5.S1.Cl1.Br2.		17.0	774.9488	-0.8 mmu 
C18.H21.N11.O4.F5.S1.Cl1.Br2.		12.0	774.9474	+0.6 mmu 
C21.H29.N1.O10.F5.S1.Cl1.Br2.		6.0	774.9488	-0.8 mmu 
C15.H22.N11.O5.F6.S1.Cl1.Br2.		8.0	774.9486	-0.6 mmu 
C20.H24.N5.O4.F8.S1.Cl1.Br2.		8.0	774.9477	+0.3 mmu 
C11.H18.N15.F10.S1.Cl1.Br2.		6.0	774.9486	-0.6 mmu 
C10.H22.N11.O4.F10.S1.Cl1.Br2.		1.0	774.9473	+0.7 mmu 
C23.H29.N5.O9.P1.S1.Cl1.Br2.		14.0	774.9479	+0.1 mmu 
C17.H22.N15.O4.F1.P1.S1.Cl1.Br2.		16.0	774.9477	+0.3 mmu 
C19.H34.N1.O14.F1.P1.S1.Cl1.Br2.		5.0	774.9477	+0.3 mmu 
C29.H27.N3.O4.F2.P1.S1.Cl1.Br2.		19.0	774.9483	-0.3 mmu 
C13.H27.N11.O9.F2.P1.S1.Cl1.Br2.		7.0	774.9475	+0.5 mmu 
C10.H28.N11.O10.F3.P1.S1.Cl1.Br2.		3.0	774.9486	-0.6 mmu 
C19.H25.N9.O4.F4.P1.S1.Cl1.Br2.		12.0	774.9479	+0.1 mmu 
C15.H30.N5.O9.F5.P1.S1.Cl1.Br2.		3.0	774.9477	+0.3 mmu 
C9.H23.N15.O4.F6.P1.S1.Cl1.Br2.		5.0	774.9475	+0.5 mmu 
C21.H28.N3.O4.F7.P1.S1.Cl1.Br2.		8.0	774.9482	-0.2 mmu 
C11.H26.N9.O4.F9.P1.S1.Cl1.Br2.		1.0	774.9478	+0.2 mmu 
C33.H30.N1.O3.P2.S1.Cl1.Br2.		23.0	774.9477	+0.3 mmu 
C18.H26.N13.O4.P2.S1.Cl1.Br2.		16.0	774.9482	-0.2 mmu 
C14.H31.N9.O9.F1.P2.S1.Cl1.Br2.		7.0	774.9480	+0.0 mmu 
C23.H28.N7.O3.F2.P2.S1.Cl1.Br2.		16.0	774.9473	+0.7 mmu 
C20.H29.N7.O4.F3.P2.S1.Cl1.Br2.		12.0	774.9484	-0.4 mmu 
C16.H34.N3.O9.F4.P2.S1.Cl1.Br2.		3.0	774.9482	-0.2 mmu 
C25.H31.N1.O3.F5.P2.S1.Cl1.Br2.		12.0	774.9475	+0.5 mmu 
C10.H27.N13.O4.F5.P2.S1.Cl1.Br2.		5.0	774.9480	-0.0 mmu 
C22.H32.N1.O4.F6.P2.S1.Cl1.Br2.		8.0	774.9487	-0.7 mmu 
C12.H30.N7.O4.F8.P2.S1.Cl1.Br2.		1.0	774.9483	-0.3 mmu 
C17.H32.N1.O3.F10.P2.S1.Cl1.Br2.		1.0	774.9474	+0.6 mmu 
C15.H35.N7.O9.P3.S1.Cl1.Br2.		7.0	774.9485	-0.5 mmu 
C24.H32.N5.O3.F1.P3.S1.Cl1.Br2.		16.0	774.9478	+0.2 mmu 
C20.H37.N1.O8.F2.P3.S1.Cl1.Br2.		7.0	774.9476	+0.4 mmu 
C14.H30.N11.O3.F3.P3.S1.Cl1.Br2.		9.0	774.9474	+0.6 mmu 
C17.H38.N1.O9.F3.P3.S1.Cl1.Br2.		3.0	774.9487	-0.7 mmu 
C11.H31.N11.O4.F4.P3.S1.Cl1.Br2.		5.0	774.9485	-0.5 mmu 
C16.H33.N5.O3.F6.P3.S1.Cl1.Br2.		5.0	774.9476	+0.4 mmu 
C25.H36.N3.O3.P4.S1.Cl1.Br2.		16.0	774.9483	-0.3 mmu 
C15.H34.N9.O3.F2.P4.S1.Cl1.Br2.		9.0	774.9479	+0.1 mmu 
C17.H37.N3.O3.F5.P4.S1.Cl1.Br2.		5.0	774.9482	-0.2 mmu 
C19.H37.N7.O2.P5.S1.Cl1.Br2.		13.0	774.9473	+0.7 mmu 
C16.H38.N7.O3.F1.P5.S1.Cl1.Br2.		9.0	774.9484	-0.4 mmu 
C21.H40.N1.O2.F3.P5.S1.Cl1.Br2.		9.0	774.9475	+0.5 mmu 
C18.H41.N1.O3.F4.P5.S1.Cl1.Br2.		5.0	774.9487	-0.7 mmu 
C34.H24.N5.O1.S2.Cl1.Br2.		28.0	774.9478	+0.2 mmu 
C19.H20.N17.O2.S2.Cl1.Br2.		21.0	774.9483	-0.3 mmu 
C21.H32.N3.O12.S2.Cl1.Br2.		10.0	774.9483	-0.3 mmu 
C30.H29.N1.O6.F1.S2.Cl1.Br2.		19.0	774.9476	+0.4 mmu 
C15.H25.N13.O7.F1.S2.Cl1.Br2.		12.0	774.9481	-0.1 mmu 
C24.H22.N11.O1.F2.S2.Cl1.Br2.		21.0	774.9474	+0.6 mmu 
C27.H30.N1.O7.F2.S2.Cl1.Br2.		15.0	774.9487	-0.7 mmu 
C11.H30.N9.O12.F2.S2.Cl1.Br2.		3.0	774.9479	+0.1 mmu 
C21.H23.N11.O2.F3.S2.Cl1.Br2.		17.0	774.9485	-0.5 mmu 
C17.H28.N7.O7.F4.S2.Cl1.Br2.		8.0	774.9483	-0.3 mmu 
C26.H25.N5.O1.F5.S2.Cl1.Br2.		17.0	774.9476	+0.4 mmu 
C11.H21.N17.O2.F5.S2.Cl1.Br2.		10.0	774.9481	-0.1 mmu 
C23.H26.N5.O2.F6.S2.Cl1.Br2.		13.0	774.9487	-0.7 mmu 
C22.H30.N1.O6.F6.S2.Cl1.Br2.		8.0	774.9474	+0.6 mmu 
C19.H31.N1.O7.F7.S2.Cl1.Br2.		4.0	774.9485	-0.5 mmu 
C13.H24.N11.O2.F8.S2.Cl1.Br2.		6.0	774.9483	-0.3 mmu 
C18.H26.N5.O1.F10.S2.Cl1.Br2.		6.0	774.9474	+0.6 mmu 
C15.H27.N5.O2.F11.S2.Cl1.Br2.		2.0	774.9486	-0.6 mmu 
C13.H21.N21.O1.P1.S2.Cl1.Br2.		18.0	774.9472	+0.8 mmu 
C16.H29.N11.O7.P1.S2.Cl1.Br2.		12.0	774.9486	-0.6 mmu 
C15.H33.N7.O11.P1.S2.Cl1.Br2.		7.0	774.9472	+0.8 mmu 
C25.H26.N9.O1.F1.P1.S2.Cl1.Br2.		21.0	774.9479	+0.1 mmu 
C12.H34.N7.O12.F1.P1.S2.Cl1.Br2.		3.0	774.9484	-0.4 mmu 
C21.H31.N5.O6.F2.P1.S2.Cl1.Br2.		12.0	774.9477	+0.3 mmu 
C15.H24.N15.O1.F3.P1.S2.Cl1.Br2.		14.0	774.9475	+0.5 mmu 
C17.H36.N1.O11.F3.P1.S2.Cl1.Br2.		3.0	774.9475	+0.5 mmu 
C27.H29.N3.O1.F4.P1.S2.Cl1.Br2.		17.0	774.9481	-0.1 mmu 
C12.H25.N15.O2.F4.P1.S2.Cl1.Br2.		10.0	774.9486	-0.6 mmu 
C11.H29.N11.O6.F4.P1.S2.Cl1.Br2.		5.0	774.9473	+0.7 mmu 
C17.H27.N9.O1.F6.P1.S2.Cl1.Br2.		10.0	774.9477	+0.3 mmu 
C13.H32.N5.O6.F7.P1.S2.Cl1.Br2.		1.0	774.9475	+0.5 mmu 
C19.H30.N3.O1.F9.P1.S2.Cl1.Br2.		6.0	774.9479	+0.1 mmu 
C26.H30.N7.O1.P2.S2.Cl1.Br2.		21.0	774.9484	-0.4 mmu 
C10.H30.N15.O6.P2.S2.Cl1.Br2.		9.0	774.9475	+0.5 mmu 
C22.H35.N3.O6.F1.P2.S2.Cl1.Br2.		12.0	774.9482	-0.2 mmu 
C31.H32.N1.F2.P2.S2.Cl1.Br2.		21.0	774.9475	+0.5 mmu 
C16.H28.N13.O1.F2.P2.S2.Cl1.Br2.		14.0	774.9480	+0.0 mmu 
C28.H33.N1.O1.F3.P2.S2.Cl1.Br2.		17.0	774.9486	-0.6 mmu 
C12.H33.N9.O6.F3.P2.S2.Cl1.Br2.		5.0	774.9478	+0.2 mmu 
C18.H31.N7.O1.F5.P2.S2.Cl1.Br2.		10.0	774.9482	-0.2 mmu 
C14.H36.N3.O6.F6.P2.S2.Cl1.Br2.		1.0	774.9480	-0.0 mmu 
C23.H33.N1.F7.P2.S2.Cl1.Br2.		10.0	774.9473	+0.7 mmu 
C20.H34.N1.O1.F8.P2.S2.Cl1.Br2.		6.0	774.9485	-0.5 mmu 
C20.H31.N11.P3.S2.Cl1.Br2.		18.0	774.9473	+0.7 mmu 
C23.H39.N1.O6.P3.S2.Cl1.Br2.		12.0	774.9487	-0.7 mmu 
C17.H32.N11.O1.F1.P3.S2.Cl1.Br2.		14.0	774.9485	-0.5 mmu 
C13.H37.N7.O6.F2.P3.S2.Cl1.Br2.		5.0	774.9483	-0.3 mmu 
C22.H34.N5.F3.P3.S2.Cl1.Br2.		14.0	774.9476	+0.4 mmu 
C19.H35.N5.O1.F4.P3.S2.Cl1.Br2.		10.0	774.9487	-0.7 mmu 
C18.H39.N1.O5.F4.P3.S2.Cl1.Br2.		5.0	774.9474	+0.6 mmu 
C15.H40.N1.O6.F5.P3.S2.Cl1.Br2.		1.0	774.9485	-0.5 mmu 
C14.H35.N5.F8.P3.S2.Cl1.Br2.		3.0	774.9474	+0.6 mmu 
C17.H40.N5.O5.P4.S2.Cl1.Br2.		9.0	774.9477	+0.3 mmu 
C23.H38.N3.F2.P4.S2.Cl1.Br2.		14.0	774.9481	-0.1 mmu 
C13.H36.N9.F4.P4.S2.Cl1.Br2.		7.0	774.9477	+0.3 mmu 
C15.H39.N3.F7.P4.S2.Cl1.Br2.		3.0	774.9479	+0.1 mmu 
C24.H42.N1.F1.P5.S2.Cl1.Br2.		14.0	774.9486	-0.6 mmu 
C16.H43.N1.F6.P5.S2.Cl1.Br2.		3.0	774.9484	-0.4 mmu 
C11.H24.N19.O4.S3.Cl1.Br2.		14.0	774.9476	+0.4 mmu 
C13.H36.N5.O14.S3.Cl1.Br2.		3.0	774.9476	+0.4 mmu 
C23.H29.N7.O4.F1.S3.Cl1.Br2.		17.0	774.9482	-0.2 mmu 
C19.H34.N3.O9.F2.S3.Cl1.Br2.		8.0	774.9481	-0.1 mmu 
C28.H31.N1.O3.F3.S3.Cl1.Br2.		17.0	774.9473	+0.7 mmu 
C13.H27.N13.O4.F3.S3.Cl1.Br2.		10.0	774.9478	+0.2 mmu 
C25.H32.N1.O4.F4.S3.Cl1.Br2.		13.0	774.9485	-0.5 mmu 
C15.H30.N7.O4.F6.S3.Cl1.Br2.		6.0	774.9481	-0.1 mmu 
C17.H33.N1.O4.F9.S3.Cl1.Br2.		2.0	774.9483	-0.3 mmu 
C24.H33.N5.O4.P1.S3.Cl1.Br2.		17.0	774.9488	-0.8 mmu 
C23.H37.N1.O8.P1.S3.Cl1.Br2.		12.0	774.9474	+0.6 mmu 
C20.H38.N1.O9.F1.P1.S3.Cl1.Br2.		8.0	774.9486	-0.6 mmu 
C14.H31.N11.O4.F2.P1.S3.Cl1.Br2.		10.0	774.9484	-0.4 mmu 
C19.H33.N5.O3.F4.P1.S3.Cl1.Br2.		10.0	774.9475	+0.5 mmu 
C16.H34.N5.O4.F5.P1.S3.Cl1.Br2.		6.0	774.9486	-0.6 mmu 
C15.H38.N1.O8.F5.P1.S3.Cl1.Br2.		1.0	774.9473	+0.7 mmu 
C18.H34.N9.O3.P2.S3.Cl1.Br2.		14.0	774.9477	+0.3 mmu 
C14.H39.N5.O8.F1.P2.S3.Cl1.Br2.		5.0	774.9475	+0.5 mmu 
C20.H37.N3.O3.F3.P2.S3.Cl1.Br2.		10.0	774.9480	+0.0 mmu 
C15.H43.N3.O8.P3.S3.Cl1.Br2.		5.0	774.9480	-0.0 mmu 
C24.H40.N1.O2.F1.P3.S3.Cl1.Br2.		14.0	774.9473	+0.7 mmu 
C21.H41.N1.O3.F2.P3.S3.Cl1.Br2.		10.0	774.9485	-0.5 mmu 
C15.H42.N5.O2.F2.P4.S3.Cl1.Br2.		7.0	774.9474	+0.6 mmu 
C16.H46.N3.O2.F1.P5.S3.Cl1.Br2.		7.0	774.9480	+0.0 mmu 
C34.H32.N1.S4.Cl1.Br2.		26.0	774.9473	+0.7 mmu 
C19.H28.N13.O1.S4.Cl1.Br2.		19.0	774.9478	+0.2 mmu 
C31.H33.N1.O1.F1.S4.Cl1.Br2.		22.0	774.9484	-0.4 mmu 
C15.H33.N9.O6.F1.S4.Cl1.Br2.		10.0	774.9476	+0.4 mmu 
C12.H34.N9.O7.F2.S4.Cl1.Br2.		6.0	774.9487	-0.7 mmu 
C21.H31.N7.O1.F3.S4.Cl1.Br2.		15.0	774.9480	-0.0 mmu 
C17.H36.N3.O6.F4.S4.Cl1.Br2.		6.0	774.9478	+0.2 mmu 
C11.H29.N13.O1.F5.S4.Cl1.Br2.		8.0	774.9476	+0.4 mmu 
C23.H34.N1.O1.F6.S4.Cl1.Br2.		11.0	774.9483	-0.3 mmu 
C13.H32.N7.O1.F8.S4.Cl1.Br2.		4.0	774.9479	+0.1 mmu 
C15.H35.N1.O1.F11.S4.Cl1.Br2.		0.0	774.9481	-0.1 mmu 
C16.H37.N7.O6.P1.S4.Cl1.Br2.		10.0	774.9481	-0.1 mmu 
C25.H34.N5.F1.P1.S4.Cl1.Br2.		19.0	774.9474	+0.6 mmu 
C10.H30.N17.O1.F1.P1.S4.Cl1.Br2.		12.0	774.9479	+0.1 mmu 
C22.H35.N5.O1.F2.P1.S4.Cl1.Br2.		15.0	774.9485	-0.5 mmu 
C18.H40.N1.O6.F3.P1.S4.Cl1.Br2.		6.0	774.9483	-0.3 mmu 
C12.H33.N11.O1.F4.P1.S4.Cl1.Br2.		8.0	774.9481	-0.1 mmu 
C17.H35.N5.F6.P1.S4.Cl1.Br2.		8.0	774.9472	+0.8 mmu 
C14.H36.N5.O1.F7.P1.S4.Cl1.Br2.		4.0	774.9484	-0.4 mmu 
C26.H38.N3.P2.S4.Cl1.Br2.		19.0	774.9479	+0.1 mmu 
C16.H36.N9.F2.P2.S4.Cl1.Br2.		12.0	774.9475	+0.5 mmu 
C13.H37.N9.O1.F3.P2.S4.Cl1.Br2.		8.0	774.9487	-0.7 mmu 
C18.H39.N3.F5.P2.S4.Cl1.Br2.		8.0	774.9477	+0.3 mmu 
C17.H40.N7.F1.P3.S4.Cl1.Br2.		12.0	774.9480	-0.0 mmu 
C19.H43.N1.F4.P3.S4.Cl1.Br2.		8.0	774.9483	-0.3 mmu 
C14.H40.N5.O9.S5.Cl1.Br2.		6.0	774.9485	-0.5 mmu 
C23.H37.N3.O3.F1.S5.Cl1.Br2.		15.0	774.9478	+0.2 mmu 
C13.H35.N9.O3.F3.S5.Cl1.Br2.		8.0	774.9474	+0.6 mmu 
C15.H38.N3.O3.F6.S5.Cl1.Br2.		4.0	774.9476	+0.4 mmu 
C24.H41.N1.O3.P1.S5.Cl1.Br2.		15.0	774.9483	-0.3 mmu 
C14.H39.N7.O3.F2.P1.S5.Cl1.Br2.		8.0	774.9479	+0.1 mmu 
C16.H42.N1.O3.F5.P1.S5.Cl1.Br2.		4.0	774.9481	-0.1 mmu 
C18.H42.N5.O2.P2.S5.Cl1.Br2.		12.0	774.9473	+0.7 mmu 
C15.H43.N5.O3.F1.P2.S5.Cl1.Br2.		8.0	774.9484	-0.4 mmu 
C19.H36.N9.S6.Cl1.Br2.		17.0	774.9473	+0.7 mmu 
C16.H37.N9.O1.F1.S6.Cl1.Br2.		13.0	774.9485	-0.5 mmu 
C21.H39.N3.F3.S6.Cl1.Br2.		13.0	774.9476	+0.4 mmu 
C18.H40.N3.O1.F4.S6.Cl1.Br2.		9.0	774.9487	-0.7 mmu 
C16.H45.N3.O5.P1.S6.Cl1.Br2.		8.0	774.9476	+0.4 mmu 
C22.H43.N1.F2.P1.S6.Cl1.Br2.		13.0	774.9481	-0.1 mmu 
C16.H45.N5.F1.S8.Cl1.Br2.		11.0	774.9480	+0.0 mmu 
C17.H49.N3.P1.S8.Cl1.Br2.		11.0	774.9485	-0.5 mmu 
C29.H17.N13.Cl2.Br2.		26.0	774.9474	+0.6 mmu 
C14.H13.N25.O1.Cl2.Br2.		19.0	774.9479	+0.1 mmu 
C32.H25.N3.O6.Cl2.Br2.		20.0	774.9487	-0.7 mmu 
C16.H25.N11.O11.Cl2.Br2.		8.0	774.9479	+0.1 mmu 
C41.H22.N1.F1.Cl2.Br2.		29.0	774.9480	-0.0 mmu 
C26.H18.N13.O1.F1.Cl2.Br2.		22.0	774.9485	-0.5 mmu 
C22.H23.N9.O6.F2.Cl2.Br2.		13.0	774.9483	-0.3 mmu 
C31.H20.N7.F3.Cl2.Br2.		22.0	774.9476	+0.4 mmu 
C16.H16.N19.O1.F3.Cl2.Br2.		15.0	774.9481	-0.1 mmu 
C18.H28.N5.O11.F3.Cl2.Br2.		4.0	774.9481	-0.1 mmu 
C28.H21.N7.O1.F4.Cl2.Br2.		18.0	774.9488	-0.8 mmu 
C27.H25.N3.O5.F4.Cl2.Br2.		13.0	774.9474	+0.6 mmu 
C12.H21.N15.O6.F4.Cl2.Br2.		6.0	774.9479	+0.1 mmu 
C24.H26.N3.O6.F5.Cl2.Br2.		9.0	774.9486	-0.6 mmu 
C33.H23.N1.F6.Cl2.Br2.		18.0	774.9478	+0.2 mmu 
C18.H19.N13.O1.F6.Cl2.Br2.		11.0	774.9484	-0.4 mmu 
C14.H24.N9.O6.F7.Cl2.Br2.		2.0	774.9482	-0.2 mmu 
C23.H21.N7.F8.Cl2.Br2.		11.0	774.9474	+0.6 mmu 
C20.H22.N7.O1.F9.Cl2.Br2.		7.0	774.9486	-0.6 mmu 
C19.H26.N3.O5.F9.Cl2.Br2.		2.0	774.9473	+0.7 mmu 
C25.H24.N1.F11.Cl2.Br2.		7.0	774.9477	+0.3 mmu 
C10.H20.N13.O1.F11.Cl2.Br2.		0.0	774.9482	-0.2 mmu 
C26.H26.N7.O5.P1.Cl2.Br2.		17.0	774.9477	+0.3 mmu 
C11.H22.N19.O6.P1.Cl2.Br2.		10.0	774.9482	-0.2 mmu 
C20.H19.N17.F1.P1.Cl2.Br2.		19.0	774.9475	+0.5 mmu 
C22.H31.N3.O10.F1.P1.Cl2.Br2.		8.0	774.9475	+0.5 mmu 
C32.H24.N5.F2.P1.Cl2.Br2.		22.0	774.9481	-0.1 mmu 
C17.H20.N17.O1.F2.P1.Cl2.Br2.		15.0	774.9486	-0.6 mmu 
C16.H24.N13.O5.F2.P1.Cl2.Br2.		10.0	774.9473	+0.7 mmu 
C19.H32.N3.O11.F2.P1.Cl2.Br2.		4.0	774.9486	-0.6 mmu 
C28.H29.N1.O5.F3.P1.Cl2.Br2.		13.0	774.9479	+0.1 mmu 
C13.H25.N13.O6.F3.P1.Cl2.Br2.		6.0	774.9484	-0.4 mmu 
C22.H22.N11.F4.P1.Cl2.Br2.		15.0	774.9477	+0.3 mmu 
C18.H27.N7.O5.F5.P1.Cl2.Br2.		6.0	774.9475	+0.5 mmu 
C12.H20.N17.F6.P1.Cl2.Br2.		8.0	774.9473	+0.7 mmu 
C15.H28.N7.O6.F6.P1.Cl2.Br2.		2.0	774.9487	-0.7 mmu 
C24.H25.N5.F7.P1.Cl2.Br2.		11.0	774.9480	+0.0 mmu 
C9.H21.N17.O1.F7.P1.Cl2.Br2.		4.0	774.9485	-0.5 mmu 
C20.H30.N1.O5.F8.P1.Cl2.Br2.		2.0	774.9478	+0.2 mmu 
C14.H23.N11.F9.P1.Cl2.Br2.		4.0	774.9476	+0.4 mmu 
C11.H24.N11.O1.F10.P1.Cl2.Br2.		0.0	774.9487	-0.7 mmu 
C16.H26.N5.F12.P1.Cl2.Br2.		0.0	774.9478	+0.2 mmu 
C21.H23.N15.P2.Cl2.Br2.		19.0	774.9480	+0.0 mmu 
C23.H35.N1.O10.P2.Cl2.Br2.		8.0	774.9480	+0.0 mmu 
C33.H28.N3.F1.P2.Cl2.Br2.		22.0	774.9486	-0.6 mmu 
C17.H28.N11.O5.F1.P2.Cl2.Br2.		10.0	774.9478	+0.2 mmu 
C11.H21.N21.F2.P2.Cl2.Br2.		12.0	774.9476	+0.4 mmu 
C13.H33.N7.O10.F2.P2.Cl2.Br2.		1.0	774.9476	+0.4 mmu 
C23.H26.N9.F3.P2.Cl2.Br2.		15.0	774.9482	-0.2 mmu 
C19.H31.N5.O5.F4.P2.Cl2.Br2.		6.0	774.9480	-0.0 mmu 
C13.H24.N15.F5.P2.Cl2.Br2.		8.0	774.9478	+0.2 mmu 
C25.H29.N3.F6.P2.Cl2.Br2.		11.0	774.9485	-0.5 mmu 
C15.H27.N9.F8.P2.Cl2.Br2.		4.0	774.9481	-0.1 mmu 
C17.H30.N3.F11.P2.Cl2.Br2.		0.0	774.9483	-0.3 mmu 
C18.H32.N9.O5.P3.Cl2.Br2.		10.0	774.9483	-0.3 mmu 
C12.H25.N19.F1.P3.Cl2.Br2.		12.0	774.9481	-0.1 mmu 
C14.H37.N5.O10.F1.P3.Cl2.Br2.		1.0	774.9481	-0.1 mmu 
C24.H30.N7.F2.P3.Cl2.Br2.		15.0	774.9487	-0.7 mmu 
C23.H34.N3.O4.F2.P3.Cl2.Br2.		10.0	774.9474	+0.6 mmu 
C20.H35.N3.O5.F3.P3.Cl2.Br2.		6.0	774.9485	-0.5 mmu 
C14.H28.N13.F4.P3.Cl2.Br2.		8.0	774.9483	-0.3 mmu 
C16.H31.N7.F7.P3.Cl2.Br2.		4.0	774.9486	-0.6 mmu 
C13.H29.N17.P4.Cl2.Br2.		12.0	774.9486	-0.6 mmu 
C15.H41.N3.O10.P4.Cl2.Br2.		1.0	774.9486	-0.6 mmu 
C24.H38.N1.O4.F1.P4.Cl2.Br2.		10.0	774.9479	+0.1 mmu 
C14.H36.N7.O4.F3.P4.Cl2.Br2.		3.0	774.9475	+0.5 mmu 
C19.H43.N3.O3.P6.Cl2.Br2.		7.0	774.9474	+0.6 mmu 
C24.H29.N5.O8.S1.Cl2.Br2.		13.0	774.9481	-0.1 mmu 
C9.H25.N17.O9.S1.Cl2.Br2.		6.0	774.9486	-0.6 mmu 
C33.H26.N3.O2.F1.S1.Cl2.Br2.		22.0	774.9474	+0.6 mmu 
C18.H22.N15.O3.F1.S1.Cl2.Br2.		15.0	774.9479	+0.1 mmu 
C20.H34.N1.O13.F1.S1.Cl2.Br2.		4.0	774.9479	+0.1 mmu 
C30.H27.N3.O3.F2.S1.Cl2.Br2.		18.0	774.9485	-0.5 mmu 
C14.H27.N11.O8.F2.S1.Cl2.Br2.		6.0	774.9477	+0.3 mmu 
C20.H25.N9.O3.F4.S1.Cl2.Br2.		11.0	774.9481	-0.1 mmu 
C16.H30.N5.O8.F5.S1.Cl2.Br2.		2.0	774.9479	+0.1 mmu 
C10.H23.N15.O3.F6.S1.Cl2.Br2.		4.0	774.9477	+0.3 mmu 
C22.H28.N3.O3.F7.S1.Cl2.Br2.		7.0	774.9483	-0.3 mmu 
C12.H26.N9.O3.F9.S1.Cl2.Br2.		0.0	774.9479	+0.1 mmu 
C34.H30.N1.O2.P1.S1.Cl2.Br2.		22.0	774.9479	+0.1 mmu 
C19.H26.N13.O3.P1.S1.Cl2.Br2.		15.0	774.9484	-0.4 mmu 
C15.H31.N9.O8.F1.P1.S1.Cl2.Br2.		6.0	774.9482	-0.2 mmu 
C24.H28.N7.O2.F2.P1.S1.Cl2.Br2.		15.0	774.9475	+0.5 mmu 
C21.H29.N7.O3.F3.P1.S1.Cl2.Br2.		11.0	774.9486	-0.6 mmu 
C20.H33.N3.O7.F3.P1.S1.Cl2.Br2.		6.0	774.9473	+0.7 mmu 
C17.H34.N3.O8.F4.P1.S1.Cl2.Br2.		2.0	774.9484	-0.4 mmu 
C26.H31.N1.O2.F5.P1.S1.Cl2.Br2.		11.0	774.9477	+0.3 mmu 
C11.H27.N13.O3.F5.P1.S1.Cl2.Br2.		4.0	774.9482	-0.2 mmu 
C16.H29.N7.O2.F7.P1.S1.Cl2.Br2.		4.0	774.9473	+0.7 mmu 
C13.H30.N7.O3.F8.P1.S1.Cl2.Br2.		0.0	774.9485	-0.5 mmu 
C18.H32.N1.O2.F10.P1.S1.Cl2.Br2.		0.0	774.9475	+0.5 mmu 
C13.H27.N17.O2.P2.S1.Cl2.Br2.		12.0	774.9473	+0.7 mmu 
C16.H35.N7.O8.P2.S1.Cl2.Br2.		6.0	774.9487	-0.7 mmu 
C15.H39.N3.O12.P2.S1.Cl2.Br2.		1.0	774.9473	+0.7 mmu 
C25.H32.N5.O2.F1.P2.S1.Cl2.Br2.		15.0	774.9480	+0.0 mmu 
C10.H28.N17.O3.F1.P2.S1.Cl2.Br2.		8.0	774.9485	-0.5 mmu 
C21.H37.N1.O7.F2.P2.S1.Cl2.Br2.		6.0	774.9478	+0.2 mmu 
C15.H30.N11.O2.F3.P2.S1.Cl2.Br2.		8.0	774.9476	+0.4 mmu 
C12.H31.N11.O3.F4.P2.S1.Cl2.Br2.		4.0	774.9487	-0.7 mmu 
C17.H33.N5.O2.F6.P2.S1.Cl2.Br2.		4.0	774.9478	+0.2 mmu 
C26.H36.N3.O2.P3.S1.Cl2.Br2.		15.0	774.9485	-0.5 mmu 
C16.H34.N9.O2.F2.P3.S1.Cl2.Br2.		8.0	774.9481	-0.1 mmu 
C18.H37.N3.O2.F5.P3.S1.Cl2.Br2.		4.0	774.9483	-0.3 mmu 
C20.H37.N7.O1.P4.S1.Cl2.Br2.		12.0	774.9475	+0.5 mmu 
C17.H38.N7.O2.F1.P4.S1.Cl2.Br2.		8.0	774.9486	-0.6 mmu 
C16.H42.N3.O6.F1.P4.S1.Cl2.Br2.		3.0	774.9473	+0.7 mmu 
C22.H40.N1.O1.F3.P4.S1.Cl2.Br2.		8.0	774.9477	+0.3 mmu 
C17.H46.N1.O6.P5.S1.Cl2.Br2.		3.0	774.9478	+0.2 mmu 
C14.H21.N21.S2.Cl2.Br2.		17.0	774.9474	+0.6 mmu 
C17.H29.N11.O6.S2.Cl2.Br2.		11.0	774.9487	-0.7 mmu 
C16.H33.N7.O10.S2.Cl2.Br2.		6.0	774.9474	+0.6 mmu 
C26.H26.N9.F1.S2.Cl2.Br2.		20.0	774.9480	-0.0 mmu 
C11.H22.N21.O1.F1.S2.Cl2.Br2.		13.0	774.9485	-0.5 mmu 
C13.H34.N7.O11.F1.S2.Cl2.Br2.		2.0	774.9486	-0.6 mmu 
C22.H31.N5.O5.F2.S2.Cl2.Br2.		11.0	774.9478	+0.2 mmu 
C16.H24.N15.F3.S2.Cl2.Br2.		13.0	774.9476	+0.4 mmu 
C18.H36.N1.O10.F3.S2.Cl2.Br2.		2.0	774.9477	+0.3 mmu 
C28.H29.N3.F4.S2.Cl2.Br2.		16.0	774.9483	-0.3 mmu 
C12.H29.N11.O5.F4.S2.Cl2.Br2.		4.0	774.9474	+0.6 mmu 
C18.H27.N9.F6.S2.Cl2.Br2.		9.0	774.9479	+0.1 mmu 
C14.H32.N5.O5.F7.S2.Cl2.Br2.		0.0	774.9477	+0.3 mmu 
C20.H30.N3.F9.S2.Cl2.Br2.		5.0	774.9481	-0.1 mmu 
C27.H30.N7.P1.S2.Cl2.Br2.		20.0	774.9486	-0.6 mmu 
C11.H30.N15.O5.P1.S2.Cl2.Br2.		8.0	774.9477	+0.3 mmu 
C23.H35.N3.O5.F1.P1.S2.Cl2.Br2.		11.0	774.9484	-0.4 mmu 
C17.H28.N13.F2.P1.S2.Cl2.Br2.		13.0	774.9482	-0.2 mmu 
C13.H33.N9.O5.F3.P1.S2.Cl2.Br2.		4.0	774.9480	+0.0 mmu 
C19.H31.N7.F5.P1.S2.Cl2.Br2.		9.0	774.9484	-0.4 mmu 
C15.H36.N3.O5.F6.P1.S2.Cl2.Br2.		0.0	774.9482	-0.2 mmu 
C21.H34.N1.F8.P1.S2.Cl2.Br2.		5.0	774.9486	-0.6 mmu 
C18.H32.N11.F1.P2.S2.Cl2.Br2.		13.0	774.9487	-0.7 mmu 
C17.H36.N7.O4.F1.P2.S2.Cl2.Br2.		8.0	774.9473	+0.7 mmu 
C14.H37.N7.O5.F2.P2.S2.Cl2.Br2.		4.0	774.9485	-0.5 mmu 
C19.H39.N1.O4.F4.P2.S2.Cl2.Br2.		4.0	774.9476	+0.4 mmu 
C16.H40.N1.O5.F5.P2.S2.Cl2.Br2.		0.0	774.9487	-0.7 mmu 
C18.H40.N5.O4.P3.S2.Cl2.Br2.		8.0	774.9478	+0.2 mmu 
C24.H37.N1.O7.S3.Cl2.Br2.		11.0	774.9476	+0.4 mmu 
C18.H30.N11.O2.F1.S3.Cl2.Br2.		13.0	774.9474	+0.6 mmu 
C21.H38.N1.O8.F1.S3.Cl2.Br2.		7.0	774.9487	-0.7 mmu 
C15.H31.N11.O3.F2.S3.Cl2.Br2.		9.0	774.9485	-0.5 mmu 
C20.H33.N5.O2.F4.S3.Cl2.Br2.		9.0	774.9476	+0.4 mmu 
C17.H34.N5.O3.F5.S3.Cl2.Br2.		5.0	774.9488	-0.8 mmu 
C16.H38.N1.O7.F5.S3.Cl2.Br2.		0.0	774.9474	+0.6 mmu 
C19.H34.N9.O2.P1.S3.Cl2.Br2.		13.0	774.9479	+0.1 mmu 
C15.H39.N5.O7.F1.P1.S3.Cl2.Br2.		4.0	774.9477	+0.3 mmu 
C21.H37.N3.O2.F3.P1.S3.Cl2.Br2.		9.0	774.9481	-0.1 mmu 
C16.H43.N3.O7.P2.S3.Cl2.Br2.		4.0	774.9482	-0.2 mmu 
C25.H40.N1.O1.F1.P2.S3.Cl2.Br2.		13.0	774.9475	+0.5 mmu 
C22.H41.N1.O2.F2.P2.S3.Cl2.Br2.		9.0	774.9487	-0.7 mmu 
C17.H41.N1.O1.F6.P2.S3.Cl2.Br2.		2.0	774.9473	+0.7 mmu 
C16.H42.N5.O1.F2.P3.S3.Cl2.Br2.		6.0	774.9476	+0.4 mmu 
C17.H46.N3.O1.F1.P4.S3.Cl2.Br2.		6.0	774.9481	-0.1 mmu 
C18.H50.N1.O1.P5.S3.Cl2.Br2.		6.0	774.9486	-0.6 mmu 
C17.H37.N7.O5.S4.Cl2.Br2.		9.0	774.9483	-0.3 mmu 
C11.H30.N17.F1.S4.Cl2.Br2.		11.0	774.9481	-0.1 mmu 
C23.H35.N5.F2.S4.Cl2.Br2.		14.0	774.9487	-0.7 mmu 
C22.H39.N1.O4.F2.S4.Cl2.Br2.		9.0	774.9474	+0.6 mmu 
C19.H40.N1.O5.F3.S4.Cl2.Br2.		5.0	774.9485	-0.5 mmu 
C13.H33.N11.F4.S4.Cl2.Br2.		7.0	774.9483	-0.3 mmu 
C15.H36.N5.F7.S4.Cl2.Br2.		3.0	774.9486	-0.6 mmu 
C12.H34.N15.P1.S4.Cl2.Br2.		11.0	774.9486	-0.6 mmu 
C18.H48.N1.O3.P3.S4.Cl2.Br2.		6.0	774.9474	+0.6 mmu 
C25.H41.N1.O2.S5.Cl2.Br2.		14.0	774.9485	-0.5 mmu 
C15.H39.N7.O2.F2.S5.Cl2.Br2.		7.0	774.9481	-0.1 mmu 
C17.H42.N1.O2.F5.S5.Cl2.Br2.		3.0	774.9483	-0.3 mmu 
C19.H42.N5.O1.P1.S5.Cl2.Br2.		11.0	774.9474	+0.6 mmu 
C16.H43.N5.O2.F1.P1.S5.Cl2.Br2.		7.0	774.9486	-0.6 mmu 
C17.H45.N3.O4.S6.Cl2.Br2.		7.0	774.9478	+0.2 mmu 
C27.H26.N7.O4.Cl3.Br2.		16.0	774.9479	+0.1 mmu 
C12.H22.N19.O5.Cl3.Br2.		9.0	774.9484	-0.4 mmu 
C23.H31.N3.O9.F1.Cl3.Br2.		7.0	774.9477	+0.3 mmu 
C17.H24.N13.O4.F2.Cl3.Br2.		9.0	774.9475	+0.5 mmu 
C29.H29.N1.O4.F3.Cl3.Br2.		12.0	774.9481	-0.1 mmu 
C14.H25.N13.O5.F3.Cl3.Br2.		5.0	774.9486	-0.6 mmu 
C13.H29.N9.O9.F3.Cl3.Br2.		0.0	774.9473	+0.7 mmu 
C19.H27.N7.O4.F5.Cl3.Br2.		5.0	774.9477	+0.3 mmu 
C10.H21.N17.F7.Cl3.Br2.		3.0	774.9486	-0.6 mmu 
C21.H30.N1.O4.F8.Cl3.Br2.		1.0	774.9479	+0.1 mmu 
C24.H35.N1.O9.P1.Cl3.Br2.		7.0	774.9482	-0.2 mmu 
C18.H28.N11.O4.F1.P1.Cl3.Br2.		9.0	774.9480	+0.0 mmu 
C14.H33.N7.O9.F2.P1.Cl3.Br2.		0.0	774.9478	+0.2 mmu 
C20.H31.N5.O4.F4.P1.Cl3.Br2.		5.0	774.9482	-0.2 mmu 
C19.H32.N9.O4.P2.Cl3.Br2.		9.0	774.9485	-0.5 mmu 
C15.H37.N5.O9.F1.P2.Cl3.Br2.		0.0	774.9483	-0.3 mmu 
C24.H34.N3.O3.F2.P2.Cl3.Br2.		9.0	774.9476	+0.4 mmu 
C21.H35.N3.O4.F3.P2.Cl3.Br2.		5.0	774.9487	-0.7 mmu 
C13.H33.N13.O3.P3.Cl3.Br2.		6.0	774.9474	+0.6 mmu 
C25.H38.N1.O3.F1.P3.Cl3.Br2.		9.0	774.9481	-0.1 mmu 
C15.H36.N7.O3.F3.P3.Cl3.Br2.		2.0	774.9477	+0.3 mmu 
C16.H40.N5.O3.F2.P4.Cl3.Br2.		2.0	774.9482	-0.2 mmu 
C20.H43.N3.O2.P5.Cl3.Br2.		6.0	774.9476	+0.4 mmu 
C17.H44.N3.O3.F1.P5.Cl3.Br2.		2.0	774.9487	-0.7 mmu 
C35.H30.N1.O1.S1.Cl3.Br2.		21.0	774.9480	-0.0 mmu 
C20.H26.N13.O2.S1.Cl3.Br2.		14.0	774.9485	-0.5 mmu 
C16.H31.N9.O7.F1.S1.Cl3.Br2.		5.0	774.9484	-0.4 mmu 
C25.H28.N7.O1.F2.S1.Cl3.Br2.		14.0	774.9476	+0.4 mmu 
C10.H24.N19.O2.F2.S1.Cl3.Br2.		7.0	774.9481	-0.1 mmu 
C21.H33.N3.O6.F3.S1.Cl3.Br2.		5.0	774.9474	+0.6 mmu 
C15.H26.N13.O1.F4.S1.Cl3.Br2.		7.0	774.9472	+0.8 mmu 
C18.H34.N3.O7.F4.S1.Cl3.Br2.		1.0	774.9486	-0.6 mmu 
C27.H31.N1.O1.F5.S1.Cl3.Br2.		10.0	774.9479	+0.1 mmu 
C12.H27.N13.O2.F5.S1.Cl3.Br2.		3.0	774.9484	-0.4 mmu 
C17.H29.N7.O1.F7.S1.Cl3.Br2.		3.0	774.9475	+0.5 mmu 
C14.H27.N17.O1.P1.S1.Cl3.Br2.		11.0	774.9475	+0.5 mmu 
C16.H39.N3.O11.P1.S1.Cl3.Br2.		0.0	774.9475	+0.5 mmu 
C26.H32.N5.O1.F1.P1.S1.Cl3.Br2.		14.0	774.9482	-0.2 mmu 
C11.H28.N17.O2.F1.P1.S1.Cl3.Br2.		7.0	774.9487	-0.7 mmu 
C22.H37.N1.O6.F2.P1.S1.Cl3.Br2.		5.0	774.9480	+0.0 mmu 
C16.H30.N11.O1.F3.P1.S1.Cl3.Br2.		7.0	774.9478	+0.2 mmu 
C18.H33.N5.O1.F6.P1.S1.Cl3.Br2.		3.0	774.9480	+0.0 mmu 
C27.H36.N3.O1.P2.S1.Cl3.Br2.		14.0	774.9487	-0.7 mmu 
C17.H34.N9.O1.F2.P2.S1.Cl3.Br2.		7.0	774.9483	-0.3 mmu 
C22.H36.N3.F4.P2.S1.Cl3.Br2.		7.0	774.9474	+0.6 mmu 
C19.H37.N3.O1.F5.P2.S1.Cl3.Br2.		3.0	774.9485	-0.5 mmu 
C21.H37.N7.P3.S1.Cl3.Br2.		11.0	774.9476	+0.4 mmu 
C17.H42.N3.O5.F1.P3.S1.Cl3.Br2.		2.0	774.9474	+0.6 mmu 
C23.H40.N1.F3.P3.S1.Cl3.Br2.		7.0	774.9479	+0.1 mmu 
C13.H38.N7.F5.P3.S1.Cl3.Br2.		0.0	774.9475	+0.5 mmu 
C18.H46.N1.O5.P4.S1.Cl3.Br2.		2.0	774.9479	+0.1 mmu 
C14.H42.N5.F4.P4.S1.Cl3.Br2.		0.0	774.9480	+0.0 mmu 
C27.H34.N3.O3.S2.Cl3.Br2.		14.0	774.9474	+0.6 mmu 
C12.H30.N15.O4.S2.Cl3.Br2.		7.0	774.9479	+0.1 mmu 
C24.H35.N3.O4.F1.S2.Cl3.Br2.		10.0	774.9485	-0.5 mmu 
C14.H33.N9.O4.F3.S2.Cl3.Br2.		3.0	774.9481	-0.1 mmu 
C19.H35.N3.O3.F5.S2.Cl3.Br2.		3.0	774.9472	+0.8 mmu 
C18.H36.N7.O3.F1.P1.S2.Cl3.Br2.		7.0	774.9475	+0.5 mmu 
C15.H37.N7.O4.F2.P1.S2.Cl3.Br2.		3.0	774.9486	-0.6 mmu 
C20.H39.N1.O3.F4.P1.S2.Cl3.Br2.		3.0	774.9477	+0.3 mmu 
C19.H40.N5.O3.P2.S2.Cl3.Br2.		7.0	774.9480	-0.0 mmu 
C16.H48.N1.O2.F2.P4.S2.Cl3.Br2.		0.0	774.9477	+0.3 mmu 
C20.H34.N9.O1.S3.Cl3.Br2.		12.0	774.9481	-0.1 mmu 
C16.H39.N5.O6.F1.S3.Cl3.Br2.		3.0	774.9479	+0.1 mmu 
C22.H37.N3.O1.F3.S3.Cl3.Br2.		8.0	774.9483	-0.3 mmu 
C12.H35.N9.O1.F5.S3.Cl3.Br2.		1.0	774.9479	+0.1 mmu 
C17.H43.N3.O6.P1.S3.Cl3.Br2.		3.0	774.9484	-0.4 mmu 
C26.H40.N1.F1.P1.S3.Cl3.Br2.		12.0	774.9477	+0.3 mmu 
C16.H38.N7.F3.P1.S3.Cl3.Br2.		5.0	774.9473	+0.7 mmu 
C13.H39.N7.O1.F4.P1.S3.Cl3.Br2.		1.0	774.9484	-0.4 mmu 
C18.H41.N1.F6.P1.S3.Cl3.Br2.		1.0	774.9475	+0.5 mmu 
C17.H42.N5.F2.P2.S3.Cl3.Br2.		5.0	774.9478	+0.2 mmu 
C18.H46.N3.F1.P3.S3.Cl3.Br2.		5.0	774.9483	-0.3 mmu 
C14.H41.N5.O3.F3.S4.Cl3.Br2.		1.0	774.9477	+0.3 mmu 
C15.H45.N3.O3.F2.P1.S4.Cl3.Br2.		1.0	774.9482	-0.2 mmu 
C19.H48.N1.O2.P2.S4.Cl3.Br2.		5.0	774.9475	+0.5 mmu 
C20.H42.N5.S5.Cl3.Br2.		10.0	774.9476	+0.4 mmu 
C17.H43.N5.O1.F1.S5.Cl3.Br2.		6.0	774.9488	-0.8 mmu 
C16.H47.N1.O5.F1.S5.Cl3.Br2.		1.0	774.9474	+0.6 mmu 
C17.H51.N1.F1.S7.Cl3.Br2.		4.0	774.9483	-0.3 mmu 
C25.H35.N1.O8.Cl4.Br2.		6.0	774.9484	-0.4 mmu 
C19.H28.N11.O3.F1.Cl4.Br2.		8.0	774.9481	-0.1 mmu 
C24.H30.N5.O2.F3.Cl4.Br2.		8.0	774.9472	+0.8 mmu 
C9.H26.N17.O3.F3.Cl4.Br2.		1.0	774.9477	+0.3 mmu 
C21.H31.N5.O3.F4.Cl4.Br2.		4.0	774.9484	-0.4 mmu 
C20.H32.N9.O3.P1.Cl4.Br2.		8.0	774.9487	-0.7 mmu 
C19.H36.N5.O7.P1.Cl4.Br2.		3.0	774.9473	+0.7 mmu 
C25.H34.N3.O2.F2.P1.Cl4.Br2.		8.0	774.9478	+0.2 mmu 
C10.H30.N15.O3.F2.P1.Cl4.Br2.		1.0	774.9483	-0.3 mmu 
C15.H32.N9.O2.F4.P1.Cl4.Br2.		1.0	774.9474	+0.6 mmu 
C14.H33.N13.O2.P2.Cl4.Br2.		5.0	774.9476	+0.4 mmu 
C26.H38.N1.O2.F1.P2.Cl4.Br2.		8.0	774.9483	-0.3 mmu 
C16.H36.N7.O2.F3.P2.Cl4.Br2.		1.0	774.9479	+0.1 mmu 
C20.H39.N5.O1.F1.P3.Cl4.Br2.		5.0	774.9472	+0.8 mmu 
C17.H40.N5.O2.F2.P3.Cl4.Br2.		1.0	774.9484	-0.4 mmu 
C21.H43.N3.O1.P4.Cl4.Br2.		5.0	774.9477	+0.3 mmu 
C15.H27.N17.S1.Cl4.Br2.		10.0	774.9477	+0.3 mmu 
C27.H32.N5.F1.S1.Cl4.Br2.		13.0	774.9483	-0.3 mmu 
C11.H32.N13.O5.F1.S1.Cl4.Br2.		1.0	774.9475	+0.5 mmu 
C23.H37.N1.O5.F2.S1.Cl4.Br2.		4.0	774.9481	-0.1 mmu 
C17.H30.N11.F3.S1.Cl4.Br2.		6.0	774.9479	+0.1 mmu 
C19.H33.N5.F6.S1.Cl4.Br2.		2.0	774.9482	-0.2 mmu 
C12.H36.N11.O5.P1.S1.Cl4.Br2.		1.0	774.9480	-0.0 mmu 
C18.H34.N9.F2.P1.S1.Cl4.Br2.		6.0	774.9484	-0.4 mmu 
C20.H37.N3.F5.P1.S1.Cl4.Br2.		2.0	774.9487	-0.7 mmu 
C18.H42.N3.O4.F1.P2.S1.Cl4.Br2.		1.0	774.9476	+0.4 mmu 
C19.H46.N1.O4.P3.S1.Cl4.Br2.		1.0	774.9481	-0.1 mmu 
C19.H36.N7.O2.F1.S2.Cl4.Br2.		6.0	774.9477	+0.3 mmu 
C21.H39.N1.O2.F4.S2.Cl4.Br2.		2.0	774.9479	+0.1 mmu 
C20.H40.N5.O2.P1.S2.Cl4.Br2.		6.0	774.9482	-0.2 mmu 
C18.H43.N3.O5.S3.Cl4.Br2.		2.0	774.9486	-0.6 mmu 
C12.H36.N13.F1.S3.Cl4.Br2.		4.0	774.9484	-0.4 mmu 
C14.H39.N7.F4.S3.Cl4.Br2.		0.0	774.9486	-0.6 mmu 
C16.H45.N3.O2.F2.S4.Cl4.Br2.		0.0	774.9484	-0.4 mmu 
C20.H48.N1.O1.P1.S4.Cl4.Br2.		4.0	774.9477	+0.3 mmu 
C20.H36.N5.O6.Cl5.Br2.		2.0	774.9475	+0.5 mmu 
C14.H29.N15.O1.F1.Cl5.Br2.		4.0	774.9473	+0.7 mmu 
C26.H34.N3.O1.F2.Cl5.Br2.		7.0	774.9479	+0.1 mmu 
C11.H30.N15.O2.F2.Cl5.Br2.		0.0	774.9484	-0.4 mmu 
C16.H32.N9.O1.F4.Cl5.Br2.		0.0	774.9475	+0.5 mmu 
C30.H37.N1.P1.Cl5.Br2.		11.0	774.9473	+0.7 mmu 
C15.H33.N13.O1.P1.Cl5.Br2.		4.0	774.9478	+0.2 mmu 
C27.H38.N1.O1.F1.P1.Cl5.Br2.		7.0	774.9484	-0.4 mmu 
C17.H36.N7.O1.F3.P1.Cl5.Br2.		0.0	774.9480	-0.0 mmu 
C21.H39.N5.F1.P2.Cl5.Br2.		4.0	774.9474	+0.6 mmu 
C18.H40.N5.O1.F2.P2.Cl5.Br2.		0.0	774.9486	-0.6 mmu 
C22.H43.N3.P3.Cl5.Br2.		4.0	774.9479	+0.1 mmu 
C13.H36.N11.O4.S1.Cl5.Br2.		0.0	774.9482	-0.2 mmu 
C18.H38.N5.O3.F2.S1.Cl5.Br2.		0.0	774.9473	+0.7 mmu 
C19.H42.N3.O3.F1.P1.S1.Cl5.Br2.		0.0	774.9478	+0.2 mmu 
C20.H46.N1.O3.P2.S1.Cl5.Br2.		0.0	774.9483	-0.3 mmu 
C21.H40.N5.O1.S2.Cl5.Br2.		5.0	774.9484	-0.4 mmu 
C15.H41.N9.P1.S2.Cl5.Br2.		2.0	774.9473	+0.7 mmu 
C21.H48.N1.S4.Cl5.Br2.		3.0	774.9479	+0.1 mmu 
C16.H33.N13.Cl6.Br2.		3.0	774.9480	+0.0 mmu 
C28.H38.N1.F1.Cl6.Br2.		6.0	774.9486	-0.6 mmu 
C23.H20.N15.O2.Br3.		20.0	774.9475	+0.5 mmu 
C25.H32.N1.O12.Br3.		9.0	774.9475	+0.5 mmu 
C35.H25.N3.O2.F1.Br3.		23.0	774.9481	-0.1 mmu 
C20.H21.N15.O3.F1.Br3.		16.0	774.9486	-0.6 mmu 
C19.H25.N11.O7.F1.Br3.		11.0	774.9473	+0.7 mmu 
C22.H33.N1.O13.F1.Br3.		5.0	774.9486	-0.6 mmu 
C16.H26.N11.O8.F2.Br3.		7.0	774.9484	-0.4 mmu 
C25.H23.N9.O2.F3.Br3.		16.0	774.9477	+0.3 mmu 
C21.H28.N5.O7.F4.Br3.		7.0	774.9475	+0.5 mmu 
C15.H21.N15.O2.F5.Br3.		9.0	774.9473	+0.7 mmu 
C18.H29.N5.O8.F5.Br3.		3.0	774.9486	-0.6 mmu 
C27.H26.N3.O2.F6.Br3.		12.0	774.9479	+0.1 mmu 
C12.H22.N15.O3.F6.Br3.		5.0	774.9484	-0.4 mmu 
C17.H24.N9.O2.F8.Br3.		5.0	774.9475	+0.5 mmu 
C14.H25.N9.O3.F9.Br3.		1.0	774.9487	-0.7 mmu 
C19.H27.N3.O2.F11.Br3.		1.0	774.9478	+0.2 mmu 
C36.H29.N1.O2.P1.Br3.		23.0	774.9486	-0.6 mmu 
C20.H29.N9.O7.P1.Br3.		11.0	774.9478	+0.2 mmu 
C14.H22.N19.O2.F1.P1.Br3.		13.0	774.9476	+0.4 mmu 
C16.H34.N5.O12.F1.P1.Br3.		2.0	774.9476	+0.4 mmu 
C26.H27.N7.O2.F2.P1.Br3.		16.0	774.9482	-0.2 mmu 
C11.H23.N19.O3.F2.P1.Br3.		9.0	774.9487	-0.7 mmu 
C10.H27.N15.O7.F2.P1.Br3.		4.0	774.9474	+0.6 mmu 
C22.H32.N3.O7.F3.P1.Br3.		7.0	774.9480	-0.0 mmu 
C31.H29.N1.O1.F4.P1.Br3.		16.0	774.9473	+0.7 mmu 
C16.H25.N13.O2.F4.P1.Br3.		9.0	774.9478	+0.2 mmu 
C28.H30.N1.O2.F5.P1.Br3.		12.0	774.9484	-0.4 mmu 
C12.H30.N9.O7.F5.P1.Br3.		0.0	774.9476	+0.4 mmu 
C18.H28.N7.O2.F7.P1.Br3.		5.0	774.9480	-0.0 mmu 
C20.H31.N1.O2.F10.P1.Br3.		1.0	774.9483	-0.3 mmu 
C30.H30.N5.O1.P2.Br3.		20.0	774.9476	+0.4 mmu 
C15.H26.N17.O2.P2.Br3.		13.0	774.9481	-0.1 mmu 
C17.H38.N3.O12.P2.Br3.		2.0	774.9481	-0.1 mmu 
C27.H31.N5.O2.F1.P2.Br3.		16.0	774.9487	-0.7 mmu 
C26.H35.N1.O6.F1.P2.Br3.		11.0	774.9474	+0.6 mmu 
C11.H31.N13.O7.F1.P2.Br3.		4.0	774.9479	+0.1 mmu 
C23.H36.N1.O7.F2.P2.Br3.		7.0	774.9485	-0.5 mmu 
C17.H29.N11.O2.F3.P2.Br3.		9.0	774.9483	-0.3 mmu 
C13.H34.N7.O7.F4.P2.Br3.		0.0	774.9481	-0.1 mmu 
C22.H31.N5.O1.F5.P2.Br3.		9.0	774.9474	+0.6 mmu 
C19.H32.N5.O2.F6.P2.Br3.		5.0	774.9486	-0.6 mmu 
C12.H35.N11.O7.P3.Br3.		4.0	774.9484	-0.4 mmu 
C21.H32.N9.O1.F1.P3.Br3.		13.0	774.9477	+0.3 mmu 
C17.H37.N5.O6.F2.P3.Br3.		4.0	774.9475	+0.5 mmu 
C11.H30.N15.O1.F3.P3.Br3.		6.0	774.9473	+0.7 mmu 
C14.H38.N5.O7.F3.P3.Br3.		0.0	774.9486	-0.6 mmu 
C23.H35.N3.O1.F4.P3.Br3.		9.0	774.9479	+0.1 mmu 
C13.H33.N9.O1.F6.P3.Br3.		2.0	774.9475	+0.5 mmu 
C22.H36.N7.O1.P4.Br3.		13.0	774.9482	-0.2 mmu 
C18.H41.N3.O6.F1.P4.Br3.		4.0	774.9480	+0.0 mmu 
C27.H38.N1.F2.P4.Br3.		13.0	774.9473	+0.7 mmu 
C24.H39.N1.O1.F3.P4.Br3.		9.0	774.9484	-0.4 mmu 
C14.H37.N7.O1.F5.P4.Br3.		2.0	774.9480	-0.0 mmu 
C19.H45.N1.O6.P5.Br3.		4.0	774.9485	-0.5 mmu 
C18.H40.N5.F3.P5.Br3.		6.0	774.9474	+0.6 mmu 
C19.H44.N3.F2.P6.Br3.		6.0	774.9479	+0.1 mmu 
C16.H20.N21.S1.Br3.		18.0	774.9481	-0.1 mmu 
C18.H32.N7.O10.S1.Br3.		7.0	774.9481	-0.1 mmu 
C27.H29.N5.O4.F1.S1.Br3.		16.0	774.9474	+0.6 mmu 
C12.H25.N17.O5.F1.S1.Br3.		9.0	774.9479	+0.1 mmu 
C24.H30.N5.O5.F2.S1.Br3.		12.0	774.9486	-0.6 mmu 
C23.H34.N1.O9.F2.S1.Br3.		7.0	774.9472	+0.8 mmu 
C18.H23.N15.F3.S1.Br3.		14.0	774.9484	-0.4 mmu 
C20.H35.N1.O10.F3.S1.Br3.		3.0	774.9484	-0.4 mmu 
C14.H28.N11.O5.F4.S1.Br3.		5.0	774.9482	-0.2 mmu 
C20.H26.N9.F6.S1.Br3.		10.0	774.9486	-0.6 mmu 
C19.H30.N5.O4.F6.S1.Br3.		5.0	774.9473	+0.7 mmu 
C16.H31.N5.O5.F7.S1.Br3.		1.0	774.9484	-0.4 mmu 
C10.H24.N15.F8.S1.Br3.		3.0	774.9482	-0.2 mmu 
C28.H33.N3.O4.P1.S1.Br3.		16.0	774.9480	+0.0 mmu 
C13.H29.N15.O5.P1.S1.Br3.		9.0	774.9485	-0.5 mmu 
C18.H31.N9.O4.F2.P1.S1.Br3.		9.0	774.9476	+0.4 mmu 
C15.H32.N9.O5.F3.P1.S1.Br3.		5.0	774.9487	-0.7 mmu 
C14.H36.N5.O9.F3.P1.S1.Br3.		0.0	774.9474	+0.6 mmu 
C20.H34.N3.O4.F5.P1.S1.Br3.		5.0	774.9478	+0.2 mmu 
C11.H28.N13.F7.P1.S1.Br3.		3.0	774.9487	-0.7 mmu 
C19.H35.N7.O4.F1.P2.S1.Br3.		9.0	774.9481	-0.1 mmu 
C15.H40.N3.O9.F2.P2.S1.Br3.		0.0	774.9479	+0.1 mmu 
C21.H38.N1.O4.F4.P2.S1.Br3.		5.0	774.9483	-0.3 mmu 
C20.H39.N5.O4.P3.S1.Br3.		9.0	774.9486	-0.6 mmu 
C19.H43.N1.O8.P3.S1.Br3.		4.0	774.9472	+0.8 mmu 
C16.H44.N1.O9.F1.P3.S1.Br3.		0.0	774.9484	-0.4 mmu 
C15.H39.N5.O3.F4.P3.S1.Br3.		2.0	774.9473	+0.7 mmu 
C14.H40.N9.O3.P4.S1.Br3.		6.0	774.9475	+0.5 mmu 
C16.H43.N3.O3.F3.P4.S1.Br3.		2.0	774.9478	+0.2 mmu 
C17.H47.N1.O3.F2.P5.S1.Br3.		2.0	774.9483	-0.3 mmu 
C26.H36.N1.O7.S2.Br3.		12.0	774.9483	-0.3 mmu 
C20.H29.N11.O2.F1.S2.Br3.		14.0	774.9481	-0.1 mmu 
C16.H34.N7.O7.F2.S2.Br3.		5.0	774.9479	+0.1 mmu 
C10.H27.N17.O2.F3.S2.Br3.		7.0	774.9477	+0.3 mmu 
C22.H32.N5.O2.F4.S2.Br3.		10.0	774.9484	-0.4 mmu 
C18.H37.N1.O7.F5.S2.Br3.		1.0	774.9482	-0.2 mmu 
C12.H30.N11.O2.F6.S2.Br3.		3.0	774.9480	+0.0 mmu 
C21.H33.N9.O2.P1.S2.Br3.		14.0	774.9486	-0.6 mmu 
C20.H37.N5.O6.P1.S2.Br3.		9.0	774.9473	+0.7 mmu 
C17.H38.N5.O7.F1.P1.S2.Br3.		5.0	774.9484	-0.4 mmu 
C26.H35.N3.O1.F2.P1.S2.Br3.		14.0	774.9477	+0.3 mmu 
C11.H31.N15.O2.F2.P1.S2.Br3.		7.0	774.9482	-0.2 mmu 
C16.H33.N9.O1.F4.P1.S2.Br3.		7.0	774.9473	+0.7 mmu 
C13.H34.N9.O2.F5.P1.S2.Br3.		3.0	774.9485	-0.5 mmu 
C18.H36.N3.O1.F7.P1.S2.Br3.		3.0	774.9476	+0.4 mmu 
C15.H34.N13.O1.P2.S2.Br3.		11.0	774.9476	+0.4 mmu 
C27.H39.N1.O1.F1.P2.S2.Br3.		14.0	774.9482	-0.2 mmu 
C12.H35.N13.O2.F1.P2.S2.Br3.		7.0	774.9487	-0.7 mmu 
C17.H37.N7.O1.F3.P2.S2.Br3.		7.0	774.9478	+0.2 mmu 
C19.H40.N1.O1.F6.P2.S2.Br3.		3.0	774.9481	-0.1 mmu 
C18.H41.N5.O1.F2.P3.S2.Br3.		7.0	774.9484	-0.4 mmu 
C22.H44.N3.P4.S2.Br3.		11.0	774.9477	+0.3 mmu 
C18.H40.N3.O9.S3.Br3.		5.0	774.9477	+0.3 mmu 
C12.H33.N13.O4.F1.S3.Br3.		7.0	774.9475	+0.5 mmu 
C24.H38.N1.O4.F2.S3.Br3.		10.0	774.9481	-0.1 mmu 
C14.H36.N7.O4.F4.S3.Br3.		3.0	774.9477	+0.3 mmu 
C13.H37.N11.O4.P1.S3.Br3.		7.0	774.9480	+0.0 mmu 
C15.H40.N5.O4.F3.P1.S3.Br3.		3.0	774.9482	-0.2 mmu 
C19.H43.N3.O3.F1.P2.S3.Br3.		7.0	774.9476	+0.4 mmu 
C16.H44.N3.O4.F2.P2.S3.Br3.		3.0	774.9487	-0.7 mmu 
C20.H47.N1.O3.P3.S3.Br3.		7.0	774.9481	-0.1 mmu 
C20.H37.N7.O1.F1.S4.Br3.		12.0	774.9477	+0.3 mmu 
C16.H42.N3.O6.F2.S4.Br3.		3.0	774.9475	+0.5 mmu 
C22.H40.N1.O1.F4.S4.Br3.		8.0	774.9479	+0.1 mmu 
C21.H41.N5.O1.P1.S4.Br3.		12.0	774.9482	-0.2 mmu 
C17.H46.N1.O6.F1.P1.S4.Br3.		3.0	774.9480	+0.0 mmu 
C17.H45.N3.F3.P2.S4.Br3.		5.0	774.9474	+0.6 mmu 
C18.H49.N1.F2.P3.S4.Br3.		5.0	774.9479	+0.1 mmu 
C19.H44.N3.O4.S5.Br3.		8.0	774.9485	-0.5 mmu 
C17.H46.N3.O1.F2.S6.Br3.		6.0	774.9483	-0.3 mmu 
C21.H49.N1.P1.S6.Br3.		10.0	774.9477	+0.3 mmu 
C21.H29.N9.O6.Cl1.Br3.		10.0	774.9479	+0.1 mmu 
C30.H26.N7.F1.Cl1.Br3.		19.0	774.9472	+0.8 mmu 
C15.H22.N19.O1.F1.Cl1.Br3.		12.0	774.9477	+0.3 mmu 
C17.H34.N5.O11.F1.Cl1.Br3.		1.0	774.9478	+0.2 mmu 
C27.H27.N7.O1.F2.Cl1.Br3.		15.0	774.9484	-0.4 mmu 
C11.H27.N15.O6.F2.Cl1.Br3.		3.0	774.9475	+0.5 mmu 
C23.H32.N3.O6.F3.Cl1.Br3.		6.0	774.9482	-0.2 mmu 
C32.H29.N1.F4.Cl1.Br3.		15.0	774.9475	+0.5 mmu 
C17.H25.N13.O1.F4.Cl1.Br3.		8.0	774.9480	+0.0 mmu 
C29.H30.N1.O1.F5.Cl1.Br3.		11.0	774.9486	-0.6 mmu 
C19.H28.N7.O1.F7.Cl1.Br3.		4.0	774.9482	-0.2 mmu 
C24.H30.N1.F9.Cl1.Br3.		4.0	774.9473	+0.7 mmu 
C21.H31.N1.O1.F10.Cl1.Br3.		0.0	774.9485	-0.5 mmu 
C31.H30.N5.P1.Cl1.Br3.		19.0	774.9477	+0.3 mmu 
C16.H26.N17.O1.P1.Cl1.Br3.		12.0	774.9483	-0.3 mmu 
C18.H38.N3.O11.P1.Cl1.Br3.		1.0	774.9483	-0.3 mmu 
C27.H35.N1.O5.F1.P1.Cl1.Br3.		10.0	774.9476	+0.4 mmu 
C12.H31.N13.O6.F1.P1.Cl1.Br3.		3.0	774.9481	-0.1 mmu 
C21.H28.N11.F2.P1.Cl1.Br3.		12.0	774.9473	+0.7 mmu 
C24.H36.N1.O6.F2.P1.Cl1.Br3.		6.0	774.9487	-0.7 mmu 
C18.H29.N11.O1.F3.P1.Cl1.Br3.		8.0	774.9485	-0.5 mmu 
C23.H31.N5.F5.P1.Cl1.Br3.		8.0	774.9476	+0.4 mmu 
C20.H32.N5.O1.F6.P1.Cl1.Br3.		4.0	774.9487	-0.7 mmu 
C13.H35.N11.O6.P2.Cl1.Br3.		3.0	774.9486	-0.6 mmu 
C22.H32.N9.F1.P2.Cl1.Br3.		12.0	774.9479	+0.1 mmu 
C18.H37.N5.O5.F2.P2.Cl1.Br3.		3.0	774.9477	+0.3 mmu 
C12.H30.N15.F3.P2.Cl1.Br3.		5.0	774.9475	+0.5 mmu 
C24.H35.N3.F4.P2.Cl1.Br3.		8.0	774.9481	-0.1 mmu 
C14.H33.N9.F6.P2.Cl1.Br3.		1.0	774.9477	+0.3 mmu 
C23.H36.N7.P3.Cl1.Br3.		12.0	774.9484	-0.4 mmu 
C19.H41.N3.O5.F1.P3.Cl1.Br3.		3.0	774.9482	-0.2 mmu 
C13.H34.N13.F2.P3.Cl1.Br3.		5.0	774.9480	+0.0 mmu 
C25.H39.N1.F3.P3.Cl1.Br3.		8.0	774.9486	-0.6 mmu 
C15.H37.N7.F5.P3.Cl1.Br3.		1.0	774.9482	-0.2 mmu 
C20.H45.N1.O5.P4.Cl1.Br3.		3.0	774.9487	-0.7 mmu 
C14.H38.N11.F1.P4.Cl1.Br3.		5.0	774.9485	-0.5 mmu 
C16.H41.N5.F4.P4.Cl1.Br3.		1.0	774.9487	-0.7 mmu 
C29.H33.N3.O3.S1.Cl1.Br3.		15.0	774.9481	-0.1 mmu 
C14.H29.N15.O4.S1.Cl1.Br3.		8.0	774.9486	-0.6 mmu 
C13.H33.N11.O8.S1.Cl1.Br3.		3.0	774.9473	+0.7 mmu 
C19.H31.N9.O3.F2.S1.Cl1.Br3.		8.0	774.9477	+0.3 mmu 
C21.H34.N3.O3.F5.S1.Cl1.Br3.		4.0	774.9480	+0.0 mmu 
C20.H35.N7.O3.F1.P1.S1.Cl1.Br3.		8.0	774.9482	-0.2 mmu 
C25.H37.N1.O2.F3.P1.S1.Cl1.Br3.		8.0	774.9473	+0.7 mmu 
C22.H38.N1.O3.F4.P1.S1.Cl1.Br3.		4.0	774.9485	-0.5 mmu 
C21.H39.N5.O3.P2.S1.Cl1.Br3.		8.0	774.9487	-0.7 mmu 
C20.H43.N1.O7.P2.S1.Cl1.Br3.		3.0	774.9474	+0.6 mmu 
C16.H39.N5.O2.F4.P2.S1.Cl1.Br3.		1.0	774.9474	+0.6 mmu 
C15.H40.N9.O2.P3.S1.Cl1.Br3.		5.0	774.9477	+0.3 mmu 
C17.H43.N3.O2.F3.P3.S1.Cl1.Br3.		1.0	774.9480	+0.0 mmu 
C21.H46.N1.O1.F1.P4.S1.Cl1.Br3.		5.0	774.9473	+0.7 mmu 
C18.H47.N1.O2.F2.P4.S1.Cl1.Br3.		1.0	774.9485	-0.5 mmu 
C21.H37.N5.O5.S2.Cl1.Br3.		8.0	774.9475	+0.5 mmu 
C15.H30.N15.F1.S2.Cl1.Br3.		10.0	774.9473	+0.7 mmu 
C18.H38.N5.O6.F1.S2.Cl1.Br3.		4.0	774.9486	-0.6 mmu 
C27.H35.N3.F2.S2.Cl1.Br3.		13.0	774.9479	+0.1 mmu 
C12.H31.N15.O1.F2.S2.Cl1.Br3.		6.0	774.9484	-0.4 mmu 
C17.H33.N9.F4.S2.Cl1.Br3.		6.0	774.9475	+0.5 mmu 
C14.H34.N9.O1.F5.S2.Cl1.Br3.		2.0	774.9487	-0.7 mmu 
C19.H36.N3.F7.S2.Cl1.Br3.		2.0	774.9478	+0.2 mmu 
C16.H34.N13.P1.S2.Cl1.Br3.		10.0	774.9478	+0.2 mmu 
C28.H39.N1.F1.P1.S2.Cl1.Br3.		13.0	774.9484	-0.4 mmu 
C18.H37.N7.F3.P1.S2.Cl1.Br3.		6.0	774.9480	-0.0 mmu 
C20.H40.N1.F6.P1.S2.Cl1.Br3.		2.0	774.9483	-0.3 mmu 
C19.H41.N5.F2.P2.S2.Cl1.Br3.		6.0	774.9485	-0.5 mmu 
C14.H37.N11.O3.S3.Cl1.Br3.		6.0	774.9482	-0.2 mmu 
C19.H39.N5.O2.F2.S3.Cl1.Br3.		6.0	774.9473	+0.7 mmu 
C16.H40.N5.O3.F3.S3.Cl1.Br3.		2.0	774.9484	-0.4 mmu 
C20.H43.N3.O2.F1.P1.S3.Cl1.Br3.		6.0	774.9478	+0.2 mmu 
C21.H47.N1.O2.P2.S3.Cl1.Br3.		6.0	774.9483	-0.3 mmu 
C22.H41.N5.S4.Cl1.Br3.		11.0	774.9483	-0.3 mmu 
C18.H46.N1.O5.F1.S4.Cl1.Br3.		2.0	774.9482	-0.2 mmu 
C14.H42.N5.F5.S4.Cl1.Br3.		0.0	774.9482	-0.2 mmu 
C16.H48.N1.O2.F3.S5.Cl1.Br3.		0.0	774.9479	+0.1 mmu 
C17.H26.N17.Cl2.Br3.		11.0	774.9484	-0.4 mmu 
C19.H38.N3.O10.Cl2.Br3.		0.0	774.9484	-0.4 mmu 
C28.H35.N1.O4.F1.Cl2.Br3.		9.0	774.9477	+0.3 mmu 
C13.H31.N13.O5.F1.Cl2.Br3.		2.0	774.9482	-0.2 mmu 
C19.H29.N11.F3.Cl2.Br3.		7.0	774.9487	-0.7 mmu 
C18.H33.N7.O4.F3.Cl2.Br3.		2.0	774.9473	+0.7 mmu 
C9.H27.N17.F5.Cl2.Br3.		0.0	774.9483	-0.3 mmu 
C14.H35.N11.O5.P1.Cl2.Br3.		2.0	774.9487	-0.7 mmu 
C19.H37.N5.O4.F2.P1.Cl2.Br3.		2.0	774.9478	+0.2 mmu 
C20.H41.N3.O4.F1.P2.Cl2.Br3.		2.0	774.9484	-0.4 mmu 
C24.H34.N7.O1.S1.Cl2.Br3.		11.0	774.9473	+0.7 mmu 
C21.H35.N7.O2.F1.S1.Cl2.Br3.		7.0	774.9484	-0.4 mmu 
C26.H37.N1.O1.F3.S1.Cl2.Br3.		7.0	774.9475	+0.5 mmu 
C11.H33.N13.O2.F3.S1.Cl2.Br3.		0.0	774.9480	-0.0 mmu 
C23.H38.N1.O2.F4.S1.Cl2.Br3.		3.0	774.9487	-0.7 mmu 
C21.H43.N1.O6.P1.S1.Cl2.Br3.		2.0	774.9476	+0.4 mmu 
C15.H36.N11.O1.F1.P1.S1.Cl2.Br3.		4.0	774.9474	+0.6 mmu 
C17.H39.N5.O1.F4.P1.S1.Cl2.Br3.		0.0	774.9476	+0.4 mmu 
C16.H40.N9.O1.P2.S1.Cl2.Br3.		4.0	774.9479	+0.1 mmu 
C18.H43.N3.O1.F3.P2.S1.Cl2.Br3.		0.0	774.9481	-0.1 mmu 
C22.H46.N1.F1.P3.S1.Cl2.Br3.		4.0	774.9475	+0.5 mmu 
C19.H47.N1.O1.F2.P3.S1.Cl2.Br3.		0.0	774.9486	-0.6 mmu 
C13.H39.N9.O4.F1.S2.Cl2.Br3.		0.0	774.9478	+0.2 mmu 
C19.H45.N1.O3.F2.P1.S2.Cl2.Br3.		0.0	774.9474	+0.6 mmu 
C21.H43.N3.O1.F1.S3.Cl2.Br3.		5.0	774.9479	+0.1 mmu 
C22.H47.N1.O1.P1.S3.Cl2.Br3.		5.0	774.9485	-0.5 mmu 
C16.H48.N5.P2.S3.Cl2.Br3.		2.0	774.9474	+0.6 mmu 
C20.H37.N5.O3.F2.Cl3.Br3.		1.0	774.9480	-0.0 mmu 
C24.H40.N3.O2.P1.Cl3.Br3.		5.0	774.9474	+0.6 mmu 
C21.H41.N3.O3.F1.P1.Cl3.Br3.		1.0	774.9485	-0.5 mmu 
C22.H43.N1.O5.S1.Cl3.Br3.		1.0	774.9478	+0.2 mmu 
C16.H36.N11.F1.S1.Cl3.Br3.		3.0	774.9476	+0.4 mmu 
C17.H40.N9.P1.S1.Cl3.Br3.		3.0	774.9481	-0.1 mmu 
C23.H47.N1.S3.Cl3.Br3.		4.0	774.9486	-0.6 mmu 
C25.H40.N3.O1.Cl4.Br3.		4.0	774.9476	+0.4 mmu 
C22.H41.N3.O2.F1.Cl4.Br3.		0.0	774.9487	-0.7 mmu 
C26.H33.N7.O1.Br4.		12.0	774.9480	-0.0 mmu 
C11.H29.N19.O2.Br4.		5.0	774.9485	-0.5 mmu 
C22.H38.N3.O6.F1.Br4.		3.0	774.9478	+0.2 mmu 
C16.H31.N13.O1.F2.Br4.		5.0	774.9476	+0.4 mmu 
C28.H36.N1.O1.F3.Br4.		8.0	774.9482	-0.2 mmu 
C13.H32.N13.O2.F3.Br4.		1.0	774.9488	-0.8 mmu 
C18.H34.N7.O1.F5.Br4.		1.0	774.9479	+0.1 mmu 
C23.H42.N1.O6.P1.Br4.		3.0	774.9483	-0.3 mmu 
C17.H35.N11.O1.F1.P1.Br4.		5.0	774.9481	-0.1 mmu 
C19.H38.N5.O1.F4.P1.Br4.		1.0	774.9484	-0.4 mmu 
C18.H39.N9.O1.P2.Br4.		5.0	774.9486	-0.6 mmu 
C17.H43.N5.O5.P2.Br4.		0.0	774.9473	+0.7 mmu 
C23.H41.N3.F2.P2.Br4.		5.0	774.9477	+0.3 mmu 
C24.H45.N1.F1.P3.Br4.		5.0	774.9482	-0.2 mmu 
C18.H37.N9.O3.S1.Br4.		5.0	774.9474	+0.6 mmu 
C15.H38.N9.O4.F1.S1.Br4.		1.0	774.9485	-0.5 mmu 
C20.H40.N3.O3.F3.S1.Br4.		1.0	774.9476	+0.4 mmu 
C21.H44.N1.O3.F2.P1.S1.Br4.		1.0	774.9481	-0.1 mmu 
C26.H41.N3.S2.Br4.		10.0	774.9475	+0.5 mmu 
C23.H42.N3.O1.F1.S2.Br4.		6.0	774.9487	-0.7 mmu 
C17.H43.N7.F1.P1.S2.Br4.		3.0	774.9477	+0.3 mmu 
C18.H47.N5.P2.S2.Br4.		3.0	774.9482	-0.2 mmu 
C24.H42.N1.O5.Cl1.Br4.		2.0	774.9485	-0.5 mmu 
C18.H35.N11.F1.Cl1.Br4.		4.0	774.9483	-0.3 mmu 
C20.H38.N5.F4.Cl1.Br4.		0.0	774.9485	-0.5 mmu 
C22.H44.N1.O2.F2.S1.Cl1.Br4.		0.0	774.9483	-0.3 mmu 

8597 formulas found in    109 seconds by evaluating 5272686831 formulae.
RDBs are overloaded to maximum valence values (N=3,P=5,S=6).
