
Text      	Paclitaxl_MicroTOF_853.3325Da_2ppm_5iae
Composition	C:0-72 H:0-164 N:0-25 O:0-28 F:0-12 P:0-12 S:0-12 Cl:0-14 Br:0-10 
Tol (mmu)	1.7
Measured	853.3325
Charge  	+0.0
C46.H35.N19.		39.0	853.3323	+0.2 mmu 
C45.H39.N15.O4.		34.0	853.3309	+1.6 mmu 
C49.H43.N9.O6.		33.0	853.3336	-1.1 mmu 
C34.H39.N21.O7.		26.0	853.3341	-1.6 mmu 
C48.H47.N5.O10.		28.0	853.3323	+0.2 mmu 
C33.H43.N17.O11.		21.0	853.3328	-0.3 mmu 
C47.H51.N1.O14.		23.0	853.3310	+1.5 mmu 
C32.H47.N13.O15.		16.0	853.3315	+1.0 mmu 
C17.H43.N25.O16.		9.0	853.3320	+0.5 mmu 
C36.H51.N7.O17.		15.0	853.3341	-1.6 mmu 
C35.H55.N3.O21.		10.0	853.3328	-0.3 mmu 
C20.H51.N15.O22.		3.0	853.3333	-0.8 mmu 
C58.H40.N7.F1.		42.0	853.3329	-0.4 mmu 
C43.H36.N19.O1.F1.		35.0	853.3334	-0.9 mmu 
C57.H44.N3.O4.F1.		37.0	853.3316	+0.9 mmu 
C42.H40.N15.O5.F1.		30.0	853.3321	+0.4 mmu 
C26.H40.N23.O10.F1.		18.0	853.3313	+1.2 mmu 
C45.H48.N5.O11.F1.		24.0	853.3334	-0.9 mmu 
C30.H44.N17.O12.F1.		17.0	853.3339	-1.4 mmu 
C44.H52.N1.O15.F1.		19.0	853.3321	+0.4 mmu 
C29.H48.N13.O16.F1.		12.0	853.3326	-0.1 mmu 
C28.H52.N9.O20.F1.		7.0	853.3313	+1.2 mmu 
C32.H56.N3.O22.F1.		6.0	853.3339	-1.4 mmu 
C36.H33.N25.F2.		32.0	853.3319	+0.6 mmu 
C55.H41.N7.O1.F2.		38.0	853.3341	-1.6 mmu 
C54.H45.N3.O5.F2.		33.0	853.3327	-0.2 mmu 
C39.H41.N15.O6.F2.		26.0	853.3332	-0.7 mmu 
C38.H45.N11.O10.F2.		21.0	853.3319	+0.6 mmu 
C23.H41.N23.O11.F2.		14.0	853.3324	+0.1 mmu 
C22.H45.N19.O15.F2.		9.0	853.3311	+1.4 mmu 
C41.H53.N1.O16.F2.		15.0	853.3332	-0.7 mmu 
C26.H49.N13.O17.F2.		8.0	853.3337	-1.2 mmu 
C25.H53.N9.O21.F2.		3.0	853.3324	+0.1 mmu 
C48.H38.N13.F3.		35.0	853.3325	-0.0 mmu 
C33.H34.N25.O1.F3.		28.0	853.3330	-0.5 mmu 
C47.H42.N9.O4.F3.		30.0	853.3312	+1.3 mmu 
C32.H38.N21.O5.F3.		23.0	853.3317	+0.8 mmu 
C51.H46.N3.O6.F3.		29.0	853.3339	-1.4 mmu 
C35.H46.N11.O11.F3.		17.0	853.3330	-0.5 mmu 
C20.H42.N23.O12.F3.		10.0	853.3335	-1.0 mmu 
C34.H50.N7.O15.F3.		12.0	853.3317	+0.8 mmu 
C19.H46.N19.O16.F3.		5.0	853.3322	+0.3 mmu 
C18.H50.N15.O20.F3.		0.0	853.3309	+1.6 mmu 
C60.H43.N1.F4.		38.0	853.3332	-0.7 mmu 
C45.H39.N13.O1.F4.		31.0	853.3337	-1.2 mmu 
C30.H35.N25.O2.F4.		24.0	853.3342	-1.7 mmu 
C44.H43.N9.O5.F4.		26.0	853.3323	+0.2 mmu 
C29.H39.N21.O6.F4.		19.0	853.3328	-0.3 mmu 
C43.H47.N5.O9.F4.		21.0	853.3310	+1.5 mmu 
C28.H43.N17.O10.F4.		14.0	853.3315	+1.0 mmu 
C32.H47.N11.O12.F4.		13.0	853.3342	-1.7 mmu 
C31.H51.N7.O16.F4.		8.0	853.3328	-0.3 mmu 
C16.H47.N19.O17.F4.		1.0	853.3333	-0.8 mmu 
C30.H55.N3.O20.F4.		3.0	853.3315	+1.0 mmu 
C38.H36.N19.F5.		28.0	853.3321	+0.4 mmu 
C41.H44.N9.O6.F5.		22.0	853.3335	-1.0 mmu 
C26.H40.N21.O7.F5.		15.0	853.3340	-1.5 mmu 
C40.H48.N5.O10.F5.		17.0	853.3321	+0.4 mmu 
C25.H44.N17.O11.F5.		10.0	853.3326	-0.1 mmu 
C39.H52.N1.O14.F5.		12.0	853.3308	+1.7 mmu 
C24.H48.N13.O15.F5.		5.0	853.3313	+1.2 mmu 
C28.H52.N7.O17.F5.		4.0	853.3340	-1.5 mmu 
C50.H41.N7.F6.		31.0	853.3328	-0.3 mmu 
C35.H37.N19.O1.F6.		24.0	853.3333	-0.8 mmu 
C49.H45.N3.O4.F6.		26.0	853.3314	+1.1 mmu 
C34.H41.N15.O5.F6.		19.0	853.3319	+0.6 mmu 
C18.H41.N23.O10.F6.		7.0	853.3311	+1.4 mmu 
C37.H49.N5.O11.F6.		13.0	853.3333	-0.8 mmu 
C22.H45.N17.O12.F6.		6.0	853.3338	-1.3 mmu 
C36.H53.N1.O15.F6.		8.0	853.3319	+0.6 mmu 
C21.H49.N13.O16.F6.		1.0	853.3324	+0.1 mmu 
C28.H34.N25.F7.		21.0	853.3317	+0.8 mmu 
C47.H42.N7.O1.F7.		27.0	853.3339	-1.4 mmu 
C46.H46.N3.O5.F7.		22.0	853.3326	-0.1 mmu 
C31.H42.N15.O6.F7.		15.0	853.3331	-0.6 mmu 
C30.H46.N11.O10.F7.		10.0	853.3317	+0.8 mmu 
C15.H42.N23.O11.F7.		3.0	853.3322	+0.3 mmu 
C33.H54.N1.O16.F7.		4.0	853.3331	-0.6 mmu 
C40.H39.N13.F8.		24.0	853.3324	+0.1 mmu 
C25.H35.N25.O1.F8.		17.0	853.3329	-0.4 mmu 
C39.H43.N9.O4.F8.		19.0	853.3310	+1.5 mmu 
C24.H39.N21.O5.F8.		12.0	853.3315	+1.0 mmu 
C43.H47.N3.O6.F8.		18.0	853.3337	-1.2 mmu 
C27.H47.N11.O11.F8.		6.0	853.3329	-0.4 mmu 
C26.H51.N7.O15.F8.		1.0	853.3315	+1.0 mmu 
C52.H44.N1.F9.		27.0	853.3330	-0.5 mmu 
C37.H40.N13.O1.F9.		20.0	853.3335	-1.0 mmu 
C22.H36.N25.O2.F9.		13.0	853.3340	-1.5 mmu 
C36.H44.N9.O5.F9.		15.0	853.3322	+0.3 mmu 
C21.H40.N21.O6.F9.		8.0	853.3327	-0.2 mmu 
C35.H48.N5.O9.F9.		10.0	853.3308	+1.7 mmu 
C20.H44.N17.O10.F9.		3.0	853.3313	+1.2 mmu 
C24.H48.N11.O12.F9.		2.0	853.3340	-1.5 mmu 
C30.H37.N19.F10.		17.0	853.3320	+0.5 mmu 
C49.H45.N1.O1.F10.		23.0	853.3341	-1.6 mmu 
C33.H45.N9.O6.F10.		11.0	853.3333	-0.8 mmu 
C18.H41.N21.O7.F10.		4.0	853.3338	-1.3 mmu 
C32.H49.N5.O10.F10.		6.0	853.3320	+0.5 mmu 
C42.H42.N7.F11.		20.0	853.3326	-0.1 mmu 
C27.H38.N19.O1.F11.		13.0	853.3331	-0.6 mmu 
C41.H46.N3.O4.F11.		15.0	853.3313	+1.2 mmu 
C26.H42.N15.O5.F11.		8.0	853.3318	+0.7 mmu 
C29.H50.N5.O11.F11.		2.0	853.3331	-0.6 mmu 
C20.H35.N25.F12.		10.0	853.3316	+0.9 mmu 
C39.H43.N7.O1.F12.		16.0	853.3337	-1.2 mmu 
C38.H47.N3.O5.F12.		11.0	853.3324	+0.1 mmu 
C23.H43.N15.O6.F12.		4.0	853.3329	-0.4 mmu 
C59.H44.N5.P1.		42.0	853.3334	-0.9 mmu 
C44.H40.N17.O1.P1.		35.0	853.3339	-1.4 mmu 
C58.H48.N1.O4.P1.		37.0	853.3321	+0.4 mmu 
C43.H44.N13.O5.P1.		30.0	853.3326	-0.1 mmu 
C28.H40.N25.O6.P1.		23.0	853.3331	-0.6 mmu 
C42.H48.N9.O9.P1.		25.0	853.3313	+1.2 mmu 
C27.H44.N21.O10.P1.		18.0	853.3318	+0.7 mmu 
C46.H52.N3.O11.P1.		24.0	853.3339	-1.4 mmu 
C30.H52.N11.O16.P1.		12.0	853.3331	-0.6 mmu 
C29.H56.N7.O20.P1.		7.0	853.3318	+0.7 mmu 
C37.H37.N23.F1.P1.		32.0	853.3324	+0.1 mmu 
C36.H41.N19.O4.F1.P1.		27.0	853.3311	+1.4 mmu 
C55.H49.N1.O5.F1.P1.		33.0	853.3332	-0.7 mmu 
C40.H45.N13.O6.F1.P1.		26.0	853.3337	-1.2 mmu 
C39.H49.N9.O10.F1.P1.		21.0	853.3324	+0.1 mmu 
C24.H45.N21.O11.F1.P1.		14.0	853.3329	-0.4 mmu 
C38.H53.N5.O14.F1.P1.		16.0	853.3311	+1.4 mmu 
C23.H49.N17.O15.F1.P1.		9.0	853.3316	+0.9 mmu 
C26.H57.N7.O21.F1.P1.		3.0	853.3329	-0.4 mmu 
C49.H42.N11.F2.P1.		35.0	853.3330	-0.5 mmu 
C34.H38.N23.O1.F2.P1.		28.0	853.3335	-1.0 mmu 
C48.H46.N7.O4.F2.P1.		30.0	853.3317	+0.8 mmu 
C33.H42.N19.O5.F2.P1.		23.0	853.3322	+0.3 mmu 
C32.H46.N15.O9.F2.P1.		18.0	853.3309	+1.6 mmu 
C36.H50.N9.O11.F2.P1.		17.0	853.3335	-1.0 mmu 
C21.H46.N21.O12.F2.P1.		10.0	853.3340	-1.5 mmu 
C35.H54.N5.O15.F2.P1.		12.0	853.3322	+0.3 mmu 
C20.H50.N17.O16.F2.P1.		5.0	853.3327	-0.2 mmu 
C34.H58.N1.O19.F2.P1.		7.0	853.3309	+1.6 mmu 
C19.H54.N13.O20.F2.P1.		0.0	853.3314	+1.1 mmu 
C46.H43.N11.O1.F3.P1.		31.0	853.3342	-1.7 mmu 
C45.H47.N7.O5.F3.P1.		26.0	853.3328	-0.3 mmu 
C30.H43.N19.O6.F3.P1.		19.0	853.3333	-0.8 mmu 
C44.H51.N3.O9.F3.P1.		21.0	853.3315	+1.0 mmu 
C29.H47.N15.O10.F3.P1.		14.0	853.3320	+0.5 mmu 
C32.H55.N5.O16.F3.P1.		8.0	853.3334	-0.9 mmu 
C17.H51.N17.O17.F3.P1.		1.0	853.3339	-1.4 mmu 
C31.H59.N1.O20.F3.P1.		3.0	853.3320	+0.5 mmu 
C39.H40.N17.F4.P1.		28.0	853.3326	-0.1 mmu 
C53.H48.N1.O3.F4.P1.		30.0	853.3308	+1.7 mmu 
C38.H44.N13.O4.F4.P1.		23.0	853.3313	+1.2 mmu 
C23.H40.N25.O5.F4.P1.		16.0	853.3318	+0.7 mmu 
C42.H48.N7.O6.F4.P1.		22.0	853.3340	-1.5 mmu 
C41.H52.N3.O10.F4.P1.		17.0	853.3326	-0.1 mmu 
C26.H48.N15.O11.F4.P1.		10.0	853.3331	-0.6 mmu 
C25.H52.N11.O15.F4.P1.		5.0	853.3318	+0.7 mmu 
C51.H45.N5.F5.P1.		31.0	853.3333	-0.8 mmu 
C36.H41.N17.O1.F5.P1.		24.0	853.3338	-1.3 mmu 
C50.H49.N1.O4.F5.P1.		26.0	853.3319	+0.6 mmu 
C35.H45.N13.O5.F5.P1.		19.0	853.3324	+0.1 mmu 
C20.H41.N25.O6.F5.P1.		12.0	853.3329	-0.4 mmu 
C34.H49.N9.O9.F5.P1.		14.0	853.3311	+1.4 mmu 
C19.H45.N21.O10.F5.P1.		7.0	853.3316	+0.9 mmu 
C38.H53.N3.O11.F5.P1.		13.0	853.3338	-1.3 mmu 
C22.H53.N11.O16.F5.P1.		1.0	853.3330	-0.5 mmu 
C29.H38.N23.F6.P1.		21.0	853.3322	+0.3 mmu 
C28.H42.N19.O4.F6.P1.		16.0	853.3309	+1.6 mmu 
C47.H50.N1.O5.F6.P1.		22.0	853.3331	-0.6 mmu 
C32.H46.N13.O6.F6.P1.		15.0	853.3336	-1.1 mmu 
C17.H42.N25.O7.F6.P1.		8.0	853.3341	-1.6 mmu 
C31.H50.N9.O10.F6.P1.		10.0	853.3322	+0.3 mmu 
C16.H46.N21.O11.F6.P1.		3.0	853.3327	-0.2 mmu 
C30.H54.N5.O14.F6.P1.		5.0	853.3309	+1.6 mmu 
C41.H43.N11.F7.P1.		24.0	853.3329	-0.4 mmu 
C26.H39.N23.O1.F7.P1.		17.0	853.3334	-0.9 mmu 
C40.H47.N7.O4.F7.P1.		19.0	853.3315	+1.0 mmu 
C25.H43.N19.O5.F7.P1.		12.0	853.3320	+0.5 mmu 
C28.H51.N9.O11.F7.P1.		6.0	853.3334	-0.9 mmu 
C27.H55.N5.O15.F7.P1.		1.0	853.3321	+0.4 mmu 
C38.H44.N11.O1.F8.P1.		20.0	853.3340	-1.5 mmu 
C37.H48.N7.O5.F8.P1.		15.0	853.3327	-0.2 mmu 
C22.H44.N19.O6.F8.P1.		8.0	853.3332	-0.7 mmu 
C36.H52.N3.O9.F8.P1.		10.0	853.3313	+1.2 mmu 
C21.H48.N15.O10.F8.P1.		3.0	853.3318	+0.7 mmu 
C31.H41.N17.F9.P1.		17.0	853.3325	+0.0 mmu 
C30.H45.N13.O4.F9.P1.		12.0	853.3311	+1.4 mmu 
C15.H41.N25.O5.F9.P1.		5.0	853.3316	+0.9 mmu 
C34.H49.N7.O6.F9.P1.		11.0	853.3338	-1.3 mmu 
C33.H53.N3.O10.F9.P1.		6.0	853.3325	+0.0 mmu 
C43.H46.N5.F10.P1.		20.0	853.3331	-0.6 mmu 
C28.H42.N17.O1.F10.P1.		13.0	853.3336	-1.1 mmu 
C42.H50.N1.O4.F10.P1.		15.0	853.3318	+0.7 mmu 
C27.H46.N13.O5.F10.P1.		8.0	853.3323	+0.2 mmu 
C26.H50.N9.O9.F10.P1.		3.0	853.3309	+1.6 mmu 
C30.H54.N3.O11.F10.P1.		2.0	853.3336	-1.1 mmu 
C21.H39.N23.F11.P1.		10.0	853.3321	+0.4 mmu 
C39.H51.N1.O5.F11.P1.		11.0	853.3329	-0.4 mmu 
C24.H47.N13.O6.F11.P1.		4.0	853.3334	-0.9 mmu 
C33.H44.N11.F12.P1.		13.0	853.3327	-0.2 mmu 
C18.H40.N23.O1.F12.P1.		6.0	853.3332	-0.7 mmu 
C32.H48.N7.O4.F12.P1.		8.0	853.3314	+1.1 mmu 
C17.H44.N19.O5.F12.P1.		1.0	853.3319	+0.6 mmu 
C36.H52.N1.O6.F12.P1.		7.0	853.3341	-1.6 mmu 
C38.H41.N21.P2.		32.0	853.3329	-0.4 mmu 
C52.H49.N5.O3.P2.		34.0	853.3311	+1.4 mmu 
C37.H45.N17.O4.P2.		27.0	853.3316	+0.9 mmu 
C40.H53.N7.O10.P2.		21.0	853.3329	-0.4 mmu 
C25.H49.N19.O11.P2.		14.0	853.3334	-0.9 mmu 
C39.H57.N3.O14.P2.		16.0	853.3316	+0.9 mmu 
C24.H53.N15.O15.P2.		9.0	853.3321	+0.4 mmu 
C27.H61.N5.O21.P2.		3.0	853.3334	-0.9 mmu 
C50.H46.N9.F1.P2.		35.0	853.3335	-1.0 mmu 
C35.H42.N21.O1.F1.P2.		28.0	853.3340	-1.5 mmu 
C49.H50.N5.O4.F1.P2.		30.0	853.3322	+0.3 mmu 
C34.H46.N17.O5.F1.P2.		23.0	853.3327	-0.2 mmu 
C48.H54.N1.O8.F1.P2.		25.0	853.3309	+1.6 mmu 
C33.H50.N13.O9.F1.P2.		18.0	853.3314	+1.1 mmu 
C18.H46.N25.O10.F1.P2.		11.0	853.3319	+0.6 mmu 
C37.H54.N7.O11.F1.P2.		17.0	853.3341	-1.6 mmu 
C36.H58.N3.O15.F1.P2.		12.0	853.3327	-0.2 mmu 
C21.H54.N15.O16.F1.P2.		5.0	853.3332	-0.7 mmu 
C20.H58.N11.O20.F1.P2.		0.0	853.3319	+0.6 mmu 
C27.H43.N23.O4.F2.P2.		20.0	853.3312	+1.3 mmu 
C46.H51.N5.O5.F2.P2.		26.0	853.3333	-0.8 mmu 
C31.H47.N17.O6.F2.P2.		19.0	853.3339	-1.4 mmu 
C45.H55.N1.O9.F2.P2.		21.0	853.3320	+0.5 mmu 
C30.H51.N13.O10.F2.P2.		14.0	853.3325	-0.0 mmu 
C29.H55.N9.O14.F2.P2.		9.0	853.3312	+1.3 mmu 
C33.H59.N3.O16.F2.P2.		8.0	853.3339	-1.4 mmu 
C40.H44.N15.F3.P2.		28.0	853.3331	-0.6 mmu 
C39.H48.N11.O4.F3.P2.		23.0	853.3318	+0.7 mmu 
C24.H44.N23.O5.F3.P2.		16.0	853.3323	+0.2 mmu 
C23.H48.N19.O9.F3.P2.		11.0	853.3310	+1.5 mmu 
C42.H56.N1.O10.F3.P2.		17.0	853.3332	-0.7 mmu 
C27.H52.N13.O11.F3.P2.		10.0	853.3337	-1.2 mmu 
C26.H56.N9.O15.F3.P2.		5.0	853.3323	+0.2 mmu 
C25.H60.N5.O19.F3.P2.		0.0	853.3310	+1.5 mmu 
C52.H49.N3.F4.P2.		31.0	853.3338	-1.3 mmu 
C36.H49.N11.O5.F4.P2.		19.0	853.3329	-0.4 mmu 
C21.H45.N23.O6.F4.P2.		12.0	853.3335	-1.0 mmu 
C35.H53.N7.O9.F4.P2.		14.0	853.3316	+0.9 mmu 
C20.H49.N19.O10.F4.P2.		7.0	853.3321	+0.4 mmu 
C23.H57.N9.O16.F4.P2.		1.0	853.3335	-1.0 mmu 
C30.H42.N21.F5.P2.		21.0	853.3327	-0.2 mmu 
C44.H50.N5.O3.F5.P2.		23.0	853.3309	+1.6 mmu 
C29.H46.N17.O4.F5.P2.		16.0	853.3314	+1.1 mmu 
C33.H50.N11.O6.F5.P2.		15.0	853.3341	-1.6 mmu 
C32.H54.N7.O10.F5.P2.		10.0	853.3328	-0.3 mmu 
C17.H50.N19.O11.F5.P2.		3.0	853.3333	-0.8 mmu 
C31.H58.N3.O14.F5.P2.		5.0	853.3314	+1.1 mmu 
C42.H47.N9.F6.P2.		24.0	853.3334	-0.9 mmu 
C27.H43.N21.O1.F6.P2.		17.0	853.3339	-1.4 mmu 
C41.H51.N5.O4.F6.P2.		19.0	853.3320	+0.5 mmu 
C26.H47.N17.O5.F6.P2.		12.0	853.3325	-0.0 mmu 
C25.H51.N13.O9.F6.P2.		7.0	853.3312	+1.3 mmu 
C29.H55.N7.O11.F6.P2.		6.0	853.3339	-1.4 mmu 
C28.H59.N3.O15.F6.P2.		1.0	853.3326	-0.1 mmu 
C19.H44.N23.O4.F7.P2.		9.0	853.3310	+1.5 mmu 
C38.H52.N5.O5.F7.P2.		15.0	853.3332	-0.7 mmu 
C23.H48.N17.O6.F7.P2.		8.0	853.3337	-1.2 mmu 
C37.H56.N1.O9.F7.P2.		10.0	853.3319	+0.6 mmu 
C22.H52.N13.O10.F7.P2.		3.0	853.3324	+0.1 mmu 
C32.H45.N15.F8.P2.		17.0	853.3330	-0.5 mmu 
C31.H49.N11.O4.F8.P2.		12.0	853.3316	+0.9 mmu 
C16.H45.N23.O5.F8.P2.		5.0	853.3322	+0.3 mmu 
C34.H57.N1.O10.F8.P2.		6.0	853.3330	-0.5 mmu 
C44.H50.N3.F9.P2.		20.0	853.3336	-1.1 mmu 
C29.H46.N15.O1.F9.P2.		13.0	853.3341	-1.6 mmu 
C28.H50.N11.O5.F9.P2.		8.0	853.3328	-0.3 mmu 
C27.H54.N7.O9.F9.P2.		3.0	853.3315	+1.0 mmu 
C31.H58.N1.O11.F9.P2.		2.0	853.3341	-1.6 mmu 
C22.H43.N21.F10.P2.		10.0	853.3326	-0.1 mmu 
C21.H47.N17.O4.F10.P2.		5.0	853.3312	+1.3 mmu 
C25.H51.N11.O6.F10.P2.		4.0	853.3339	-1.4 mmu 
C34.H48.N9.F11.P2.		13.0	853.3332	-0.7 mmu 
C19.H44.N21.O1.F11.P2.		6.0	853.3337	-1.2 mmu 
C33.H52.N5.O4.F11.P2.		8.0	853.3319	+0.6 mmu 
C18.H48.N17.O5.F11.P2.		1.0	853.3324	+0.1 mmu 
C30.H53.N5.O5.F12.P2.		4.0	853.3330	-0.5 mmu 
C51.H50.N7.P3.		35.0	853.3341	-1.6 mmu 
C50.H54.N3.O4.P3.		30.0	853.3327	-0.2 mmu 
C35.H50.N15.O5.P3.		23.0	853.3332	-0.7 mmu 
C34.H54.N11.O9.P3.		18.0	853.3319	+0.6 mmu 
C19.H50.N23.O10.P3.		11.0	853.3324	+0.1 mmu 
C18.H54.N19.O14.P3.		6.0	853.3310	+1.5 mmu 
C37.H62.N1.O15.P3.		12.0	853.3332	-0.7 mmu 
C22.H58.N13.O16.P3.		5.0	853.3337	-1.2 mmu 
C21.H62.N9.O20.P3.		0.0	853.3324	+0.1 mmu 
C29.H43.N25.F1.P3.		25.0	853.3330	-0.5 mmu 
C43.H51.N9.O3.F1.P3.		27.0	853.3312	+1.3 mmu 
C28.H47.N21.O4.F1.P3.		20.0	853.3317	+0.8 mmu 
C47.H55.N3.O5.F1.P3.		26.0	853.3339	-1.4 mmu 
C31.H55.N11.O10.F1.P3.		14.0	853.3330	-0.5 mmu 
C30.H59.N7.O14.F1.P3.		9.0	853.3317	+0.8 mmu 
C41.H48.N13.F2.P3.		28.0	853.3337	-1.2 mmu 
C26.H44.N25.O1.F2.P3.		21.0	853.3342	-1.7 mmu 
C40.H52.N9.O4.F2.P3.		23.0	853.3323	+0.2 mmu 
C25.H48.N21.O5.F2.P3.		16.0	853.3328	-0.3 mmu 
C39.H56.N5.O8.F2.P3.		18.0	853.3310	+1.5 mmu 
C24.H52.N17.O9.F2.P3.		11.0	853.3315	+1.0 mmu 
C28.H56.N11.O11.F2.P3.		10.0	853.3342	-1.7 mmu 
C27.H60.N7.O15.F2.P3.		5.0	853.3328	-0.3 mmu 
C26.H64.N3.O19.F2.P3.		0.0	853.3315	+1.0 mmu 
C37.H53.N9.O5.F3.P3.		19.0	853.3335	-1.0 mmu 
C22.H49.N21.O6.F3.P3.		12.0	853.3340	-1.5 mmu 
C36.H57.N5.O9.F3.P3.		14.0	853.3321	+0.4 mmu 
C21.H53.N17.O10.F3.P3.		7.0	853.3326	-0.1 mmu 
C20.H57.N13.O14.F3.P3.		2.0	853.3313	+1.2 mmu 
C24.H61.N7.O16.F3.P3.		1.0	853.3340	-1.5 mmu 
C31.H46.N19.F4.P3.		21.0	853.3333	-0.8 mmu 
C45.H54.N3.O3.F4.P3.		23.0	853.3314	+1.1 mmu 
C30.H50.N15.O4.F4.P3.		16.0	853.3319	+0.6 mmu 
C33.H58.N5.O10.F4.P3.		10.0	853.3333	-0.8 mmu 
C18.H54.N17.O11.F4.P3.		3.0	853.3338	-1.3 mmu 
C32.H62.N1.O14.F4.P3.		5.0	853.3319	+0.6 mmu 
C43.H51.N7.F5.P3.		24.0	853.3339	-1.4 mmu 
C42.H55.N3.O4.F5.P3.		19.0	853.3326	-0.1 mmu 
C27.H51.N15.O5.F5.P3.		12.0	853.3331	-0.6 mmu 
C26.H55.N11.O9.F5.P3.		7.0	853.3317	+0.8 mmu 
C29.H63.N1.O15.F5.P3.		1.0	853.3331	-0.6 mmu 
C21.H44.N25.F6.P3.		14.0	853.3329	-0.4 mmu 
C35.H52.N9.O3.F6.P3.		16.0	853.3310	+1.5 mmu 
C20.H48.N21.O4.F6.P3.		9.0	853.3315	+1.0 mmu 
C39.H56.N3.O5.F6.P3.		15.0	853.3337	-1.2 mmu 
C24.H52.N15.O6.F6.P3.		8.0	853.3342	-1.7 mmu 
C23.H56.N11.O10.F6.P3.		3.0	853.3329	-0.4 mmu 
C33.H49.N13.F7.P3.		17.0	853.3335	-1.0 mmu 
C18.H45.N25.O1.F7.P3.		10.0	853.3340	-1.5 mmu 
C32.H53.N9.O4.F7.P3.		12.0	853.3322	+0.3 mmu 
C17.H49.N21.O5.F7.P3.		5.0	853.3327	-0.2 mmu 
C31.H57.N5.O8.F7.P3.		7.0	853.3308	+1.7 mmu 
C45.H54.N1.F8.P3.		20.0	853.3341	-1.6 mmu 
C29.H54.N9.O5.F8.P3.		8.0	853.3333	-0.8 mmu 
C28.H58.N5.O9.F8.P3.		3.0	853.3320	+0.5 mmu 
C23.H47.N19.F9.P3.		10.0	853.3331	-0.6 mmu 
C37.H55.N3.O3.F9.P3.		12.0	853.3313	+1.2 mmu 
C22.H51.N15.O4.F9.P3.		5.0	853.3318	+0.7 mmu 
C35.H52.N7.F10.P3.		13.0	853.3337	-1.2 mmu 
C34.H56.N3.O4.F10.P3.		8.0	853.3324	+0.1 mmu 
C19.H52.N15.O5.F10.P3.		1.0	853.3329	-0.4 mmu 
C27.H53.N9.O3.F11.P3.		5.0	853.3309	+1.6 mmu 
C31.H57.N3.O5.F11.P3.		4.0	853.3335	-1.0 mmu 
C25.H50.N13.F12.P3.		6.0	853.3333	-0.8 mmu 
C24.H54.N9.O4.F12.P3.		1.0	853.3320	+0.5 mmu 
C30.H47.N23.P4.		25.0	853.3335	-1.0 mmu 
C44.H55.N7.O3.P4.		27.0	853.3317	+0.8 mmu 
C29.H51.N19.O4.P4.		20.0	853.3322	+0.3 mmu 
C28.H55.N15.O8.P4.		15.0	853.3308	+1.7 mmu 
C32.H59.N9.O10.P4.		14.0	853.3335	-1.0 mmu 
C31.H63.N5.O14.P4.		9.0	853.3322	+0.3 mmu 
C30.H67.N1.O18.P4.		4.0	853.3309	+1.6 mmu 
C42.H52.N11.F1.P4.		28.0	853.3342	-1.7 mmu 
C41.H56.N7.O4.F1.P4.		23.0	853.3328	-0.3 mmu 
C26.H52.N19.O5.F1.P4.		16.0	853.3333	-0.8 mmu 
C40.H60.N3.O8.F1.P4.		18.0	853.3315	+1.0 mmu 
C25.H56.N15.O9.F1.P4.		11.0	853.3320	+0.5 mmu 
C28.H64.N5.O15.F1.P4.		5.0	853.3333	-0.8 mmu 
C27.H68.N1.O19.F1.P4.		0.0	853.3320	+0.5 mmu 
C34.H53.N13.O3.F2.P4.		20.0	853.3313	+1.2 mmu 
C19.H49.N25.O4.F2.P4.		13.0	853.3318	+0.7 mmu 
C38.H57.N7.O5.F2.P4.		19.0	853.3340	-1.5 mmu 
C37.H61.N3.O9.F2.P4.		14.0	853.3326	-0.1 mmu 
C22.H57.N15.O10.F2.P4.		7.0	853.3331	-0.6 mmu 
C21.H61.N11.O14.F2.P4.		2.0	853.3318	+0.7 mmu 
C32.H50.N17.F3.P4.		21.0	853.3338	-1.3 mmu 
C46.H58.N1.O3.F3.P4.		23.0	853.3319	+0.6 mmu 
C31.H54.N13.O4.F3.P4.		16.0	853.3324	+0.1 mmu 
C30.H58.N9.O8.F3.P4.		11.0	853.3311	+1.4 mmu 
C34.H62.N3.O10.F3.P4.		10.0	853.3338	-1.3 mmu 
C24.H51.N19.O3.F4.P4.		13.0	853.3309	+1.6 mmu 
C43.H59.N1.O4.F4.P4.		19.0	853.3331	-0.6 mmu 
C28.H55.N13.O5.F4.P4.		12.0	853.3336	-1.1 mmu 
C27.H59.N9.O9.F4.P4.		7.0	853.3322	+0.3 mmu 
C26.H63.N5.O13.F4.P4.		2.0	853.3309	+1.6 mmu 
C22.H48.N23.F5.P4.		14.0	853.3334	-0.9 mmu 
C36.H56.N7.O3.F5.P4.		16.0	853.3315	+1.0 mmu 
C21.H52.N19.O4.F5.P4.		9.0	853.3320	+0.5 mmu 
C24.H60.N9.O10.F5.P4.		3.0	853.3334	-0.9 mmu 
C34.H53.N11.F6.P4.		17.0	853.3340	-1.5 mmu 
C33.H57.N7.O4.F6.P4.		12.0	853.3327	-0.2 mmu 
C18.H53.N19.O5.F6.P4.		5.0	853.3332	-0.7 mmu 
C32.H61.N3.O8.F6.P4.		7.0	853.3313	+1.2 mmu 
C26.H54.N13.O3.F7.P4.		9.0	853.3311	+1.4 mmu 
C30.H58.N7.O5.F7.P4.		8.0	853.3338	-1.3 mmu 
C29.H62.N3.O9.F7.P4.		3.0	853.3325	+0.0 mmu 
C24.H51.N17.F8.P4.		10.0	853.3336	-1.1 mmu 
C38.H59.N1.O3.F8.P4.		12.0	853.3318	+0.7 mmu 
C23.H55.N13.O4.F8.P4.		5.0	853.3323	+0.2 mmu 
C22.H59.N9.O8.F8.P4.		0.0	853.3309	+1.6 mmu 
C35.H60.N1.O4.F9.P4.		8.0	853.3329	-0.4 mmu 
C20.H56.N13.O5.F9.P4.		1.0	853.3334	-0.9 mmu 
C28.H57.N7.O3.F10.P4.		5.0	853.3314	+1.1 mmu 
C32.H61.N1.O5.F10.P4.		4.0	853.3341	-1.6 mmu 
C26.H54.N11.F11.P4.		6.0	853.3338	-1.3 mmu 
C25.H58.N7.O4.F11.P4.		1.0	853.3325	-0.0 mmu 
C23.H52.N23.O3.P5.		17.0	853.3312	+1.3 mmu 
C42.H60.N5.O4.P5.		23.0	853.3333	-0.8 mmu 
C27.H56.N17.O5.P5.		16.0	853.3338	-1.3 mmu 
C41.H64.N1.O8.P5.		18.0	853.3320	+0.5 mmu 
C26.H60.N13.O9.P5.		11.0	853.3325	-0.0 mmu 
C25.H64.N9.O13.P5.		6.0	853.3312	+1.3 mmu 
C29.H68.N3.O15.P5.		5.0	853.3339	-1.4 mmu 
C35.H57.N11.O3.F1.P5.		20.0	853.3318	+0.7 mmu 
C20.H53.N23.O4.F1.P5.		13.0	853.3323	+0.2 mmu 
C19.H57.N19.O8.F1.P5.		8.0	853.3310	+1.5 mmu 
C38.H65.N1.O9.F1.P5.		14.0	853.3331	-0.6 mmu 
C23.H61.N13.O10.F1.P5.		7.0	853.3336	-1.1 mmu 
C22.H65.N9.O14.F1.P5.		2.0	853.3323	+0.2 mmu 
C32.H58.N11.O4.F2.P5.		16.0	853.3329	-0.4 mmu 
C31.H62.N7.O8.F2.P5.		11.0	853.3316	+0.9 mmu 
C40.H59.N5.O2.F3.P5.		20.0	853.3309	+1.6 mmu 
C25.H55.N17.O3.F3.P5.		13.0	853.3314	+1.1 mmu 
C29.H59.N11.O5.F3.P5.		12.0	853.3341	-1.6 mmu 
C28.H63.N7.O9.F3.P5.		7.0	853.3327	-0.2 mmu 
C27.H67.N3.O13.F3.P5.		2.0	853.3314	+1.1 mmu 
C23.H52.N21.F4.P5.		14.0	853.3339	-1.4 mmu 
C37.H60.N5.O3.F4.P5.		16.0	853.3320	+0.5 mmu 
C22.H56.N17.O4.F4.P5.		9.0	853.3325	-0.0 mmu 
C21.H60.N13.O8.F4.P5.		4.0	853.3312	+1.3 mmu 
C25.H64.N7.O10.F4.P5.		3.0	853.3339	-1.4 mmu 
C34.H61.N5.O4.F5.P5.		12.0	853.3332	-0.7 mmu 
C19.H57.N17.O5.F5.P5.		5.0	853.3337	-1.2 mmu 
C33.H65.N1.O8.F5.P5.		7.0	853.3318	+0.7 mmu 
C27.H58.N11.O3.F6.P5.		9.0	853.3316	+0.9 mmu 
C30.H66.N1.O9.F6.P5.		3.0	853.3330	-0.5 mmu 
C25.H55.N15.F7.P5.		10.0	853.3341	-1.6 mmu 
C24.H59.N11.O4.F7.P5.		5.0	853.3328	-0.3 mmu 
C23.H63.N7.O8.F7.P5.		0.0	853.3314	+1.1 mmu 
C21.H60.N11.O5.F8.P5.		1.0	853.3339	-1.4 mmu 
C29.H61.N5.O3.F9.P5.		5.0	853.3319	+0.6 mmu 
C26.H62.N5.O4.F10.P5.		1.0	853.3330	-0.5 mmu 
C22.H53.N25.P6.		18.0	853.3341	-1.6 mmu 
C36.H61.N9.O3.P6.		20.0	853.3323	+0.2 mmu 
C21.H57.N21.O4.P6.		13.0	853.3328	-0.3 mmu 
C35.H65.N5.O7.P6.		15.0	853.3310	+1.5 mmu 
C24.H65.N11.O10.P6.		7.0	853.3342	-1.7 mmu 
C23.H69.N7.O14.P6.		2.0	853.3328	-0.3 mmu 
C33.H62.N9.O4.F1.P6.		16.0	853.3334	-0.9 mmu 
C32.H66.N5.O8.F1.P6.		11.0	853.3321	+0.4 mmu 
C41.H63.N3.O2.F2.P6.		20.0	853.3314	+1.1 mmu 
C26.H59.N15.O3.F2.P6.		13.0	853.3319	+0.6 mmu 
C29.H67.N5.O9.F2.P6.		7.0	853.3333	-0.8 mmu 
C28.H71.N1.O13.F2.P6.		2.0	853.3319	+0.6 mmu 
C38.H64.N3.O3.F3.P6.		16.0	853.3325	-0.0 mmu 
C23.H60.N15.O4.F3.P6.		9.0	853.3330	-0.5 mmu 
C22.H64.N11.O8.F3.P6.		4.0	853.3317	+0.8 mmu 
C31.H61.N9.O2.F4.P6.		13.0	853.3310	+1.5 mmu 
C35.H65.N3.O4.F4.P6.		12.0	853.3337	-1.2 mmu 
C28.H62.N9.O3.F5.P6.		9.0	853.3321	+0.4 mmu 
C27.H66.N5.O7.F5.P6.		4.0	853.3308	+1.7 mmu 
C25.H63.N9.O4.F6.P6.		5.0	853.3333	-0.8 mmu 
C24.H67.N5.O8.F6.P6.		0.0	853.3320	+0.5 mmu 
C33.H64.N3.O2.F7.P6.		9.0	853.3312	+1.3 mmu 
C30.H65.N3.O3.F8.P6.		5.0	853.3324	+0.1 mmu 
C23.H62.N9.O2.F9.P6.		2.0	853.3308	+1.7 mmu 
C27.H66.N3.O4.F9.P6.		1.0	853.3335	-1.0 mmu 
C30.H62.N13.O2.P7.		17.0	853.3313	+1.2 mmu 
C34.H66.N7.O4.P7.		16.0	853.3340	-1.5 mmu 
C33.H70.N3.O8.P7.		11.0	853.3326	-0.1 mmu 
C42.H67.N1.O2.F1.P7.		20.0	853.3319	+0.6 mmu 
C27.H63.N13.O3.F1.P7.		13.0	853.3324	+0.1 mmu 
C26.H67.N9.O7.F1.P7.		8.0	853.3311	+1.4 mmu 
C30.H71.N3.O9.F1.P7.		7.0	853.3338	-1.3 mmu 
C39.H68.N1.O3.F2.P7.		16.0	853.3331	-0.6 mmu 
C24.H64.N13.O4.F2.P7.		9.0	853.3336	-1.1 mmu 
C23.H68.N9.O8.F2.P7.		4.0	853.3322	+0.3 mmu 
C32.H65.N7.O2.F3.P7.		13.0	853.3315	+1.0 mmu 
C36.H69.N1.O4.F3.P7.		12.0	853.3342	-1.7 mmu 
C29.H66.N7.O3.F4.P7.		9.0	853.3327	-0.2 mmu 
C28.H70.N3.O7.F4.P7.		4.0	853.3313	+1.2 mmu 
C22.H63.N13.O2.F5.P7.		6.0	853.3311	+1.4 mmu 
C26.H67.N7.O4.F5.P7.		5.0	853.3338	-1.3 mmu 
C25.H71.N3.O8.F5.P7.		0.0	853.3325	+0.0 mmu 
C34.H68.N1.O2.F6.P7.		9.0	853.3318	+0.7 mmu 
C31.H69.N1.O3.F7.P7.		5.0	853.3329	-0.4 mmu 
C24.H66.N7.O2.F8.P7.		2.0	853.3314	+1.1 mmu 
C28.H70.N1.O4.F8.P7.		1.0	853.3340	-1.5 mmu 
C28.H67.N11.O3.P8.		13.0	853.3329	-0.4 mmu 
C27.H71.N7.O7.P8.		8.0	853.3316	+0.9 mmu 
C36.H68.N5.O1.F1.P8.		17.0	853.3309	+1.6 mmu 
C25.H68.N11.O4.F1.P8.		9.0	853.3341	-1.6 mmu 
C33.H69.N5.O2.F2.P8.		13.0	853.3320	+0.5 mmu 
C30.H70.N5.O3.F3.P8.		9.0	853.3332	-0.7 mmu 
C29.H74.N1.O7.F3.P8.		4.0	853.3318	+0.7 mmu 
C26.H75.N1.O8.F4.P8.		0.0	853.3330	-0.5 mmu 
C25.H70.N5.O2.F7.P8.		2.0	853.3319	+0.6 mmu 
C37.H72.N3.O1.P9.		17.0	853.3314	+1.1 mmu 
C34.H73.N3.O2.F1.P9.		13.0	853.3325	-0.0 mmu 
C31.H74.N3.O3.F2.P9.		9.0	853.3337	-1.2 mmu 
C29.H73.N3.O1.F5.P9.		6.0	853.3312	+1.3 mmu 
C35.H77.N1.O2.P10.		13.0	853.3330	-0.5 mmu 
C32.H78.N1.O3.F1.P10.		9.0	853.3342	-1.7 mmu 
C53.H43.N9.O1.S1.		39.0	853.3311	+1.4 mmu 
C38.H39.N21.O2.S1.		32.0	853.3316	+0.9 mmu 
C57.H47.N3.O3.S1.		38.0	853.3338	-1.3 mmu 
C41.H47.N11.O8.S1.		26.0	853.3330	-0.5 mmu 
C26.H43.N23.O9.S1.		19.0	853.3335	-1.0 mmu 
C40.H51.N7.O12.S1.		21.0	853.3316	+0.9 mmu 
C25.H47.N19.O13.S1.		14.0	853.3321	+0.4 mmu 
C24.H51.N15.O17.S1.		9.0	853.3308	+1.7 mmu 
C28.H55.N9.O19.S1.		8.0	853.3335	-1.0 mmu 
C27.H59.N5.O23.S1.		3.0	853.3322	+0.3 mmu 
C50.H44.N9.O2.F1.S1.		35.0	853.3323	+0.2 mmu 
C35.H40.N21.O3.F1.S1.		28.0	853.3328	-0.3 mmu 
C49.H48.N5.O6.F1.S1.		30.0	853.3309	+1.6 mmu 
C34.H44.N17.O7.F1.S1.		23.0	853.3314	+1.1 mmu 
C38.H48.N11.O9.F1.S1.		22.0	853.3341	-1.6 mmu 
C37.H52.N7.O13.F1.S1.		17.0	853.3328	-0.3 mmu 
C22.H48.N19.O14.F1.S1.		10.0	853.3333	-0.8 mmu 
C36.H56.N3.O17.F1.S1.		12.0	853.3314	+1.1 mmu 
C21.H52.N15.O18.F1.S1.		5.0	853.3319	+0.6 mmu 
C47.H45.N9.O3.F2.S1.		31.0	853.3334	-0.9 mmu 
C32.H41.N21.O4.F2.S1.		24.0	853.3339	-1.4 mmu 
C46.H49.N5.O7.F2.S1.		26.0	853.3321	+0.4 mmu 
C31.H45.N17.O8.F2.S1.		19.0	853.3326	-0.1 mmu 
C30.H49.N13.O12.F2.S1.		14.0	853.3312	+1.3 mmu 
C15.H45.N25.O13.F2.S1.		7.0	853.3317	+0.8 mmu 
C34.H53.N7.O14.F2.S1.		13.0	853.3339	-1.4 mmu 
C33.H57.N3.O18.F2.S1.		8.0	853.3326	-0.1 mmu 
C18.H53.N15.O19.F2.S1.		1.0	853.3331	-0.6 mmu 
C55.H46.N3.O1.F3.S1.		35.0	853.3314	+1.1 mmu 
C40.H42.N15.O2.F3.S1.		28.0	853.3319	+0.6 mmu 
C24.H42.N23.O7.F3.S1.		16.0	853.3310	+1.5 mmu 
C43.H50.N5.O8.F3.S1.		22.0	853.3332	-0.7 mmu 
C28.H46.N17.O9.F3.S1.		15.0	853.3337	-1.2 mmu 
C42.H54.N1.O12.F3.S1.		17.0	853.3319	+0.6 mmu 
C27.H50.N13.O13.F3.S1.		10.0	853.3324	+0.1 mmu 
C26.H54.N9.O17.F3.S1.		5.0	853.3310	+1.5 mmu 
C30.H58.N3.O19.F3.S1.		4.0	853.3337	-1.2 mmu 
C52.H47.N3.O2.F4.S1.		31.0	853.3325	-0.0 mmu 
C37.H43.N15.O3.F4.S1.		24.0	853.3330	-0.5 mmu 
C36.H47.N11.O7.F4.S1.		19.0	853.3317	+0.8 mmu 
C21.H43.N23.O8.F4.S1.		12.0	853.3322	+0.3 mmu 
C20.H47.N19.O12.F4.S1.		7.0	853.3308	+1.7 mmu 
C39.H55.N1.O13.F4.S1.		13.0	853.3330	-0.5 mmu 
C24.H51.N13.O14.F4.S1.		6.0	853.3335	-1.0 mmu 
C23.H55.N9.O18.F4.S1.		1.0	853.3322	+0.3 mmu 
C45.H44.N9.O1.F5.S1.		28.0	853.3310	+1.5 mmu 
C30.H40.N21.O2.F5.S1.		21.0	853.3315	+1.0 mmu 
C49.H48.N3.O3.F5.S1.		27.0	853.3337	-1.2 mmu 
C34.H44.N15.O4.F5.S1.		20.0	853.3342	-1.7 mmu 
C33.H48.N11.O8.F5.S1.		15.0	853.3328	-0.3 mmu 
C18.H44.N23.O9.F5.S1.		8.0	853.3333	-0.8 mmu 
C32.H52.N7.O12.F5.S1.		10.0	853.3315	+1.0 mmu 
C17.H48.N19.O13.F5.S1.		3.0	853.3320	+0.5 mmu 
C36.H56.N1.O14.F5.S1.		9.0	853.3342	-1.7 mmu 
C42.H45.N9.O2.F6.S1.		24.0	853.3321	+0.4 mmu 
C27.H41.N21.O3.F6.S1.		17.0	853.3326	-0.1 mmu 
C26.H45.N17.O7.F6.S1.		12.0	853.3313	+1.2 mmu 
C30.H49.N11.O9.F6.S1.		11.0	853.3340	-1.5 mmu 
C29.H53.N7.O13.F6.S1.		6.0	853.3326	-0.1 mmu 
C28.H57.N3.O17.F6.S1.		1.0	853.3313	+1.2 mmu 
C39.H46.N9.O3.F7.S1.		20.0	853.3333	-0.8 mmu 
C24.H42.N21.O4.F7.S1.		13.0	853.3338	-1.3 mmu 
C38.H50.N5.O7.F7.S1.		15.0	853.3319	+0.6 mmu 
C23.H46.N17.O8.F7.S1.		8.0	853.3324	+0.1 mmu 
C22.H50.N13.O12.F7.S1.		3.0	853.3311	+1.4 mmu 
C26.H54.N7.O14.F7.S1.		2.0	853.3338	-1.3 mmu 
C47.H47.N3.O1.F8.S1.		24.0	853.3312	+1.3 mmu 
C32.H43.N15.O2.F8.S1.		17.0	853.3317	+0.8 mmu 
C16.H43.N23.O7.F8.S1.		5.0	853.3309	+1.6 mmu 
C35.H51.N5.O8.F8.S1.		11.0	853.3331	-0.6 mmu 
C20.H47.N17.O9.F8.S1.		4.0	853.3336	-1.1 mmu 
C34.H55.N1.O12.F8.S1.		6.0	853.3317	+0.8 mmu 
C44.H48.N3.O2.F9.S1.		20.0	853.3324	+0.1 mmu 
C29.H44.N15.O3.F9.S1.		13.0	853.3329	-0.4 mmu 
C28.H48.N11.O7.F9.S1.		8.0	853.3315	+1.0 mmu 
C32.H52.N5.O9.F9.S1.		7.0	853.3342	-1.7 mmu 
C31.H56.N1.O13.F9.S1.		2.0	853.3329	-0.4 mmu 
C37.H45.N9.O1.F10.S1.		17.0	853.3308	+1.7 mmu 
C22.H41.N21.O2.F10.S1.		10.0	853.3313	+1.2 mmu 
C41.H49.N3.O3.F10.S1.		16.0	853.3335	-1.0 mmu 
C26.H45.N15.O4.F10.S1.		9.0	853.3340	-1.5 mmu 
C25.H49.N11.O8.F10.S1.		4.0	853.3327	-0.2 mmu 
C34.H46.N9.O2.F11.S1.		13.0	853.3320	+0.5 mmu 
C19.H42.N21.O3.F11.S1.		6.0	853.3325	+0.0 mmu 
C18.H46.N17.O7.F11.S1.		1.0	853.3311	+1.4 mmu 
C22.H50.N11.O9.F11.S1.		0.0	853.3338	-1.3 mmu 
C31.H47.N9.O3.F12.S1.		9.0	853.3331	-0.6 mmu 
C16.H43.N21.O4.F12.S1.		2.0	853.3336	-1.1 mmu 
C30.H51.N5.O7.F12.S1.		4.0	853.3318	+0.7 mmu 
C51.H48.N7.O2.P1.S1.		35.0	853.3328	-0.3 mmu 
C36.H44.N19.O3.P1.S1.		28.0	853.3333	-0.8 mmu 
C50.H52.N3.O6.P1.S1.		30.0	853.3314	+1.1 mmu 
C35.H48.N15.O7.P1.S1.		23.0	853.3319	+0.6 mmu 
C19.H48.N23.O12.P1.S1.		11.0	853.3311	+1.4 mmu 
C38.H56.N5.O13.P1.S1.		17.0	853.3333	-0.8 mmu 
C23.H52.N17.O14.P1.S1.		10.0	853.3338	-1.3 mmu 
C37.H60.N1.O17.P1.S1.		12.0	853.3320	+0.5 mmu 
C22.H56.N13.O18.P1.S1.		5.0	853.3325	+0.0 mmu 
C21.H60.N9.O22.P1.S1.		0.0	853.3311	+1.4 mmu 
C44.H45.N13.O1.F1.P1.S1.		32.0	853.3312	+1.3 mmu 
C29.H41.N25.O2.F1.P1.S1.		25.0	853.3317	+0.8 mmu 
C48.H49.N7.O3.F1.P1.S1.		31.0	853.3339	-1.4 mmu 
C47.H53.N3.O7.F1.P1.S1.		26.0	853.3326	-0.1 mmu 
C32.H49.N15.O8.F1.P1.S1.		19.0	853.3331	-0.6 mmu 
C31.H53.N11.O12.F1.P1.S1.		14.0	853.3318	+0.7 mmu 
C34.H61.N1.O18.F1.P1.S1.		8.0	853.3331	-0.6 mmu 
C19.H57.N13.O19.F1.P1.S1.		1.0	853.3336	-1.1 mmu 
C56.H50.N1.O1.F2.P1.S1.		35.0	853.3319	+0.6 mmu 
C41.H46.N13.O2.F2.P1.S1.		28.0	853.3324	+0.1 mmu 
C26.H42.N25.O3.F2.P1.S1.		21.0	853.3329	-0.4 mmu 
C40.H50.N9.O6.F2.P1.S1.		23.0	853.3310	+1.5 mmu 
C25.H46.N21.O7.F2.P1.S1.		16.0	853.3315	+1.0 mmu 
C44.H54.N3.O8.F2.P1.S1.		22.0	853.3337	-1.2 mmu 
C28.H54.N11.O13.F2.P1.S1.		10.0	853.3329	-0.4 mmu 
C27.H58.N7.O17.F2.P1.S1.		5.0	853.3316	+0.9 mmu 
C34.H43.N19.O1.F3.P1.S1.		25.0	853.3308	+1.7 mmu 
C53.H51.N1.O2.F3.P1.S1.		31.0	853.3330	-0.5 mmu 
C38.H47.N13.O3.F3.P1.S1.		24.0	853.3335	-1.0 mmu 
C23.H43.N25.O4.F3.P1.S1.		17.0	853.3340	-1.5 mmu 
C37.H51.N9.O7.F3.P1.S1.		19.0	853.3322	+0.3 mmu 
C22.H47.N21.O8.F3.P1.S1.		12.0	853.3327	-0.2 mmu 
C36.H55.N5.O11.F3.P1.S1.		14.0	853.3308	+1.7 mmu 
C21.H51.N17.O12.F3.P1.S1.		7.0	853.3314	+1.1 mmu 
C25.H55.N11.O14.F3.P1.S1.		6.0	853.3340	-1.5 mmu 
C24.H59.N7.O18.F3.P1.S1.		1.0	853.3327	-0.2 mmu 
C46.H48.N7.O1.F4.P1.S1.		28.0	853.3315	+1.0 mmu 
C31.H44.N19.O2.F4.P1.S1.		21.0	853.3320	+0.5 mmu 
C50.H52.N1.O3.F4.P1.S1.		27.0	853.3342	-1.7 mmu 
C34.H52.N9.O8.F4.P1.S1.		15.0	853.3333	-0.8 mmu 
C19.H48.N21.O9.F4.P1.S1.		8.0	853.3338	-1.3 mmu 
C33.H56.N5.O12.F4.P1.S1.		10.0	853.3320	+0.5 mmu 
C18.H52.N17.O13.F4.P1.S1.		3.0	853.3325	+0.0 mmu 
C43.H49.N7.O2.F5.P1.S1.		24.0	853.3326	-0.1 mmu 
C28.H45.N19.O3.F5.P1.S1.		17.0	853.3331	-0.6 mmu 
C42.H53.N3.O6.F5.P1.S1.		19.0	853.3313	+1.2 mmu 
C27.H49.N15.O7.F5.P1.S1.		12.0	853.3318	+0.7 mmu 
C30.H57.N5.O13.F5.P1.S1.		6.0	853.3331	-0.6 mmu 
C29.H61.N1.O17.F5.P1.S1.		1.0	853.3318	+0.7 mmu 
C36.H46.N13.O1.F6.P1.S1.		21.0	853.3311	+1.4 mmu 
C21.H42.N25.O2.F6.P1.S1.		14.0	853.3316	+0.9 mmu 
C40.H50.N7.O3.F6.P1.S1.		20.0	853.3338	-1.3 mmu 
C39.H54.N3.O7.F6.P1.S1.		15.0	853.3324	+0.1 mmu 
C24.H50.N15.O8.F6.P1.S1.		8.0	853.3329	-0.4 mmu 
C23.H54.N11.O12.F6.P1.S1.		3.0	853.3316	+0.9 mmu 
C48.H51.N1.O1.F7.P1.S1.		24.0	853.3317	+0.8 mmu 
C33.H47.N13.O2.F7.P1.S1.		17.0	853.3322	+0.3 mmu 
C18.H43.N25.O3.F7.P1.S1.		10.0	853.3327	-0.2 mmu 
C32.H51.N9.O6.F7.P1.S1.		12.0	853.3309	+1.6 mmu 
C17.H47.N21.O7.F7.P1.S1.		5.0	853.3314	+1.1 mmu 
C36.H55.N3.O8.F7.P1.S1.		11.0	853.3336	-1.1 mmu 
C21.H51.N15.O9.F7.P1.S1.		4.0	853.3341	-1.6 mmu 
C45.H52.N1.O2.F8.P1.S1.		20.0	853.3329	-0.4 mmu 
C30.H48.N13.O3.F8.P1.S1.		13.0	853.3334	-0.9 mmu 
C15.H44.N25.O4.F8.P1.S1.		6.0	853.3339	-1.4 mmu 
C29.H52.N9.O7.F8.P1.S1.		8.0	853.3320	+0.5 mmu 
C38.H49.N7.O1.F9.P1.S1.		17.0	853.3313	+1.2 mmu 
C23.H45.N19.O2.F9.P1.S1.		10.0	853.3318	+0.7 mmu 
C42.H53.N1.O3.F9.P1.S1.		16.0	853.3340	-1.5 mmu 
C26.H53.N9.O8.F9.P1.S1.		4.0	853.3332	-0.7 mmu 
C35.H50.N7.O2.F10.P1.S1.		13.0	853.3325	+0.0 mmu 
C20.H46.N19.O3.F10.P1.S1.		6.0	853.3330	-0.5 mmu 
C34.H54.N3.O6.F10.P1.S1.		8.0	853.3311	+1.4 mmu 
C19.H50.N15.O7.F10.P1.S1.		1.0	853.3316	+0.9 mmu 
C28.H47.N13.O1.F11.P1.S1.		10.0	853.3309	+1.6 mmu 
C32.H51.N7.O3.F11.P1.S1.		9.0	853.3336	-1.1 mmu 
C17.H47.N19.O4.F11.P1.S1.		2.0	853.3341	-1.6 mmu 
C31.H55.N3.O7.F11.P1.S1.		4.0	853.3323	+0.2 mmu 
C40.H52.N1.O1.F12.P1.S1.		13.0	853.3316	+0.9 mmu 
C25.H48.N13.O2.F12.P1.S1.		6.0	853.3321	+0.4 mmu 
C28.H56.N3.O8.F12.P1.S1.		0.0	853.3334	-0.9 mmu 
C45.H49.N11.O1.P2.S1.		32.0	853.3317	+0.8 mmu 
C30.H45.N23.O2.P2.S1.		25.0	853.3323	+0.2 mmu 
C29.H49.N19.O6.P2.S1.		20.0	853.3309	+1.6 mmu 
C48.H57.N1.O7.P2.S1.		26.0	853.3331	-0.6 mmu 
C33.H53.N13.O8.P2.S1.		19.0	853.3336	-1.1 mmu 
C18.H49.N25.O9.P2.S1.		12.0	853.3341	-1.6 mmu 
C32.H57.N9.O12.P2.S1.		14.0	853.3323	+0.2 mmu 
C31.H61.N5.O16.P2.S1.		9.0	853.3309	+1.6 mmu 
C42.H50.N11.O2.F1.P2.S1.		28.0	853.3329	-0.4 mmu 
C27.H46.N23.O3.F1.P2.S1.		21.0	853.3334	-0.9 mmu 
C41.H54.N7.O6.F1.P2.S1.		23.0	853.3316	+0.9 mmu 
C26.H50.N19.O7.F1.P2.S1.		16.0	853.3321	+0.4 mmu 
C29.H58.N9.O13.F1.P2.S1.		10.0	853.3334	-0.9 mmu 
C28.H62.N5.O17.F1.P2.S1.		5.0	853.3321	+0.4 mmu 
C50.H51.N5.F2.P2.S1.		32.0	853.3308	+1.7 mmu 
C35.H47.N17.O1.F2.P2.S1.		25.0	853.3313	+1.2 mmu 
C39.H51.N11.O3.F2.P2.S1.		24.0	853.3340	-1.5 mmu 
C38.H55.N7.O7.F2.P2.S1.		19.0	853.3327	-0.2 mmu 
C23.H51.N19.O8.F2.P2.S1.		12.0	853.3332	-0.7 mmu 
C37.H59.N3.O11.F2.P2.S1.		14.0	853.3314	+1.1 mmu 
C22.H55.N15.O12.F2.P2.S1.		7.0	853.3319	+0.6 mmu 
C25.H63.N5.O18.F2.P2.S1.		1.0	853.3332	-0.7 mmu 
C47.H52.N5.O1.F3.P2.S1.		28.0	853.3320	+0.5 mmu 
C32.H48.N17.O2.F3.P2.S1.		21.0	853.3325	+0.0 mmu 
C31.H52.N13.O6.F3.P2.S1.		16.0	853.3312	+1.3 mmu 
C16.H48.N25.O7.F3.P2.S1.		9.0	853.3317	+0.8 mmu 
C35.H56.N7.O8.F3.P2.S1.		15.0	853.3338	-1.3 mmu 
C34.H60.N3.O12.F3.P2.S1.		10.0	853.3325	-0.0 mmu 
C19.H56.N15.O13.F3.P2.S1.		3.0	853.3330	-0.5 mmu 
C25.H45.N23.O1.F4.P2.S1.		18.0	853.3309	+1.6 mmu 
C44.H53.N5.O2.F4.P2.S1.		24.0	853.3331	-0.6 mmu 
C29.H49.N17.O3.F4.P2.S1.		17.0	853.3336	-1.1 mmu 
C43.H57.N1.O6.F4.P2.S1.		19.0	853.3318	+0.7 mmu 
C28.H53.N13.O7.F4.P2.S1.		12.0	853.3323	+0.2 mmu 
C27.H57.N9.O11.F4.P2.S1.		7.0	853.3310	+1.5 mmu 
C31.H61.N3.O13.F4.P2.S1.		6.0	853.3336	-1.1 mmu 
C37.H50.N11.O1.F5.P2.S1.		21.0	853.3316	+0.9 mmu 
C22.H46.N23.O2.F5.P2.S1.		14.0	853.3321	+0.4 mmu 
C40.H58.N1.O7.F5.P2.S1.		15.0	853.3329	-0.4 mmu 
C25.H54.N13.O8.F5.P2.S1.		8.0	853.3334	-0.9 mmu 
C24.H58.N9.O12.F5.P2.S1.		3.0	853.3321	+0.4 mmu 
C34.H51.N11.O2.F6.P2.S1.		17.0	853.3327	-0.2 mmu 
C19.H47.N23.O3.F6.P2.S1.		10.0	853.3332	-0.7 mmu 
C33.H55.N7.O6.F6.P2.S1.		12.0	853.3314	+1.1 mmu 
C18.H51.N19.O7.F6.P2.S1.		5.0	853.3319	+0.6 mmu 
C37.H59.N1.O8.F6.P2.S1.		11.0	853.3341	-1.6 mmu 
C27.H48.N17.O1.F7.P2.S1.		14.0	853.3312	+1.3 mmu 
C31.H52.N11.O3.F7.P2.S1.		13.0	853.3339	-1.4 mmu 
C30.H56.N7.O7.F7.P2.S1.		8.0	853.3325	-0.0 mmu 
C29.H60.N3.O11.F7.P2.S1.		3.0	853.3312	+1.3 mmu 
C39.H53.N5.O1.F8.P2.S1.		17.0	853.3318	+0.7 mmu 
C24.H49.N17.O2.F8.P2.S1.		10.0	853.3323	+0.2 mmu 
C23.H53.N13.O6.F8.P2.S1.		5.0	853.3310	+1.5 mmu 
C27.H57.N7.O8.F8.P2.S1.		4.0	853.3337	-1.2 mmu 
C36.H54.N5.O2.F9.P2.S1.		13.0	853.3330	-0.5 mmu 
C21.H50.N17.O3.F9.P2.S1.		6.0	853.3335	-1.0 mmu 
C35.H58.N1.O6.F9.P2.S1.		8.0	853.3316	+0.9 mmu 
C20.H54.N13.O7.F9.P2.S1.		1.0	853.3321	+0.4 mmu 
C29.H51.N11.O1.F10.P2.S1.		10.0	853.3314	+1.1 mmu 
C33.H55.N5.O3.F10.P2.S1.		9.0	853.3341	-1.6 mmu 
C32.H59.N1.O7.F10.P2.S1.		4.0	853.3328	-0.3 mmu 
C26.H52.N11.O2.F11.P2.S1.		6.0	853.3326	-0.1 mmu 
C25.H56.N7.O6.F11.P2.S1.		1.0	853.3312	+1.3 mmu 
C29.H60.N1.O8.F11.P2.S1.		0.0	853.3339	-1.4 mmu 
C19.H49.N17.O1.F12.P2.S1.		3.0	853.3310	+1.5 mmu 
C23.H53.N11.O3.F12.P2.S1.		2.0	853.3337	-1.2 mmu 
C43.H54.N9.O2.P3.S1.		28.0	853.3334	-0.9 mmu 
C28.H50.N21.O3.P3.S1.		21.0	853.3339	-1.4 mmu 
C42.H58.N5.O6.P3.S1.		23.0	853.3321	+0.4 mmu 
C27.H54.N17.O7.P3.S1.		16.0	853.3326	-0.1 mmu 
C26.H58.N13.O11.P3.S1.		11.0	853.3312	+1.3 mmu 
C30.H62.N7.O13.P3.S1.		10.0	853.3339	-1.4 mmu 
C29.H66.N3.O17.P3.S1.		5.0	853.3326	-0.1 mmu 
C51.H55.N3.F1.P3.S1.		32.0	853.3314	+1.1 mmu 
C36.H51.N15.O1.F1.P3.S1.		25.0	853.3319	+0.6 mmu 
C20.H51.N23.O6.F1.P3.S1.		13.0	853.3310	+1.5 mmu 
C39.H59.N5.O7.F1.P3.S1.		19.0	853.3332	-0.7 mmu 
C24.H55.N17.O8.F1.P3.S1.		12.0	853.3337	-1.2 mmu 
C38.H63.N1.O11.F1.P3.S1.		14.0	853.3319	+0.6 mmu 
C23.H59.N13.O12.F1.P3.S1.		7.0	853.3324	+0.1 mmu 
C22.H63.N9.O16.F1.P3.S1.		2.0	853.3310	+1.5 mmu 
C26.H67.N3.O18.F1.P3.S1.		1.0	853.3337	-1.2 mmu 
C48.H56.N3.O1.F2.P3.S1.		28.0	853.3325	-0.0 mmu 
C33.H52.N15.O2.F2.P3.S1.		21.0	853.3330	-0.5 mmu 
C32.H56.N11.O6.F2.P3.S1.		16.0	853.3317	+0.8 mmu 
C35.H64.N1.O12.F2.P3.S1.		10.0	853.3330	-0.5 mmu 
C20.H60.N13.O13.F2.P3.S1.		3.0	853.3335	-1.0 mmu 
C41.H53.N9.F3.P3.S1.		25.0	853.3310	+1.5 mmu 
C26.H49.N21.O1.F3.P3.S1.		18.0	853.3315	+1.0 mmu 
C45.H57.N3.O2.F3.P3.S1.		24.0	853.3336	-1.1 mmu 
C30.H53.N15.O3.F3.P3.S1.		17.0	853.3341	-1.6 mmu 
C29.H57.N11.O7.F3.P3.S1.		12.0	853.3328	-0.3 mmu 
C28.H61.N7.O11.F3.P3.S1.		7.0	853.3315	+1.0 mmu 
C32.H65.N1.O13.F3.P3.S1.		6.0	853.3342	-1.7 mmu 
C38.H54.N9.O1.F4.P3.S1.		21.0	853.3321	+0.4 mmu 
C23.H50.N21.O2.F4.P3.S1.		14.0	853.3326	-0.1 mmu 
C22.H54.N17.O6.F4.P3.S1.		9.0	853.3313	+1.2 mmu 
C26.H58.N11.O8.F4.P3.S1.		8.0	853.3340	-1.5 mmu 
C25.H62.N7.O12.F4.P3.S1.		3.0	853.3326	-0.1 mmu 
C35.H55.N9.O2.F5.P3.S1.		17.0	853.3332	-0.7 mmu 
C20.H51.N21.O3.F5.P3.S1.		10.0	853.3337	-1.2 mmu 
C34.H59.N5.O6.F5.P3.S1.		12.0	853.3319	+0.6 mmu 
C19.H55.N17.O7.F5.P3.S1.		5.0	853.3324	+0.1 mmu 
C43.H56.N3.F6.P3.S1.		21.0	853.3312	+1.3 mmu 
C28.H52.N15.O1.F6.P3.S1.		14.0	853.3317	+0.8 mmu 
C31.H60.N5.O7.F6.P3.S1.		8.0	853.3330	-0.5 mmu 
C30.H64.N1.O11.F6.P3.S1.		3.0	853.3317	+0.8 mmu 
C40.H57.N3.O1.F7.P3.S1.		17.0	853.3323	+0.2 mmu 
C25.H53.N15.O2.F7.P3.S1.		10.0	853.3328	-0.3 mmu 
C24.H57.N11.O6.F7.P3.S1.		5.0	853.3315	+1.0 mmu 
C28.H61.N5.O8.F7.P3.S1.		4.0	853.3342	-1.7 mmu 
C33.H54.N9.F8.P3.S1.		14.0	853.3308	+1.7 mmu 
C18.H50.N21.O1.F8.P3.S1.		7.0	853.3313	+1.2 mmu 
C37.H58.N3.O2.F8.P3.S1.		13.0	853.3335	-1.0 mmu 
C22.H54.N15.O3.F8.P3.S1.		6.0	853.3340	-1.5 mmu 
C21.H58.N11.O7.F8.P3.S1.		1.0	853.3326	-0.1 mmu 
C30.H55.N9.O1.F9.P3.S1.		10.0	853.3319	+0.6 mmu 
C27.H56.N9.O2.F10.P3.S1.		6.0	853.3331	-0.6 mmu 
C26.H60.N5.O6.F10.P3.S1.		1.0	853.3317	+0.8 mmu 
C35.H57.N3.F11.P3.S1.		10.0	853.3310	+1.5 mmu 
C20.H53.N15.O1.F11.P3.S1.		3.0	853.3315	+1.0 mmu 
C32.H58.N3.O1.F12.P3.S1.		6.0	853.3322	+0.3 mmu 
C52.H59.N1.P4.S1.		32.0	853.3319	+0.6 mmu 
C37.H55.N13.O1.P4.S1.		25.0	853.3324	+0.1 mmu 
C22.H51.N25.O2.P4.S1.		18.0	853.3329	-0.4 mmu 
C36.H59.N9.O5.P4.S1.		20.0	853.3310	+1.5 mmu 
C21.H55.N21.O6.P4.S1.		13.0	853.3315	+1.0 mmu 
C40.H63.N3.O7.P4.S1.		19.0	853.3337	-1.2 mmu 
C24.H63.N11.O12.P4.S1.		7.0	853.3329	-0.4 mmu 
C23.H67.N7.O16.P4.S1.		2.0	853.3315	+1.0 mmu 
C30.H52.N19.F1.P4.S1.		22.0	853.3308	+1.7 mmu 
C49.H60.N1.O1.F1.P4.S1.		28.0	853.3330	-0.5 mmu 
C34.H56.N13.O2.F1.P4.S1.		21.0	853.3335	-1.0 mmu 
C19.H52.N25.O3.F1.P4.S1.		14.0	853.3340	-1.5 mmu 
C33.H60.N9.O6.F1.P4.S1.		16.0	853.3322	+0.3 mmu 
C32.H64.N5.O10.F1.P4.S1.		11.0	853.3308	+1.7 mmu 
C42.H57.N7.F2.P4.S1.		25.0	853.3315	+1.0 mmu 
C27.H53.N19.O1.F2.P4.S1.		18.0	853.3320	+0.5 mmu 
C46.H61.N1.O2.F2.P4.S1.		24.0	853.3342	-1.7 mmu 
C30.H61.N9.O7.F2.P4.S1.		12.0	853.3333	-0.8 mmu 
C29.H65.N5.O11.F2.P4.S1.		7.0	853.3320	+0.5 mmu 
C39.H58.N7.O1.F3.P4.S1.		21.0	853.3326	-0.1 mmu 
C24.H54.N19.O2.F3.P4.S1.		14.0	853.3331	-0.6 mmu 
C38.H62.N3.O5.F3.P4.S1.		16.0	853.3313	+1.2 mmu 
C23.H58.N15.O6.F3.P4.S1.		9.0	853.3318	+0.7 mmu 
C26.H66.N5.O12.F3.P4.S1.		3.0	853.3331	-0.6 mmu 
C32.H55.N13.F4.P4.S1.		18.0	853.3311	+1.4 mmu 
C17.H51.N25.O1.F4.P4.S1.		11.0	853.3316	+0.9 mmu 
C36.H59.N7.O2.F4.P4.S1.		17.0	853.3338	-1.3 mmu 
C35.H63.N3.O6.F4.P4.S1.		12.0	853.3324	+0.1 mmu 
C20.H59.N15.O7.F4.P4.S1.		5.0	853.3329	-0.4 mmu 
C44.H60.N1.F5.P4.S1.		21.0	853.3317	+0.8 mmu 
C29.H56.N13.O1.F5.P4.S1.		14.0	853.3322	+0.3 mmu 
C28.H60.N9.O5.F5.P4.S1.		9.0	853.3309	+1.6 mmu 
C32.H64.N3.O7.F5.P4.S1.		8.0	853.3336	-1.1 mmu 
C41.H61.N1.O1.F6.P4.S1.		17.0	853.3329	-0.4 mmu 
C26.H57.N13.O2.F6.P4.S1.		10.0	853.3334	-0.9 mmu 
C25.H61.N9.O6.F6.P4.S1.		5.0	853.3320	+0.5 mmu 
C34.H58.N7.F7.P4.S1.		14.0	853.3313	+1.2 mmu 
C19.H54.N19.O1.F7.P4.S1.		7.0	853.3318	+0.7 mmu 
C38.H62.N1.O2.F7.P4.S1.		13.0	853.3340	-1.5 mmu 
C22.H62.N9.O7.F7.P4.S1.		1.0	853.3332	-0.7 mmu 
C31.H59.N7.O1.F8.P4.S1.		10.0	853.3325	+0.0 mmu 
C30.H63.N3.O5.F8.P4.S1.		5.0	853.3311	+1.4 mmu 
C24.H56.N13.F9.P4.S1.		7.0	853.3309	+1.6 mmu 
C28.H60.N7.O2.F9.P4.S1.		6.0	853.3336	-1.1 mmu 
C27.H64.N3.O6.F9.P4.S1.		1.0	853.3323	+0.2 mmu 
C36.H61.N1.F10.P4.S1.		10.0	853.3315	+1.0 mmu 
C21.H57.N13.O1.F10.P4.S1.		3.0	853.3321	+0.4 mmu 
C33.H62.N1.O1.F11.P4.S1.		6.0	853.3327	-0.2 mmu 
C26.H59.N7.F12.P4.S1.		3.0	853.3312	+1.3 mmu 
C30.H63.N1.O2.F12.P4.S1.		2.0	853.3338	-1.3 mmu 
C31.H56.N17.P5.S1.		22.0	853.3313	+1.2 mmu 
C35.H60.N11.O2.P5.S1.		21.0	853.3340	-1.5 mmu 
C34.H64.N7.O6.P5.S1.		16.0	853.3327	-0.2 mmu 
C33.H68.N3.O10.P5.S1.		11.0	853.3313	+1.2 mmu 
C43.H61.N5.F1.P5.S1.		25.0	853.3320	+0.5 mmu 
C28.H57.N17.O1.F1.P5.S1.		18.0	853.3325	+0.0 mmu 
C27.H61.N13.O5.F1.P5.S1.		13.0	853.3311	+1.4 mmu 
C31.H65.N7.O7.F1.P5.S1.		12.0	853.3338	-1.3 mmu 
C30.H69.N3.O11.F1.P5.S1.		7.0	853.3325	+0.0 mmu 
C21.H54.N23.F2.P5.S1.		15.0	853.3309	+1.6 mmu 
C40.H62.N5.O1.F2.P5.S1.		21.0	853.3331	-0.6 mmu 
C25.H58.N17.O2.F2.P5.S1.		14.0	853.3336	-1.1 mmu 
C39.H66.N1.O5.F2.P5.S1.		16.0	853.3318	+0.7 mmu 
C24.H62.N13.O6.F2.P5.S1.		9.0	853.3323	+0.2 mmu 
C23.H66.N9.O10.F2.P5.S1.		4.0	853.3309	+1.6 mmu 
C27.H70.N3.O12.F2.P5.S1.		3.0	853.3336	-1.1 mmu 
C33.H59.N11.F3.P5.S1.		18.0	853.3316	+0.9 mmu 
C36.H67.N1.O6.F3.P5.S1.		12.0	853.3329	-0.4 mmu 
C21.H63.N13.O7.F3.P5.S1.		5.0	853.3334	-0.9 mmu 
C30.H60.N11.O1.F4.P5.S1.		14.0	853.3327	-0.2 mmu 
C29.H64.N7.O5.F4.P5.S1.		9.0	853.3314	+1.1 mmu 
C33.H68.N1.O7.F4.P5.S1.		8.0	853.3341	-1.6 mmu 
C23.H57.N17.F5.P5.S1.		11.0	853.3312	+1.3 mmu 
C27.H61.N11.O2.F5.P5.S1.		10.0	853.3339	-1.4 mmu 
C26.H65.N7.O6.F5.P5.S1.		5.0	853.3325	-0.0 mmu 
C25.H69.N3.O10.F5.P5.S1.		0.0	853.3312	+1.3 mmu 
C35.H62.N5.F6.P5.S1.		14.0	853.3318	+0.7 mmu 
C20.H58.N17.O1.F6.P5.S1.		7.0	853.3323	+0.2 mmu 
C23.H66.N7.O7.F6.P5.S1.		1.0	853.3337	-1.2 mmu 
C32.H63.N5.O1.F7.P5.S1.		10.0	853.3330	-0.5 mmu 
C31.H67.N1.O5.F7.P5.S1.		5.0	853.3316	+0.9 mmu 
C25.H60.N11.F8.P5.S1.		7.0	853.3314	+1.1 mmu 
C29.H64.N5.O2.F8.P5.S1.		6.0	853.3341	-1.6 mmu 
C28.H68.N1.O6.F8.P5.S1.		1.0	853.3328	-0.3 mmu 
C22.H61.N11.O1.F9.P5.S1.		3.0	853.3326	-0.1 mmu 
C27.H63.N5.F11.P5.S1.		3.0	853.3317	+0.8 mmu 
C44.H65.N3.P6.S1.		25.0	853.3325	+0.0 mmu 
C29.H61.N15.O1.P6.S1.		18.0	853.3330	-0.5 mmu 
C28.H65.N11.O5.P6.S1.		13.0	853.3317	+0.8 mmu 
C31.H73.N1.O11.P6.S1.		7.0	853.3330	-0.5 mmu 
C22.H58.N21.F1.P6.S1.		15.0	853.3314	+1.1 mmu 
C41.H66.N3.O1.F1.P6.S1.		21.0	853.3336	-1.1 mmu 
C26.H62.N15.O2.F1.P6.S1.		14.0	853.3341	-1.6 mmu 
C25.H66.N11.O6.F1.P6.S1.		9.0	853.3328	-0.3 mmu 
C24.H70.N7.O10.F1.P6.S1.		4.0	853.3315	+1.0 mmu 
C28.H74.N1.O12.F1.P6.S1.		3.0	853.3341	-1.6 mmu 
C34.H63.N9.F2.P6.S1.		18.0	853.3321	+0.4 mmu 
C31.H64.N9.O1.F3.P6.S1.		14.0	853.3332	-0.7 mmu 
C30.H68.N5.O5.F3.P6.S1.		9.0	853.3319	+0.6 mmu 
C24.H61.N15.F4.P6.S1.		11.0	853.3317	+0.8 mmu 
C27.H69.N5.O6.F4.P6.S1.		5.0	853.3330	-0.5 mmu 
C26.H73.N1.O10.F4.P6.S1.		0.0	853.3317	+0.8 mmu 
C36.H66.N3.F5.P6.S1.		14.0	853.3323	+0.2 mmu 
C21.H62.N15.O1.F5.P6.S1.		7.0	853.3328	-0.3 mmu 
C24.H70.N5.O7.F5.P6.S1.		1.0	853.3342	-1.7 mmu 
C33.H67.N3.O1.F6.P6.S1.		10.0	853.3335	-1.0 mmu 
C26.H64.N9.F7.P6.S1.		7.0	853.3319	+0.6 mmu 
C23.H65.N9.O1.F8.P6.S1.		3.0	853.3331	-0.6 mmu 
C28.H67.N3.F10.P6.S1.		3.0	853.3322	+0.3 mmu 
C23.H62.N19.P7.S1.		15.0	853.3320	+0.5 mmu 
C42.H70.N1.O1.P7.S1.		21.0	853.3341	-1.6 mmu 
C26.H70.N9.O6.P7.S1.		9.0	853.3333	-0.8 mmu 
C25.H74.N5.O10.P7.S1.		4.0	853.3320	+0.5 mmu 
C35.H67.N7.F1.P7.S1.		18.0	853.3326	-0.1 mmu 
C34.H71.N3.O4.F1.P7.S1.		13.0	853.3313	+1.2 mmu 
C32.H68.N7.O1.F2.P7.S1.		14.0	853.3337	-1.2 mmu 
C31.H72.N3.O5.F2.P7.S1.		9.0	853.3324	+0.1 mmu 
C25.H65.N13.F3.P7.S1.		11.0	853.3322	+0.3 mmu 
C24.H69.N9.O4.F3.P7.S1.		6.0	853.3309	+1.6 mmu 
C28.H73.N3.O6.F3.P7.S1.		5.0	853.3335	-1.0 mmu 
C37.H70.N1.F4.P7.S1.		14.0	853.3328	-0.3 mmu 
C22.H66.N13.O1.F4.P7.S1.		7.0	853.3333	-0.8 mmu 
C34.H71.N1.O1.F5.P7.S1.		10.0	853.3340	-1.5 mmu 
C27.H68.N7.F6.P7.S1.		7.0	853.3324	+0.1 mmu 
C26.H72.N3.O4.F6.P7.S1.		2.0	853.3311	+1.4 mmu 
C24.H69.N7.O1.F7.P7.S1.		3.0	853.3336	-1.1 mmu 
C29.H71.N1.F9.P7.S1.		3.0	853.3327	-0.2 mmu 
C36.H71.N5.P8.S1.		18.0	853.3331	-0.6 mmu 
C35.H75.N1.O4.P8.S1.		13.0	853.3318	+0.7 mmu 
C32.H76.N1.O5.F1.P8.S1.		9.0	853.3329	-0.4 mmu 
C26.H69.N11.F2.P8.S1.		11.0	853.3327	-0.2 mmu 
C25.H73.N7.O4.F2.P8.S1.		6.0	853.3314	+1.1 mmu 
C29.H77.N1.O6.F2.P8.S1.		5.0	853.3341	-1.6 mmu 
C28.H72.N5.F5.P8.S1.		7.0	853.3330	-0.5 mmu 
C27.H76.N1.O4.F5.P8.S1.		2.0	853.3316	+0.9 mmu 
C25.H73.N5.O1.F6.P8.S1.		3.0	853.3341	-1.6 mmu 
C29.H76.N3.F4.P9.S1.		7.0	853.3335	-1.0 mmu 
C30.H43.N23.O4.S2.		25.0	853.3310	+1.5 mmu 
C49.H51.N5.O5.S2.		31.0	853.3332	-0.7 mmu 
C34.H47.N17.O6.S2.		24.0	853.3337	-1.2 mmu 
C48.H55.N1.O9.S2.		26.0	853.3318	+0.7 mmu 
C33.H51.N13.O10.S2.		19.0	853.3323	+0.2 mmu 
C18.H47.N25.O11.S2.		12.0	853.3328	-0.3 mmu 
C32.H55.N9.O14.S2.		14.0	853.3310	+1.5 mmu 
C17.H51.N21.O15.S2.		7.0	853.3315	+1.0 mmu 
C36.H59.N3.O16.S2.		13.0	853.3337	-1.2 mmu 
C21.H55.N15.O17.S2.		6.0	853.3342	-1.7 mmu 
C20.H59.N11.O21.S2.		1.0	853.3328	-0.3 mmu 
C43.H44.N15.F1.S2.		33.0	853.3330	-0.5 mmu 
C42.H48.N11.O4.F1.S2.		28.0	853.3316	+0.9 mmu 
C27.H44.N23.O5.F1.S2.		21.0	853.3321	+0.4 mmu 
C45.H56.N1.O10.F1.S2.		22.0	853.3330	-0.5 mmu 
C30.H52.N13.O11.F1.S2.		15.0	853.3335	-1.0 mmu 
C29.H56.N9.O15.F1.S2.		10.0	853.3321	+0.4 mmu 
C28.H60.N5.O19.F1.S2.		5.0	853.3308	+1.7 mmu 
C55.H49.N3.F2.S2.		36.0	853.3336	-1.1 mmu 
C40.H45.N15.O1.F2.S2.		29.0	853.3341	-1.6 mmu 
C39.H49.N11.O5.F2.S2.		24.0	853.3328	-0.3 mmu 
C24.H45.N23.O6.F2.S2.		17.0	853.3333	-0.8 mmu 
C38.H53.N7.O9.F2.S2.		19.0	853.3314	+1.1 mmu 
C23.H49.N19.O10.F2.S2.		12.0	853.3319	+0.6 mmu 
C42.H57.N1.O11.F2.S2.		18.0	853.3341	-1.6 mmu 
C26.H57.N9.O16.F2.S2.		6.0	853.3333	-0.8 mmu 
C25.H61.N5.O20.F2.S2.		1.0	853.3319	+0.6 mmu 
C33.H42.N21.F3.S2.		26.0	853.3326	-0.1 mmu 
C32.H46.N17.O4.F3.S2.		21.0	853.3312	+1.3 mmu 
C36.H50.N11.O6.F3.S2.		20.0	853.3339	-1.4 mmu 
C35.H54.N7.O10.F3.S2.		15.0	853.3326	-0.1 mmu 
C20.H50.N19.O11.F3.S2.		8.0	853.3331	-0.6 mmu 
C34.H58.N3.O14.F3.S2.		10.0	853.3312	+1.3 mmu 
C19.H54.N15.O15.F3.S2.		3.0	853.3317	+0.8 mmu 
C45.H47.N9.F4.S2.		29.0	853.3332	-0.7 mmu 
C30.H43.N21.O1.F4.S2.		22.0	853.3337	-1.2 mmu 
C44.H51.N5.O4.F4.S2.		24.0	853.3319	+0.6 mmu 
C29.H47.N17.O5.F4.S2.		17.0	853.3324	+0.1 mmu 
C28.H51.N13.O9.F4.S2.		12.0	853.3310	+1.5 mmu 
C32.H55.N7.O11.F4.S2.		11.0	853.3337	-1.2 mmu 
C31.H59.N3.O15.F4.S2.		6.0	853.3324	+0.1 mmu 
C22.H44.N23.O4.F5.S2.		14.0	853.3308	+1.7 mmu 
C41.H52.N5.O5.F5.S2.		20.0	853.3330	-0.5 mmu 
C26.H48.N17.O6.F5.S2.		13.0	853.3335	-1.0 mmu 
C40.H56.N1.O9.F5.S2.		15.0	853.3317	+0.8 mmu 
C25.H52.N13.O10.F5.S2.		8.0	853.3322	+0.3 mmu 
C24.H56.N9.O14.F5.S2.		3.0	853.3308	+1.7 mmu 
C28.H60.N3.O16.F5.S2.		2.0	853.3335	-1.0 mmu 
C35.H45.N15.F6.S2.		22.0	853.3328	-0.3 mmu 
C34.H49.N11.O4.F6.S2.		17.0	853.3315	+1.0 mmu 
C19.H45.N23.O5.F6.S2.		10.0	853.3320	+0.5 mmu 
C38.H53.N5.O6.F6.S2.		16.0	853.3341	-1.6 mmu 
C37.H57.N1.O10.F6.S2.		11.0	853.3328	-0.3 mmu 
C22.H53.N13.O11.F6.S2.		4.0	853.3333	-0.8 mmu 
C47.H50.N3.F7.S2.		25.0	853.3334	-0.9 mmu 
C32.H46.N15.O1.F7.S2.		18.0	853.3339	-1.4 mmu 
C31.H50.N11.O5.F7.S2.		13.0	853.3326	-0.1 mmu 
C16.H46.N23.O6.F7.S2.		6.0	853.3331	-0.6 mmu 
C30.H54.N7.O9.F7.S2.		8.0	853.3313	+1.2 mmu 
C34.H58.N1.O11.F7.S2.		7.0	853.3340	-1.5 mmu 
C25.H43.N21.F8.S2.		15.0	853.3324	+0.1 mmu 
C24.H47.N17.O4.F8.S2.		10.0	853.3311	+1.4 mmu 
C28.H51.N11.O6.F8.S2.		9.0	853.3337	-1.2 mmu 
C27.H55.N7.O10.F8.S2.		4.0	853.3324	+0.1 mmu 
C37.H48.N9.F9.S2.		18.0	853.3330	-0.5 mmu 
C22.H44.N21.O1.F9.S2.		11.0	853.3335	-1.0 mmu 
C36.H52.N5.O4.F9.S2.		13.0	853.3317	+0.8 mmu 
C21.H48.N17.O5.F9.S2.		6.0	853.3322	+0.3 mmu 
C20.H52.N13.O9.F9.S2.		1.0	853.3309	+1.6 mmu 
C24.H56.N7.O11.F9.S2.		0.0	853.3336	-1.1 mmu 
C34.H49.N9.O1.F10.S2.		14.0	853.3342	-1.7 mmu 
C33.H53.N5.O5.F10.S2.		9.0	853.3328	-0.3 mmu 
C18.H49.N17.O6.F10.S2.		2.0	853.3333	-0.8 mmu 
C32.H57.N1.O9.F10.S2.		4.0	853.3315	+1.0 mmu 
C27.H46.N15.F11.S2.		11.0	853.3326	-0.1 mmu 
C26.H50.N11.O4.F11.S2.		6.0	853.3313	+1.2 mmu 
C30.H54.N5.O6.F11.S2.		5.0	853.3340	-1.5 mmu 
C29.H58.N1.O10.F11.S2.		0.0	853.3326	-0.1 mmu 
C39.H51.N3.F12.S2.		14.0	853.3333	-0.8 mmu 
C24.H47.N15.O1.F12.S2.		7.0	853.3338	-1.3 mmu 
C23.H51.N11.O5.F12.S2.		2.0	853.3324	+0.1 mmu 
C44.H48.N13.P1.S2.		33.0	853.3335	-1.0 mmu 
C29.H44.N25.O1.P1.S2.		26.0	853.3340	-1.5 mmu 
C43.H52.N9.O4.P1.S2.		28.0	853.3321	+0.4 mmu 
C28.H48.N21.O5.P1.S2.		21.0	853.3326	-0.1 mmu 
C27.H52.N17.O9.P1.S2.		16.0	853.3313	+1.2 mmu 
C31.H56.N11.O11.P1.S2.		15.0	853.3340	-1.5 mmu 
C30.H60.N7.O15.P1.S2.		10.0	853.3326	-0.1 mmu 
C29.H64.N3.O19.P1.S2.		5.0	853.3313	+1.2 mmu 
C56.H53.N1.F1.P1.S2.		36.0	853.3341	-1.6 mmu 
C40.H53.N9.O5.F1.P1.S2.		24.0	853.3333	-0.8 mmu 
C25.H49.N21.O6.F1.P1.S2.		17.0	853.3338	-1.3 mmu 
C39.H57.N5.O9.F1.P1.S2.		19.0	853.3319	+0.6 mmu 
C24.H53.N17.O10.F1.P1.S2.		12.0	853.3324	+0.1 mmu 
C23.H57.N13.O14.F1.P1.S2.		7.0	853.3311	+1.4 mmu 
C27.H61.N7.O16.F1.P1.S2.		6.0	853.3338	-1.3 mmu 
C26.H65.N3.O20.F1.P1.S2.		1.0	853.3324	+0.1 mmu 
C34.H46.N19.F2.P1.S2.		26.0	853.3331	-0.6 mmu 
C48.H54.N3.O3.F2.P1.S2.		28.0	853.3312	+1.3 mmu 
C33.H50.N15.O4.F2.P1.S2.		21.0	853.3317	+0.8 mmu 
C17.H50.N23.O9.F2.P1.S2.		9.0	853.3309	+1.6 mmu 
C36.H58.N5.O10.F2.P1.S2.		15.0	853.3331	-0.6 mmu 
C21.H54.N17.O11.F2.P1.S2.		8.0	853.3336	-1.1 mmu 
C35.H62.N1.O14.F2.P1.S2.		10.0	853.3317	+0.8 mmu 
C20.H58.N13.O15.F2.P1.S2.		3.0	853.3322	+0.3 mmu 
C46.H51.N7.F3.P1.S2.		29.0	853.3337	-1.2 mmu 
C45.H55.N3.O4.F3.P1.S2.		24.0	853.3324	+0.1 mmu 
C30.H51.N15.O5.F3.P1.S2.		17.0	853.3329	-0.4 mmu 
C29.H55.N11.O9.F3.P1.S2.		12.0	853.3315	+1.0 mmu 
C32.H63.N1.O15.F3.P1.S2.		6.0	853.3329	-0.4 mmu 
C24.H44.N25.F4.P1.S2.		19.0	853.3327	-0.2 mmu 
C38.H52.N9.O3.F4.P1.S2.		21.0	853.3308	+1.7 mmu 
C23.H48.N21.O4.F4.P1.S2.		14.0	853.3313	+1.2 mmu 
C42.H56.N3.O5.F4.P1.S2.		20.0	853.3335	-1.0 mmu 
C27.H52.N15.O6.F4.P1.S2.		13.0	853.3340	-1.5 mmu 
C26.H56.N11.O10.F4.P1.S2.		8.0	853.3327	-0.2 mmu 
C25.H60.N7.O14.F4.P1.S2.		3.0	853.3313	+1.2 mmu 
C29.H64.N1.O16.F4.P1.S2.		2.0	853.3340	-1.5 mmu 
C36.H49.N13.F5.P1.S2.		22.0	853.3333	-0.8 mmu 
C21.H45.N25.O1.F5.P1.S2.		15.0	853.3338	-1.3 mmu 
C35.H53.N9.O4.F5.P1.S2.		17.0	853.3320	+0.5 mmu 
C20.H49.N21.O5.F5.P1.S2.		10.0	853.3325	+0.0 mmu 
C19.H53.N17.O9.F5.P1.S2.		5.0	853.3311	+1.4 mmu 
C23.H57.N11.O11.F5.P1.S2.		4.0	853.3338	-1.3 mmu 
C48.H54.N1.F6.P1.S2.		25.0	853.3339	-1.4 mmu 
C32.H54.N9.O5.F6.P1.S2.		13.0	853.3331	-0.6 mmu 
C17.H50.N21.O6.F6.P1.S2.		6.0	853.3336	-1.1 mmu 
C31.H58.N5.O9.F6.P1.S2.		8.0	853.3318	+0.7 mmu 
C26.H47.N19.F7.P1.S2.		15.0	853.3329	-0.4 mmu 
C40.H55.N3.O3.F7.P1.S2.		17.0	853.3311	+1.4 mmu 
C25.H51.N15.O4.F7.P1.S2.		10.0	853.3316	+0.9 mmu 
C28.H59.N5.O10.F7.P1.S2.		4.0	853.3329	-0.4 mmu 
C38.H52.N7.F8.P1.S2.		18.0	853.3335	-1.0 mmu 
C23.H48.N19.O1.F8.P1.S2.		11.0	853.3341	-1.6 mmu 
C37.H56.N3.O4.F8.P1.S2.		13.0	853.3322	+0.3 mmu 
C22.H52.N15.O5.F8.P1.S2.		6.0	853.3327	-0.2 mmu 
C21.H56.N11.O9.F8.P1.S2.		1.0	853.3314	+1.1 mmu 
C25.H60.N5.O11.F8.P1.S2.		0.0	853.3341	-1.6 mmu 
C16.H45.N25.F9.P1.S2.		8.0	853.3325	-0.0 mmu 
C34.H57.N3.O5.F9.P1.S2.		9.0	853.3334	-0.9 mmu 
C19.H53.N15.O6.F9.P1.S2.		2.0	853.3339	-1.4 mmu 
C28.H50.N13.F10.P1.S2.		11.0	853.3331	-0.6 mmu 
C27.H54.N9.O4.F10.P1.S2.		6.0	853.3318	+0.7 mmu 
C40.H55.N1.F11.P1.S2.		14.0	853.3338	-1.3 mmu 
C24.H55.N9.O5.F11.P1.S2.		2.0	853.3330	-0.5 mmu 
C18.H48.N19.F12.P1.S2.		4.0	853.3327	-0.2 mmu 
C32.H56.N3.O3.F12.P1.S2.		6.0	853.3309	+1.6 mmu 
C37.H53.N13.O3.P2.S2.		25.0	853.3311	+1.4 mmu 
C22.H49.N25.O4.P2.S2.		18.0	853.3316	+0.9 mmu 
C41.H57.N7.O5.P2.S2.		24.0	853.3338	-1.3 mmu 
C40.H61.N3.O9.P2.S2.		19.0	853.3324	+0.1 mmu 
C25.H57.N15.O10.P2.S2.		12.0	853.3329	-0.4 mmu 
C24.H61.N11.O14.P2.S2.		7.0	853.3316	+0.9 mmu 
C27.H69.N1.O20.P2.S2.		1.0	853.3330	-0.5 mmu 
C35.H50.N17.F1.P2.S2.		26.0	853.3336	-1.1 mmu 
C49.H58.N1.O3.F1.P2.S2.		28.0	853.3317	+0.8 mmu 
C34.H54.N13.O4.F1.P2.S2.		21.0	853.3322	+0.3 mmu 
C19.H50.N25.O5.F1.P2.S2.		14.0	853.3327	-0.2 mmu 
C33.H58.N9.O8.F1.P2.S2.		16.0	853.3309	+1.6 mmu 
C18.H54.N21.O9.F1.P2.S2.		9.0	853.3314	+1.1 mmu 
C37.H62.N3.O10.F1.P2.S2.		15.0	853.3336	-1.1 mmu 
C22.H58.N15.O11.F1.P2.S2.		8.0	853.3341	-1.6 mmu 
C21.H62.N11.O15.F1.P2.S2.		3.0	853.3328	-0.3 mmu 
C46.H59.N1.O4.F2.P2.S2.		24.0	853.3329	-0.4 mmu 
C31.H55.N13.O5.F2.P2.S2.		17.0	853.3334	-0.9 mmu 
C30.H59.N9.O9.F2.P2.S2.		12.0	853.3320	+0.5 mmu 
C25.H48.N23.F3.P2.S2.		19.0	853.3332	-0.7 mmu 
C39.H56.N7.O3.F3.P2.S2.		21.0	853.3313	+1.2 mmu 
C24.H52.N19.O4.F3.P2.S2.		14.0	853.3318	+0.7 mmu 
C43.H60.N1.O5.F3.P2.S2.		20.0	853.3340	-1.5 mmu 
C27.H60.N9.O10.F3.P2.S2.		8.0	853.3332	-0.7 mmu 
C26.H64.N5.O14.F3.P2.S2.		3.0	853.3319	+0.6 mmu 
C37.H53.N11.F4.P2.S2.		22.0	853.3338	-1.3 mmu 
C36.H57.N7.O4.F4.P2.S2.		17.0	853.3325	+0.0 mmu 
C21.H53.N19.O5.F4.P2.S2.		10.0	853.3330	-0.5 mmu 
C35.H61.N3.O8.F4.P2.S2.		12.0	853.3311	+1.4 mmu 
C20.H57.N15.O9.F4.P2.S2.		5.0	853.3316	+0.9 mmu 
C29.H54.N13.O3.F5.P2.S2.		14.0	853.3309	+1.6 mmu 
C33.H58.N7.O5.F5.P2.S2.		13.0	853.3336	-1.1 mmu 
C18.H54.N19.O6.F5.P2.S2.		6.0	853.3341	-1.6 mmu 
C32.H62.N3.O9.F5.P2.S2.		8.0	853.3323	+0.2 mmu 
C27.H51.N17.F6.P2.S2.		15.0	853.3334	-0.9 mmu 
C41.H59.N1.O3.F6.P2.S2.		17.0	853.3316	+0.9 mmu 
C26.H55.N13.O4.F6.P2.S2.		10.0	853.3321	+0.4 mmu 
C29.H63.N3.O10.F6.P2.S2.		4.0	853.3334	-0.9 mmu 
C39.H56.N5.F7.P2.S2.		18.0	853.3341	-1.6 mmu 
C38.H60.N1.O4.F7.P2.S2.		13.0	853.3327	-0.2 mmu 
C23.H56.N13.O5.F7.P2.S2.		6.0	853.3332	-0.7 mmu 
C22.H60.N9.O9.F7.P2.S2.		1.0	853.3319	+0.6 mmu 
C17.H49.N23.F8.P2.S2.		8.0	853.3330	-0.5 mmu 
C31.H57.N7.O3.F8.P2.S2.		10.0	853.3312	+1.3 mmu 
C35.H61.N1.O5.F8.P2.S2.		9.0	853.3339	-1.4 mmu 
C29.H54.N11.F9.P2.S2.		11.0	853.3337	-1.2 mmu 
C28.H58.N7.O4.F9.P2.S2.		6.0	853.3323	+0.2 mmu 
C27.H62.N3.O8.F9.P2.S2.		1.0	853.3310	+1.5 mmu 
C25.H59.N7.O5.F10.P2.S2.		2.0	853.3335	-1.0 mmu 
C19.H52.N17.F11.P2.S2.		4.0	853.3333	-0.8 mmu 
C33.H60.N1.O3.F11.P2.S2.		6.0	853.3314	+1.1 mmu 
C31.H57.N5.F12.P2.S2.		7.0	853.3339	-1.4 mmu 
C30.H61.N1.O4.F12.P2.S2.		2.0	853.3326	-0.1 mmu 
C36.H54.N15.P3.S2.		26.0	853.3341	-1.6 mmu 
C35.H58.N11.O4.P3.S2.		21.0	853.3328	-0.3 mmu 
C20.H54.N23.O5.P3.S2.		14.0	853.3333	-0.8 mmu 
C34.H62.N7.O8.P3.S2.		16.0	853.3314	+1.1 mmu 
C38.H66.N1.O10.P3.S2.		15.0	853.3341	-1.6 mmu 
C22.H66.N9.O15.P3.S2.		3.0	853.3333	-0.8 mmu 
C28.H55.N17.O3.F1.P3.S2.		18.0	853.3312	+1.3 mmu 
C32.H59.N11.O5.F1.P3.S2.		17.0	853.3339	-1.4 mmu 
C31.H63.N7.O9.F1.P3.S2.		12.0	853.3326	-0.1 mmu 
C30.H67.N3.O13.F1.P3.S2.		7.0	853.3312	+1.3 mmu 
C26.H52.N21.F2.P3.S2.		19.0	853.3337	-1.2 mmu 
C40.H60.N5.O3.F2.P3.S2.		21.0	853.3318	+0.7 mmu 
C25.H56.N17.O4.F2.P3.S2.		14.0	853.3324	+0.1 mmu 
C24.H60.N13.O8.F2.P3.S2.		9.0	853.3310	+1.5 mmu 
C28.H64.N7.O10.F2.P3.S2.		8.0	853.3337	-1.2 mmu 
C27.H68.N3.O14.F2.P3.S2.		3.0	853.3324	+0.1 mmu 
C18.H53.N23.O3.F3.P3.S2.		11.0	853.3308	+1.7 mmu 
C37.H61.N5.O4.F3.P3.S2.		17.0	853.3330	-0.5 mmu 
C22.H57.N17.O5.F3.P3.S2.		10.0	853.3335	-1.0 mmu 
C36.H65.N1.O8.F3.P3.S2.		12.0	853.3317	+0.8 mmu 
C21.H61.N13.O9.F3.P3.S2.		5.0	853.3322	+0.3 mmu 
C30.H58.N11.O3.F4.P3.S2.		14.0	853.3314	+1.1 mmu 
C34.H62.N5.O5.F4.P3.S2.		13.0	853.3341	-1.6 mmu 
C33.H66.N1.O9.F4.P3.S2.		8.0	853.3328	-0.3 mmu 
C28.H55.N15.F5.P3.S2.		15.0	853.3339	-1.4 mmu 
C27.H59.N11.O4.F5.P3.S2.		10.0	853.3326	-0.1 mmu 
C26.H63.N7.O8.F5.P3.S2.		5.0	853.3313	+1.2 mmu 
C30.H67.N1.O10.F5.P3.S2.		4.0	853.3339	-1.4 mmu 
C20.H56.N17.O3.F6.P3.S2.		7.0	853.3310	+1.5 mmu 
C24.H60.N11.O5.F6.P3.S2.		6.0	853.3337	-1.2 mmu 
C23.H64.N7.O9.F6.P3.S2.		1.0	853.3324	+0.1 mmu 
C18.H53.N21.F7.P3.S2.		8.0	853.3335	-1.0 mmu 
C32.H61.N5.O3.F7.P3.S2.		10.0	853.3317	+0.8 mmu 
C30.H58.N9.F8.P3.S2.		11.0	853.3342	-1.7 mmu 
C29.H62.N5.O4.F8.P3.S2.		6.0	853.3328	-0.3 mmu 
C28.H66.N1.O8.F8.P3.S2.		1.0	853.3315	+1.0 mmu 
C22.H59.N11.O3.F9.P3.S2.		3.0	853.3313	+1.2 mmu 
C26.H63.N5.O5.F9.P3.S2.		2.0	853.3340	-1.5 mmu 
C20.H56.N15.F10.P3.S2.		4.0	853.3338	-1.3 mmu 
C44.H63.N3.O2.P4.S2.		25.0	853.3312	+1.3 mmu 
C29.H59.N15.O3.P4.S2.		18.0	853.3317	+0.8 mmu 
C32.H67.N5.O9.P4.S2.		12.0	853.3331	-0.6 mmu 
C31.H71.N1.O13.P4.S2.		7.0	853.3317	+0.8 mmu 
C27.H56.N19.F1.P4.S2.		19.0	853.3342	-1.7 mmu 
C41.H64.N3.O3.F1.P4.S2.		21.0	853.3324	+0.1 mmu 
C26.H60.N15.O4.F1.P4.S2.		14.0	853.3329	-0.4 mmu 
C25.H64.N11.O8.F1.P4.S2.		9.0	853.3315	+1.0 mmu 
C28.H72.N1.O14.F1.P4.S2.		3.0	853.3329	-0.4 mmu 
C34.H61.N9.O2.F2.P4.S2.		18.0	853.3308	+1.7 mmu 
C19.H57.N21.O3.F2.P4.S2.		11.0	853.3313	+1.2 mmu 
C38.H65.N3.O4.F2.P4.S2.		17.0	853.3335	-1.0 mmu 
C23.H61.N15.O5.F2.P4.S2.		10.0	853.3340	-1.5 mmu 
C22.H65.N11.O9.F2.P4.S2.		5.0	853.3327	-0.2 mmu 
C31.H62.N9.O3.F3.P4.S2.		14.0	853.3320	+0.5 mmu 
C28.H63.N9.O4.F4.P4.S2.		10.0	853.3331	-0.6 mmu 
C27.H67.N5.O8.F4.P4.S2.		5.0	853.3318	+0.7 mmu 
C36.H64.N3.O2.F5.P4.S2.		14.0	853.3311	+1.4 mmu 
C21.H60.N15.O3.F5.P4.S2.		7.0	853.3316	+0.9 mmu 
C24.H68.N5.O9.F5.P4.S2.		1.0	853.3329	-0.4 mmu 
C19.H57.N19.F6.P4.S2.		8.0	853.3340	-1.5 mmu 
C33.H65.N3.O3.F6.P4.S2.		10.0	853.3322	+0.3 mmu 
C30.H66.N3.O4.F7.P4.S2.		6.0	853.3333	-0.8 mmu 
C23.H63.N9.O3.F8.P4.S2.		3.0	853.3318	+0.7 mmu 
C28.H65.N3.O2.F10.P4.S2.		3.0	853.3309	+1.6 mmu 
C42.H68.N1.O3.P5.S2.		21.0	853.3329	-0.4 mmu 
C27.H64.N13.O4.P5.S2.		14.0	853.3334	-0.9 mmu 
C26.H68.N9.O8.P5.S2.		9.0	853.3320	+0.5 mmu 
C35.H65.N7.O2.F1.P5.S2.		18.0	853.3313	+1.2 mmu 
C39.H69.N1.O4.F1.P5.S2.		17.0	853.3340	-1.5 mmu 
C23.H69.N9.O9.F1.P5.S2.		5.0	853.3332	-0.7 mmu 
C32.H66.N7.O3.F2.P5.S2.		14.0	853.3325	+0.0 mmu 
C31.H70.N3.O7.F2.P5.S2.		9.0	853.3311	+1.4 mmu 
C25.H63.N13.O2.F3.P5.S2.		11.0	853.3309	+1.6 mmu 
C29.H67.N7.O4.F3.P5.S2.		10.0	853.3336	-1.1 mmu 
C28.H71.N3.O8.F3.P5.S2.		5.0	853.3323	+0.2 mmu 
C37.H68.N1.O2.F4.P5.S2.		14.0	853.3316	+0.9 mmu 
C22.H64.N13.O3.F4.P5.S2.		7.0	853.3321	+0.4 mmu 
C25.H72.N3.O9.F4.P5.S2.		1.0	853.3334	-0.9 mmu 
C34.H69.N1.O3.F5.P5.S2.		10.0	853.3327	-0.2 mmu 
C27.H66.N7.O2.F6.P5.S2.		7.0	853.3312	+1.3 mmu 
C31.H70.N1.O4.F6.P5.S2.		6.0	853.3339	-1.4 mmu 
C24.H67.N7.O3.F7.P5.S2.		3.0	853.3323	+0.2 mmu 
C29.H69.N1.O2.F9.P5.S2.		3.0	853.3314	+1.1 mmu 
C36.H69.N5.O2.P6.S2.		18.0	853.3318	+0.7 mmu 
C33.H70.N5.O3.F1.P6.S2.		14.0	853.3330	-0.5 mmu 
C32.H74.N1.O7.F1.P6.S2.		9.0	853.3316	+0.9 mmu 
C26.H67.N11.O2.F2.P6.S2.		11.0	853.3314	+1.1 mmu 
C30.H71.N5.O4.F2.P6.S2.		10.0	853.3341	-1.6 mmu 
C29.H75.N1.O8.F2.P6.S2.		5.0	853.3328	-0.3 mmu 
C23.H68.N11.O3.F3.P6.S2.		7.0	853.3326	-0.1 mmu 
C26.H76.N1.O9.F3.P6.S2.		1.0	853.3339	-1.4 mmu 
C28.H70.N5.O2.F5.P6.S2.		7.0	853.3317	+0.8 mmu 
C25.H71.N5.O3.F6.P6.S2.		3.0	853.3328	-0.3 mmu 
C30.H70.N9.O1.P7.S2.		15.0	853.3308	+1.7 mmu 
C34.H74.N3.O3.P7.S2.		14.0	853.3335	-1.0 mmu 
C27.H71.N9.O2.F1.P7.S2.		11.0	853.3319	+0.6 mmu 
C24.H72.N9.O3.F2.P7.S2.		7.0	853.3331	-0.6 mmu 
C32.H73.N3.O1.F3.P7.S2.		11.0	853.3310	+1.5 mmu 
C29.H74.N3.O2.F4.P7.S2.		7.0	853.3322	+0.3 mmu 
C26.H75.N3.O3.F5.P7.S2.		3.0	853.3333	-0.8 mmu 
C28.H75.N7.O2.P8.S2.		11.0	853.3325	+0.0 mmu 
C27.H79.N3.O6.P8.S2.		6.0	853.3311	+1.4 mmu 
C33.H77.N1.O1.F2.P8.S2.		11.0	853.3316	+0.9 mmu 
C30.H78.N1.O2.F3.P8.S2.		7.0	853.3327	-0.2 mmu 
C27.H79.N1.O3.F4.P8.S2.		3.0	853.3338	-1.3 mmu 
C38.H47.N17.O1.S3.		30.0	853.3312	+1.3 mmu 
C42.H51.N11.O3.S3.		29.0	853.3338	-1.3 mmu 
C41.H55.N7.O7.S3.		24.0	853.3325	-0.0 mmu 
C26.H51.N19.O8.S3.		17.0	853.3330	-0.5 mmu 
C40.H59.N3.O11.S3.		19.0	853.3312	+1.3 mmu 
C25.H55.N15.O12.S3.		12.0	853.3317	+0.8 mmu 
C28.H63.N5.O18.S3.		6.0	853.3330	-0.5 mmu 
C27.H67.N1.O22.S3.		1.0	853.3317	+0.8 mmu 
C50.H52.N5.O1.F1.S3.		33.0	853.3318	+0.7 mmu 
C35.H48.N17.O2.F1.S3.		26.0	853.3323	+0.2 mmu 
C34.H52.N13.O6.F1.S3.		21.0	853.3310	+1.5 mmu 
C19.H48.N25.O7.F1.S3.		14.0	853.3315	+1.0 mmu 
C38.H56.N7.O8.F1.S3.		20.0	853.3337	-1.2 mmu 
C23.H52.N19.O9.F1.S3.		13.0	853.3342	-1.7 mmu 
C37.H60.N3.O12.F1.S3.		15.0	853.3323	+0.2 mmu 
C22.H56.N15.O13.F1.S3.		8.0	853.3328	-0.3 mmu 
C21.H60.N11.O17.F1.S3.		3.0	853.3315	+1.0 mmu 
C25.H64.N5.O19.F1.S3.		2.0	853.3342	-1.7 mmu 
C47.H53.N5.O2.F2.S3.		29.0	853.3329	-0.4 mmu 
C32.H49.N17.O3.F2.S3.		22.0	853.3334	-0.9 mmu 
C46.H57.N1.O6.F2.S3.		24.0	853.3316	+0.9 mmu 
C31.H53.N13.O7.F2.S3.		17.0	853.3321	+0.4 mmu 
C34.H61.N3.O13.F2.S3.		11.0	853.3335	-1.0 mmu 
C19.H57.N15.O14.F2.S3.		4.0	853.3340	-1.5 mmu 
C40.H50.N11.O1.F3.S3.		26.0	853.3314	+1.1 mmu 
C25.H46.N23.O2.F3.S3.		19.0	853.3319	+0.6 mmu 
C44.H54.N5.O3.F3.S3.		25.0	853.3341	-1.6 mmu 
C43.H58.N1.O7.F3.S3.		20.0	853.3327	-0.2 mmu 
C28.H54.N13.O8.F3.S3.		13.0	853.3333	-0.8 mmu 
C27.H58.N9.O12.F3.S3.		8.0	853.3319	+0.6 mmu 
C37.H51.N11.O2.F4.S3.		22.0	853.3325	-0.0 mmu 
C22.H47.N23.O3.F4.S3.		15.0	853.3330	-0.5 mmu 
C36.H55.N7.O6.F4.S3.		17.0	853.3312	+1.3 mmu 
C21.H51.N19.O7.F4.S3.		10.0	853.3317	+0.8 mmu 
C40.H59.N1.O8.F4.S3.		16.0	853.3339	-1.4 mmu 
C24.H59.N9.O13.F4.S3.		4.0	853.3331	-0.6 mmu 
C30.H48.N17.O1.F5.S3.		19.0	853.3310	+1.5 mmu 
C34.H52.N11.O3.F5.S3.		18.0	853.3337	-1.2 mmu 
C19.H48.N23.O4.F5.S3.		11.0	853.3342	-1.7 mmu 
C33.H56.N7.O7.F5.S3.		13.0	853.3324	+0.1 mmu 
C18.H52.N19.O8.F5.S3.		6.0	853.3329	-0.4 mmu 
C32.H60.N3.O11.F5.S3.		8.0	853.3310	+1.5 mmu 
C21.H60.N9.O14.F5.S3.		0.0	853.3342	-1.7 mmu 
C42.H53.N5.O1.F6.S3.		22.0	853.3316	+0.9 mmu 
C27.H49.N17.O2.F6.S3.		15.0	853.3321	+0.4 mmu 
C26.H53.N13.O6.F6.S3.		10.0	853.3308	+1.7 mmu 
C30.H57.N7.O8.F6.S3.		9.0	853.3335	-1.0 mmu 
C29.H61.N3.O12.F6.S3.		4.0	853.3322	+0.3 mmu 
C39.H54.N5.O2.F7.S3.		18.0	853.3328	-0.3 mmu 
C24.H50.N17.O3.F7.S3.		11.0	853.3333	-0.8 mmu 
C38.H58.N1.O6.F7.S3.		13.0	853.3314	+1.1 mmu 
C23.H54.N13.O7.F7.S3.		6.0	853.3320	+0.5 mmu 
C26.H62.N3.O13.F7.S3.		0.0	853.3333	-0.8 mmu 
C32.H51.N11.O1.F8.S3.		15.0	853.3312	+1.3 mmu 
C17.H47.N23.O2.F8.S3.		8.0	853.3317	+0.8 mmu 
C36.H55.N5.O3.F8.S3.		14.0	853.3339	-1.4 mmu 
C35.H59.N1.O7.F8.S3.		9.0	853.3326	-0.1 mmu 
C20.H55.N13.O8.F8.S3.		2.0	853.3331	-0.6 mmu 
C29.H52.N11.O2.F9.S3.		11.0	853.3324	+0.1 mmu 
C28.H56.N7.O6.F9.S3.		6.0	853.3310	+1.5 mmu 
C32.H60.N1.O8.F9.S3.		5.0	853.3337	-1.2 mmu 
C22.H49.N17.O1.F10.S3.		8.0	853.3308	+1.7 mmu 
C26.H53.N11.O3.F10.S3.		7.0	853.3335	-1.0 mmu 
C25.H57.N7.O7.F10.S3.		2.0	853.3322	+0.3 mmu 
C34.H54.N5.O1.F11.S3.		11.0	853.3315	+1.0 mmu 
C19.H50.N17.O2.F11.S3.		4.0	853.3320	+0.5 mmu 
C31.H55.N5.O2.F12.S3.		7.0	853.3326	-0.1 mmu 
C30.H59.N1.O6.F12.S3.		2.0	853.3313	+1.2 mmu 
C51.H56.N3.O1.P1.S3.		33.0	853.3323	+0.2 mmu 
C36.H52.N15.O2.P1.S3.		26.0	853.3328	-0.3 mmu 
C35.H56.N11.O6.P1.S3.		21.0	853.3315	+1.0 mmu 
C20.H52.N23.O7.P1.S3.		14.0	853.3320	+0.5 mmu 
C39.H60.N5.O8.P1.S3.		20.0	853.3342	-1.7 mmu 
C38.H64.N1.O12.P1.S3.		15.0	853.3328	-0.3 mmu 
C23.H60.N13.O13.P1.S3.		8.0	853.3333	-0.8 mmu 
C22.H64.N9.O17.P1.S3.		3.0	853.3320	+0.5 mmu 
C29.H49.N21.O1.F1.P1.S3.		23.0	853.3313	+1.2 mmu 
C48.H57.N3.O2.F1.P1.S3.		29.0	853.3335	-1.0 mmu 
C33.H53.N15.O3.F1.P1.S3.		22.0	853.3340	-1.5 mmu 
C32.H57.N11.O7.F1.P1.S3.		17.0	853.3326	-0.1 mmu 
C31.H61.N7.O11.F1.P1.S3.		12.0	853.3313	+1.2 mmu 
C35.H65.N1.O13.F1.P1.S3.		11.0	853.3340	-1.5 mmu 
C41.H54.N9.O1.F2.P1.S3.		26.0	853.3319	+0.6 mmu 
C26.H50.N21.O2.F2.P1.S3.		19.0	853.3324	+0.1 mmu 
C25.H54.N17.O6.F2.P1.S3.		14.0	853.3311	+1.4 mmu 
C29.H58.N11.O8.F2.P1.S3.		13.0	853.3338	-1.3 mmu 
C28.H62.N7.O12.F2.P1.S3.		8.0	853.3324	+0.1 mmu 
C27.H66.N3.O16.F2.P1.S3.		3.0	853.3311	+1.4 mmu 
C38.H55.N9.O2.F3.P1.S3.		22.0	853.3331	-0.6 mmu 
C23.H51.N21.O3.F3.P1.S3.		15.0	853.3336	-1.1 mmu 
C37.H59.N5.O6.F3.P1.S3.		17.0	853.3317	+0.8 mmu 
C22.H55.N17.O7.F3.P1.S3.		10.0	853.3322	+0.3 mmu 
C21.H59.N13.O11.F3.P1.S3.		5.0	853.3309	+1.6 mmu 
C25.H63.N7.O13.F3.P1.S3.		4.0	853.3336	-1.1 mmu 
C46.H56.N3.F4.P1.S3.		26.0	853.3310	+1.5 mmu 
C31.H52.N15.O1.F4.P1.S3.		19.0	853.3315	+1.0 mmu 
C35.H56.N9.O3.F4.P1.S3.		18.0	853.3342	-1.7 mmu 
C34.H60.N5.O7.F4.P1.S3.		13.0	853.3329	-0.4 mmu 
C19.H56.N17.O8.F4.P1.S3.		6.0	853.3334	-0.9 mmu 
C33.H64.N1.O11.F4.P1.S3.		8.0	853.3315	+1.0 mmu 
C43.H57.N3.O1.F5.P1.S3.		22.0	853.3322	+0.3 mmu 
C28.H53.N15.O2.F5.P1.S3.		15.0	853.3327	-0.2 mmu 
C27.H57.N11.O6.F5.P1.S3.		10.0	853.3313	+1.2 mmu 
C31.H61.N5.O8.F5.P1.S3.		9.0	853.3340	-1.5 mmu 
C30.H65.N1.O12.F5.P1.S3.		4.0	853.3327	-0.2 mmu 
C21.H50.N21.O1.F6.P1.S3.		12.0	853.3311	+1.4 mmu 
C40.H58.N3.O2.F6.P1.S3.		18.0	853.3333	-0.8 mmu 
C25.H54.N15.O3.F6.P1.S3.		11.0	853.3338	-1.3 mmu 
C24.H58.N11.O7.F6.P1.S3.		6.0	853.3325	+0.0 mmu 
C23.H62.N7.O11.F6.P1.S3.		1.0	853.3311	+1.4 mmu 
C27.H66.N1.O13.F6.P1.S3.		0.0	853.3338	-1.3 mmu 
C33.H55.N9.O1.F7.P1.S3.		15.0	853.3318	+0.7 mmu 
C18.H51.N21.O2.F7.P1.S3.		8.0	853.3323	+0.2 mmu 
C21.H59.N11.O8.F7.P1.S3.		2.0	853.3336	-1.1 mmu 
C30.H56.N9.O2.F8.P1.S3.		11.0	853.3329	-0.4 mmu 
C29.H60.N5.O6.F8.P1.S3.		6.0	853.3316	+0.9 mmu 
C38.H57.N3.F9.P1.S3.		15.0	853.3309	+1.6 mmu 
C23.H53.N15.O1.F9.P1.S3.		8.0	853.3314	+1.1 mmu 
C27.H57.N9.O3.F9.P1.S3.		7.0	853.3340	-1.5 mmu 
C26.H61.N5.O7.F9.P1.S3.		2.0	853.3327	-0.2 mmu 
C35.H58.N3.O1.F10.P1.S3.		11.0	853.3320	+0.5 mmu 
C20.H54.N15.O2.F10.P1.S3.		4.0	853.3325	+0.0 mmu 
C32.H59.N3.O2.F11.P1.S3.		7.0	853.3331	-0.6 mmu 
C25.H56.N9.O1.F12.P1.S3.		4.0	853.3316	+0.9 mmu 
C45.H57.N7.P2.S3.		30.0	853.3313	+1.2 mmu 
C30.H53.N19.O1.P2.S3.		23.0	853.3318	+0.7 mmu 
C49.H61.N1.O2.P2.S3.		29.0	853.3340	-1.5 mmu 
C33.H61.N9.O7.P2.S3.		17.0	853.3331	-0.6 mmu 
C32.H65.N5.O11.P2.S3.		12.0	853.3318	+0.7 mmu 
C42.H58.N7.O1.F1.P2.S3.		26.0	853.3324	+0.1 mmu 
C27.H54.N19.O2.F1.P2.S3.		19.0	853.3329	-0.4 mmu 
C41.H62.N3.O5.F1.P2.S3.		21.0	853.3311	+1.4 mmu 
C26.H58.N15.O6.F1.P2.S3.		14.0	853.3316	+0.9 mmu 
C29.H66.N5.O12.F1.P2.S3.		8.0	853.3329	-0.4 mmu 
C28.H70.N1.O16.F1.P2.S3.		3.0	853.3316	+0.9 mmu 
C35.H55.N13.F2.P2.S3.		23.0	853.3309	+1.6 mmu 
C20.H51.N25.O1.F2.P2.S3.		16.0	853.3314	+1.1 mmu 
C39.H59.N7.O2.F2.P2.S3.		22.0	853.3336	-1.1 mmu 
C24.H55.N19.O3.F2.P2.S3.		15.0	853.3341	-1.6 mmu 
C38.H63.N3.O6.F2.P2.S3.		17.0	853.3322	+0.3 mmu 
C23.H59.N15.O7.F2.P2.S3.		10.0	853.3327	-0.2 mmu 
C22.H63.N11.O11.F2.P2.S3.		5.0	853.3314	+1.1 mmu 
C26.H67.N5.O13.F2.P2.S3.		4.0	853.3341	-1.6 mmu 
C47.H60.N1.F3.P2.S3.		26.0	853.3315	+1.0 mmu 
C32.H56.N13.O1.F3.P2.S3.		19.0	853.3320	+0.5 mmu 
C35.H64.N3.O7.F3.P2.S3.		13.0	853.3334	-0.9 mmu 
C20.H60.N15.O8.F3.P2.S3.		6.0	853.3339	-1.4 mmu 
C44.H61.N1.O1.F4.P2.S3.		22.0	853.3327	-0.2 mmu 
C29.H57.N13.O2.F4.P2.S3.		15.0	853.3332	-0.7 mmu 
C28.H61.N9.O6.F4.P2.S3.		10.0	853.3318	+0.7 mmu 
C37.H58.N7.F5.P2.S3.		19.0	853.3311	+1.4 mmu 
C22.H54.N19.O1.F5.P2.S3.		12.0	853.3316	+0.9 mmu 
C41.H62.N1.O2.F5.P2.S3.		18.0	853.3338	-1.3 mmu 
C25.H62.N9.O7.F5.P2.S3.		6.0	853.3330	-0.5 mmu 
C24.H66.N5.O11.F5.P2.S3.		1.0	853.3316	+0.9 mmu 
C34.H59.N7.O1.F6.P2.S3.		15.0	853.3323	+0.2 mmu 
C19.H55.N19.O2.F6.P2.S3.		8.0	853.3328	-0.3 mmu 
C33.H63.N3.O5.F6.P2.S3.		10.0	853.3309	+1.6 mmu 
C22.H63.N9.O8.F6.P2.S3.		2.0	853.3341	-1.6 mmu 
C31.H60.N7.O2.F7.P2.S3.		11.0	853.3334	-0.9 mmu 
C30.H64.N3.O6.F7.P2.S3.		6.0	853.3321	+0.4 mmu 
C39.H61.N1.F8.P2.S3.		15.0	853.3314	+1.1 mmu 
C24.H57.N13.O1.F8.P2.S3.		8.0	853.3319	+0.6 mmu 
C27.H65.N3.O7.F8.P2.S3.		2.0	853.3332	-0.7 mmu 
C36.H62.N1.O1.F9.P2.S3.		11.0	853.3325	-0.0 mmu 
C21.H58.N13.O2.F9.P2.S3.		4.0	853.3330	-0.5 mmu 
C29.H59.N7.F10.P2.S3.		8.0	853.3310	+1.5 mmu 
C33.H63.N1.O2.F10.P2.S3.		7.0	853.3336	-1.1 mmu 
C26.H60.N7.O1.F11.P2.S3.		4.0	853.3321	+0.4 mmu 
C23.H61.N7.O2.F12.P2.S3.		0.0	853.3332	-0.7 mmu 
C43.H62.N5.O1.P3.S3.		26.0	853.3329	-0.4 mmu 
C28.H58.N17.O2.P3.S3.		19.0	853.3334	-0.9 mmu 
C42.H66.N1.O5.P3.S3.		21.0	853.3316	+0.9 mmu 
C27.H62.N13.O6.P3.S3.		14.0	853.3321	+0.4 mmu 
C30.H70.N3.O12.P3.S3.		8.0	853.3334	-0.9 mmu 
C36.H59.N11.F1.P3.S3.		23.0	853.3314	+1.1 mmu 
C21.H55.N23.O1.F1.P3.S3.		16.0	853.3319	+0.6 mmu 
C40.H63.N5.O2.F1.P3.S3.		22.0	853.3341	-1.6 mmu 
C39.H67.N1.O6.F1.P3.S3.		17.0	853.3327	-0.2 mmu 
C24.H63.N13.O7.F1.P3.S3.		10.0	853.3332	-0.7 mmu 
C23.H67.N9.O11.F1.P3.S3.		5.0	853.3319	+0.6 mmu 
C33.H60.N11.O1.F2.P3.S3.		19.0	853.3325	-0.0 mmu 
C32.H64.N7.O5.F2.P3.S3.		14.0	853.3312	+1.3 mmu 
C36.H68.N1.O7.F2.P3.S3.		13.0	853.3339	-1.4 mmu 
C26.H57.N17.F3.P3.S3.		16.0	853.3310	+1.5 mmu 
C30.H61.N11.O2.F3.P3.S3.		15.0	853.3337	-1.2 mmu 
C29.H65.N7.O6.F3.P3.S3.		10.0	853.3323	+0.2 mmu 
C28.H69.N3.O10.F3.P3.S3.		5.0	853.3310	+1.5 mmu 
C38.H62.N5.F4.P3.S3.		19.0	853.3316	+0.9 mmu 
C23.H58.N17.O1.F4.P3.S3.		12.0	853.3321	+0.4 mmu 
C22.H62.N13.O5.F4.P3.S3.		7.0	853.3308	+1.7 mmu 
C26.H66.N7.O7.F4.P3.S3.		6.0	853.3335	-1.0 mmu 
C25.H70.N3.O11.F4.P3.S3.		1.0	853.3321	+0.4 mmu 
C35.H63.N5.O1.F5.P3.S3.		15.0	853.3328	-0.3 mmu 
C20.H59.N17.O2.F5.P3.S3.		8.0	853.3333	-0.8 mmu 
C34.H67.N1.O5.F5.P3.S3.		10.0	853.3314	+1.1 mmu 
C28.H60.N11.F6.P3.S3.		12.0	853.3312	+1.3 mmu 
C32.H64.N5.O2.F6.P3.S3.		11.0	853.3339	-1.4 mmu 
C31.H68.N1.O6.F6.P3.S3.		6.0	853.3326	-0.1 mmu 
C25.H61.N11.O1.F7.P3.S3.		8.0	853.3324	+0.1 mmu 
C24.H65.N7.O5.F7.P3.S3.		3.0	853.3310	+1.5 mmu 
C28.H69.N1.O7.F7.P3.S3.		2.0	853.3337	-1.2 mmu 
C22.H62.N11.O2.F8.P3.S3.		4.0	853.3335	-1.0 mmu 
C30.H63.N5.F9.P3.S3.		8.0	853.3315	+1.0 mmu 
C27.H64.N5.O1.F10.P3.S3.		4.0	853.3326	-0.1 mmu 
C24.H65.N5.O2.F11.P3.S3.		0.0	853.3338	-1.3 mmu 
C37.H63.N9.P4.S3.		23.0	853.3319	+0.6 mmu 
C22.H59.N21.O1.P4.S3.		16.0	853.3324	+0.1 mmu 
C21.H63.N17.O5.P4.S3.		11.0	853.3311	+1.4 mmu 
C25.H67.N11.O7.P4.S3.		10.0	853.3338	-1.3 mmu 
C24.H71.N7.O11.P4.S3.		5.0	853.3324	+0.1 mmu 
C34.H64.N9.O1.F1.P4.S3.		19.0	853.3330	-0.5 mmu 
C33.H68.N5.O5.F1.P4.S3.		14.0	853.3317	+0.8 mmu 
C27.H61.N15.F2.P4.S3.		16.0	853.3315	+1.0 mmu 
C31.H65.N9.O2.F2.P4.S3.		15.0	853.3342	-1.7 mmu 
C30.H69.N5.O6.F2.P4.S3.		10.0	853.3328	-0.3 mmu 
C29.H73.N1.O10.F2.P4.S3.		5.0	853.3315	+1.0 mmu 
C39.H66.N3.F3.P4.S3.		19.0	853.3321	+0.4 mmu 
C24.H62.N15.O1.F3.P4.S3.		12.0	853.3326	-0.1 mmu 
C23.H66.N11.O5.F3.P4.S3.		7.0	853.3313	+1.2 mmu 
C27.H70.N5.O7.F3.P4.S3.		6.0	853.3340	-1.5 mmu 
C26.H74.N1.O11.F3.P4.S3.		1.0	853.3327	-0.2 mmu 
C36.H67.N3.O1.F4.P4.S3.		15.0	853.3333	-0.8 mmu 
C21.H63.N15.O2.F4.P4.S3.		8.0	853.3338	-1.3 mmu 
C29.H64.N9.F5.P4.S3.		12.0	853.3317	+0.8 mmu 
C26.H65.N9.O1.F6.P4.S3.		8.0	853.3329	-0.4 mmu 
C25.H69.N5.O5.F6.P4.S3.		3.0	853.3315	+1.0 mmu 
C23.H66.N9.O2.F7.P4.S3.		4.0	853.3340	-1.5 mmu 
C31.H67.N3.F8.P4.S3.		8.0	853.3320	+0.5 mmu 
C28.H68.N3.O1.F9.P4.S3.		4.0	853.3331	-0.6 mmu 
C35.H68.N7.O1.P5.S3.		19.0	853.3336	-1.1 mmu 
C34.H72.N3.O5.P5.S3.		14.0	853.3322	+0.3 mmu 
C28.H65.N13.F1.P5.S3.		16.0	853.3320	+0.5 mmu 
C31.H73.N3.O6.F1.P5.S3.		10.0	853.3334	-0.9 mmu 
C40.H70.N1.F2.P5.S3.		19.0	853.3327	-0.2 mmu 
C25.H66.N13.O1.F2.P5.S3.		12.0	853.3332	-0.7 mmu 
C24.H70.N9.O5.F2.P5.S3.		7.0	853.3318	+0.7 mmu 
C37.H71.N1.O1.F3.P5.S3.		15.0	853.3338	-1.3 mmu 
C30.H68.N7.F4.P5.S3.		12.0	853.3323	+0.2 mmu 
C29.H72.N3.O4.F4.P5.S3.		7.0	853.3309	+1.6 mmu 
C27.H69.N7.O1.F5.P5.S3.		8.0	853.3334	-0.9 mmu 
C26.H73.N3.O5.F5.P5.S3.		3.0	853.3321	+0.4 mmu 
C32.H71.N1.F7.P5.S3.		8.0	853.3325	+0.0 mmu 
C29.H72.N1.O1.F8.P5.S3.		4.0	853.3336	-1.1 mmu 
C29.H69.N11.P6.S3.		16.0	853.3325	-0.0 mmu 
C28.H73.N7.O4.P6.S3.		11.0	853.3312	+1.3 mmu 
C32.H77.N1.O6.P6.S3.		10.0	853.3339	-1.4 mmu 
C26.H70.N11.O1.F1.P6.S3.		12.0	853.3337	-1.2 mmu 
C25.H74.N7.O5.F1.P6.S3.		7.0	853.3323	+0.2 mmu 
C31.H72.N5.F3.P6.S3.		12.0	853.3328	-0.3 mmu 
C30.H76.N1.O4.F3.P6.S3.		7.0	853.3314	+1.1 mmu 
C28.H73.N5.O1.F4.P6.S3.		8.0	853.3339	-1.4 mmu 
C27.H77.N1.O5.F4.P6.S3.		3.0	853.3326	-0.1 mmu 
C27.H74.N9.O1.P7.S3.		12.0	853.3342	-1.7 mmu 
C26.H78.N5.O5.P7.S3.		7.0	853.3328	-0.3 mmu 
C32.H76.N3.F2.P7.S3.		12.0	853.3333	-0.8 mmu 
C33.H80.N1.F1.P8.S3.		12.0	853.3338	-1.3 mmu 
C50.H55.N5.S4.		34.0	853.3340	-1.5 mmu 
C49.H59.N1.O4.S4.		29.0	853.3327	-0.2 mmu 
C34.H55.N13.O5.S4.		22.0	853.3332	-0.7 mmu 
C19.H51.N25.O6.S4.		15.0	853.3337	-1.2 mmu 
C33.H59.N9.O9.S4.		17.0	853.3319	+0.6 mmu 
C21.H63.N11.O16.S4.		4.0	853.3337	-1.2 mmu 
C28.H48.N23.F1.S4.		24.0	853.3330	-0.5 mmu 
C42.H56.N7.O3.F1.S4.		26.0	853.3311	+1.4 mmu 
C27.H52.N19.O4.F1.S4.		19.0	853.3317	+0.8 mmu 
C46.H60.N1.O5.F1.S4.		25.0	853.3338	-1.3 mmu 
C30.H60.N9.O10.F1.S4.		13.0	853.3330	-0.5 mmu 
C29.H64.N5.O14.F1.S4.		8.0	853.3317	+0.8 mmu 
C40.H53.N11.F2.S4.		27.0	853.3336	-1.1 mmu 
C25.H49.N23.O1.F2.S4.		20.0	853.3341	-1.6 mmu 
C39.H57.N7.O4.F2.S4.		22.0	853.3323	+0.2 mmu 
C24.H53.N19.O5.F2.S4.		15.0	853.3328	-0.3 mmu 
C38.H61.N3.O8.F2.S4.		17.0	853.3310	+1.5 mmu 
C23.H57.N15.O9.F2.S4.		10.0	853.3315	+1.0 mmu 
C27.H61.N9.O11.F2.S4.		9.0	853.3341	-1.6 mmu 
C26.H65.N5.O15.F2.S4.		4.0	853.3328	-0.3 mmu 
C17.H50.N25.O4.F3.S4.		12.0	853.3313	+1.2 mmu 
C36.H58.N7.O5.F3.S4.		18.0	853.3334	-0.9 mmu 
C21.H54.N19.O6.F3.S4.		11.0	853.3339	-1.4 mmu 
C35.H62.N3.O9.F3.S4.		13.0	853.3321	+0.4 mmu 
C20.H58.N15.O10.F3.S4.		6.0	853.3326	-0.1 mmu 
C23.H66.N5.O16.F3.S4.		0.0	853.3339	-1.4 mmu 
C30.H51.N17.F4.S4.		20.0	853.3332	-0.7 mmu 
C44.H59.N1.O3.F4.S4.		22.0	853.3314	+1.1 mmu 
C29.H55.N13.O4.F4.S4.		15.0	853.3319	+0.6 mmu 
C32.H63.N3.O10.F4.S4.		9.0	853.3332	-0.7 mmu 
C42.H56.N5.F5.S4.		23.0	853.3339	-1.4 mmu 
C41.H60.N1.O4.F5.S4.		18.0	853.3325	-0.0 mmu 
C26.H56.N13.O5.F5.S4.		11.0	853.3330	-0.5 mmu 
C25.H60.N9.O9.F5.S4.		6.0	853.3317	+0.8 mmu 
C20.H49.N23.F6.S4.		13.0	853.3328	-0.3 mmu 
C34.H57.N7.O3.F6.S4.		15.0	853.3310	+1.5 mmu 
C19.H53.N19.O4.F6.S4.		8.0	853.3315	+1.0 mmu 
C38.H61.N1.O5.F6.S4.		14.0	853.3337	-1.2 mmu 
C23.H57.N13.O6.F6.S4.		7.0	853.3342	-1.7 mmu 
C22.H61.N9.O10.F6.S4.		2.0	853.3328	-0.3 mmu 
C32.H54.N11.F7.S4.		16.0	853.3335	-1.0 mmu 
C17.H50.N23.O1.F7.S4.		9.0	853.3340	-1.5 mmu 
C31.H58.N7.O4.F7.S4.		11.0	853.3321	+0.4 mmu 
C30.H62.N3.O8.F7.S4.		6.0	853.3308	+1.7 mmu 
C28.H59.N7.O5.F8.S4.		7.0	853.3333	-0.8 mmu 
C27.H63.N3.O9.F8.S4.		2.0	853.3319	+0.6 mmu 
C22.H52.N17.F9.S4.		9.0	853.3331	-0.6 mmu 
C36.H60.N1.O3.F9.S4.		11.0	853.3312	+1.3 mmu 
C21.H56.N13.O4.F9.S4.		4.0	853.3317	+0.8 mmu 
C34.H57.N5.F10.S4.		12.0	853.3337	-1.2 mmu 
C33.H61.N1.O4.F10.S4.		7.0	853.3324	+0.1 mmu 
C26.H58.N7.O3.F11.S4.		4.0	853.3308	+1.7 mmu 
C30.H62.N1.O5.F11.S4.		3.0	853.3335	-1.0 mmu 
C24.H55.N11.F12.S4.		5.0	853.3333	-0.8 mmu 
C23.H59.N7.O4.F12.S4.		0.0	853.3320	+0.5 mmu 
C29.H52.N21.P1.S4.		24.0	853.3335	-1.0 mmu 
C43.H60.N5.O3.P1.S4.		26.0	853.3317	+0.8 mmu 
C28.H56.N17.O4.P1.S4.		19.0	853.3322	+0.3 mmu 
C27.H60.N13.O8.P1.S4.		14.0	853.3308	+1.7 mmu 
C31.H64.N7.O10.P1.S4.		13.0	853.3335	-1.0 mmu 
C30.H68.N3.O14.P1.S4.		8.0	853.3322	+0.3 mmu 
C41.H57.N9.F1.P1.S4.		27.0	853.3341	-1.6 mmu 
C40.H61.N5.O4.F1.P1.S4.		22.0	853.3328	-0.3 mmu 
C25.H57.N17.O5.F1.P1.S4.		15.0	853.3333	-0.8 mmu 
C39.H65.N1.O8.F1.P1.S4.		17.0	853.3315	+1.0 mmu 
C24.H61.N13.O9.F1.P1.S4.		10.0	853.3320	+0.5 mmu 
C27.H69.N3.O15.F1.P1.S4.		4.0	853.3333	-0.8 mmu 
C33.H58.N11.O3.F2.P1.S4.		19.0	853.3313	+1.2 mmu 
C18.H54.N23.O4.F2.P1.S4.		12.0	853.3318	+0.7 mmu 
C37.H62.N5.O5.F2.P1.S4.		18.0	853.3339	-1.4 mmu 
C36.H66.N1.O9.F2.P1.S4.		13.0	853.3326	-0.1 mmu 
C21.H62.N13.O10.F2.P1.S4.		6.0	853.3331	-0.6 mmu 
C31.H55.N15.F3.P1.S4.		20.0	853.3337	-1.2 mmu 
C30.H59.N11.O4.F3.P1.S4.		15.0	853.3324	+0.1 mmu 
C29.H63.N7.O8.F3.P1.S4.		10.0	853.3311	+1.4 mmu 
C33.H67.N1.O10.F3.P1.S4.		9.0	853.3338	-1.3 mmu 
C23.H56.N17.O3.F4.P1.S4.		12.0	853.3309	+1.6 mmu 
C27.H60.N11.O5.F4.P1.S4.		11.0	853.3335	-1.0 mmu 
C26.H64.N7.O9.F4.P1.S4.		6.0	853.3322	+0.3 mmu 
C25.H68.N3.O13.F4.P1.S4.		1.0	853.3309	+1.6 mmu 
C21.H53.N21.F5.P1.S4.		13.0	853.3333	-0.8 mmu 
C35.H61.N5.O3.F5.P1.S4.		15.0	853.3315	+1.0 mmu 
C20.H57.N17.O4.F5.P1.S4.		8.0	853.3320	+0.5 mmu 
C23.H65.N7.O10.F5.P1.S4.		2.0	853.3334	-0.9 mmu 
C33.H58.N9.F6.P1.S4.		16.0	853.3340	-1.5 mmu 
C32.H62.N5.O4.F6.P1.S4.		11.0	853.3326	-0.1 mmu 
C31.H66.N1.O8.F6.P1.S4.		6.0	853.3313	+1.2 mmu 
C25.H59.N11.O3.F7.P1.S4.		8.0	853.3311	+1.4 mmu 
C29.H63.N5.O5.F7.P1.S4.		7.0	853.3338	-1.3 mmu 
C28.H67.N1.O9.F7.P1.S4.		2.0	853.3324	+0.1 mmu 
C23.H56.N15.F8.P1.S4.		9.0	853.3336	-1.1 mmu 
C22.H60.N11.O4.F8.P1.S4.		4.0	853.3322	+0.3 mmu 
C27.H62.N5.O3.F10.P1.S4.		4.0	853.3313	+1.2 mmu 
C25.H59.N9.F11.P1.S4.		5.0	853.3338	-1.3 mmu 
C24.H63.N5.O4.F11.P1.S4.		0.0	853.3325	+0.0 mmu 
C22.H57.N21.O3.P2.S4.		16.0	853.3311	+1.4 mmu 
C41.H65.N3.O4.P2.S4.		22.0	853.3333	-0.8 mmu 
C26.H61.N15.O5.P2.S4.		15.0	853.3338	-1.3 mmu 
C25.H65.N11.O9.P2.S4.		10.0	853.3325	+0.0 mmu 
C24.H69.N7.O13.P2.S4.		5.0	853.3311	+1.4 mmu 
C28.H73.N1.O15.P2.S4.		4.0	853.3338	-1.3 mmu 
C20.H54.N25.F1.P2.S4.		17.0	853.3336	-1.1 mmu 
C34.H62.N9.O3.F1.P2.S4.		19.0	853.3318	+0.7 mmu 
C22.H66.N11.O10.F1.P2.S4.		6.0	853.3336	-1.1 mmu 
C31.H63.N9.O4.F2.P2.S4.		15.0	853.3329	-0.4 mmu 
C30.H67.N5.O8.F2.P2.S4.		10.0	853.3316	+0.9 mmu 
C39.H64.N3.O2.F3.P2.S4.		19.0	853.3309	+1.6 mmu 
C24.H60.N15.O3.F3.P2.S4.		12.0	853.3314	+1.1 mmu 
C28.H64.N9.O5.F3.P2.S4.		11.0	853.3341	-1.6 mmu 
C27.H68.N5.O9.F3.P2.S4.		6.0	853.3327	-0.2 mmu 
C26.H72.N1.O13.F3.P2.S4.		1.0	853.3314	+1.1 mmu 
C22.H57.N19.F4.P2.S4.		13.0	853.3339	-1.4 mmu 
C36.H65.N3.O3.F4.P2.S4.		15.0	853.3320	+0.5 mmu 
C21.H61.N15.O4.F4.P2.S4.		8.0	853.3325	-0.0 mmu 
C24.H69.N5.O10.F4.P2.S4.		2.0	853.3339	-1.4 mmu 
C33.H66.N3.O4.F5.P2.S4.		11.0	853.3332	-0.7 mmu 
C26.H63.N9.O3.F6.P2.S4.		8.0	853.3316	+0.9 mmu 
C24.H60.N13.F7.P2.S4.		9.0	853.3341	-1.6 mmu 
C23.H64.N9.O4.F7.P2.S4.		4.0	853.3328	-0.3 mmu 
C28.H66.N3.O3.F9.P2.S4.		4.0	853.3319	+0.6 mmu 
C25.H67.N3.O4.F10.P2.S4.		0.0	853.3330	-0.5 mmu 
C21.H58.N23.P3.S4.		17.0	853.3341	-1.6 mmu 
C35.H66.N7.O3.P3.S4.		19.0	853.3323	+0.2 mmu 
C34.H70.N3.O7.P3.S4.		14.0	853.3309	+1.6 mmu 
C32.H67.N7.O4.F1.P3.S4.		15.0	853.3334	-0.9 mmu 
C31.H71.N3.O8.F1.P3.S4.		10.0	853.3321	+0.4 mmu 
C40.H68.N1.O2.F2.P3.S4.		19.0	853.3314	+1.1 mmu 
C25.H64.N13.O3.F2.P3.S4.		12.0	853.3319	+0.6 mmu 
C28.H72.N3.O9.F2.P3.S4.		6.0	853.3332	-0.7 mmu 
C37.H69.N1.O3.F3.P3.S4.		15.0	853.3325	-0.0 mmu 
C22.H65.N13.O4.F3.P3.S4.		8.0	853.3330	-0.5 mmu 
C30.H66.N7.O2.F4.P3.S4.		12.0	853.3310	+1.5 mmu 
C34.H70.N1.O4.F4.P3.S4.		11.0	853.3337	-1.2 mmu 
C27.H67.N7.O3.F5.P3.S4.		8.0	853.3321	+0.4 mmu 
C24.H68.N7.O4.F6.P3.S4.		4.0	853.3333	-0.8 mmu 
C32.H69.N1.O2.F7.P3.S4.		8.0	853.3312	+1.3 mmu 
C29.H70.N1.O3.F8.P3.S4.		4.0	853.3324	+0.1 mmu 
C26.H71.N1.O4.F9.P3.S4.		0.0	853.3335	-1.0 mmu 
C32.H75.N1.O8.P4.S4.		10.0	853.3326	-0.1 mmu 
C29.H76.N1.O9.F1.P4.S4.		6.0	853.3337	-1.2 mmu 
C27.H75.N1.O7.F4.P4.S4.		3.0	853.3313	+1.2 mmu 
C35.H73.N3.O1.F1.P5.S4.		16.0	853.3309	+1.6 mmu 
C32.H74.N3.O2.F2.P5.S4.		12.0	853.3320	+0.5 mmu 
C29.H75.N3.O3.F3.P5.S4.		8.0	853.3331	-0.6 mmu 
C36.H77.N1.O1.P6.S4.		16.0	853.3314	+1.1 mmu 
C33.H78.N1.O2.F1.P6.S4.		12.0	853.3325	-0.0 mmu 
C30.H79.N1.O3.F2.P6.S4.		8.0	853.3337	-1.2 mmu 
C28.H78.N1.O1.F5.P6.S4.		5.0	853.3312	+1.3 mmu 
C28.H83.N3.O1.P8.S4.		9.0	853.3320	+0.5 mmu 
C23.H51.N25.O1.S5.		21.0	853.3312	+1.3 mmu 
C42.H59.N7.O2.S5.		27.0	853.3334	-0.9 mmu 
C27.H55.N19.O3.S5.		20.0	853.3339	-1.4 mmu 
C41.H63.N3.O6.S5.		22.0	853.3320	+0.5 mmu 
C26.H59.N15.O7.S5.		15.0	853.3325	-0.0 mmu 
C25.H63.N11.O11.S5.		10.0	853.3312	+1.3 mmu 
C29.H67.N5.O13.S5.		9.0	853.3339	-1.4 mmu 
C28.H71.N1.O17.S5.		4.0	853.3326	-0.1 mmu 
C50.H60.N1.F1.S5.		31.0	853.3313	+1.2 mmu 
C35.H56.N13.O1.F1.S5.		24.0	853.3318	+0.7 mmu 
C20.H52.N25.O2.F1.S5.		17.0	853.3323	+0.2 mmu 
C19.H56.N21.O6.F1.S5.		12.0	853.3310	+1.5 mmu 
C38.H64.N3.O7.F1.S5.		18.0	853.3332	-0.7 mmu 
C23.H60.N15.O8.F1.S5.		11.0	853.3337	-1.2 mmu 
C22.H64.N11.O12.F1.S5.		6.0	853.3323	+0.2 mmu 
C25.H72.N1.O18.F1.S5.		0.0	853.3337	-1.2 mmu 
C47.H61.N1.O1.F2.S5.		27.0	853.3325	+0.0 mmu 
C32.H57.N13.O2.F2.S5.		20.0	853.3330	-0.5 mmu 
C31.H61.N9.O6.F2.S5.		15.0	853.3316	+0.9 mmu 
C40.H58.N7.F3.S5.		24.0	853.3309	+1.6 mmu 
C25.H54.N19.O1.F3.S5.		17.0	853.3314	+1.1 mmu 
C44.H62.N1.O2.F3.S5.		23.0	853.3336	-1.1 mmu 
C29.H58.N13.O3.F3.S5.		16.0	853.3341	-1.6 mmu 
C28.H62.N9.O7.F3.S5.		11.0	853.3328	-0.3 mmu 
C27.H66.N5.O11.F3.S5.		6.0	853.3314	+1.1 mmu 
C37.H59.N7.O1.F4.S5.		20.0	853.3321	+0.4 mmu 
C22.H55.N19.O2.F4.S5.		13.0	853.3326	-0.1 mmu 
C21.H59.N15.O6.F4.S5.		8.0	853.3312	+1.3 mmu 
C25.H63.N9.O8.F4.S5.		7.0	853.3339	-1.4 mmu 
C24.H67.N5.O12.F4.S5.		2.0	853.3326	-0.1 mmu 
C34.H60.N7.O2.F5.S5.		16.0	853.3332	-0.7 mmu 
C19.H56.N19.O3.F5.S5.		9.0	853.3337	-1.2 mmu 
C33.H64.N3.O6.F5.S5.		11.0	853.3319	+0.6 mmu 
C42.H61.N1.F6.S5.		20.0	853.3312	+1.3 mmu 
C27.H57.N13.O1.F6.S5.		13.0	853.3317	+0.8 mmu 
C30.H65.N3.O7.F6.S5.		7.0	853.3330	-0.5 mmu 
C39.H62.N1.O1.F7.S5.		16.0	853.3323	+0.2 mmu 
C24.H58.N13.O2.F7.S5.		9.0	853.3328	-0.3 mmu 
C23.H62.N9.O6.F7.S5.		4.0	853.3315	+1.0 mmu 
C27.H66.N3.O8.F7.S5.		3.0	853.3342	-1.7 mmu 
C36.H63.N1.O2.F8.S5.		12.0	853.3335	-1.0 mmu 
C21.H59.N13.O3.F8.S5.		5.0	853.3340	-1.5 mmu 
C29.H60.N7.O1.F9.S5.		9.0	853.3319	+0.6 mmu 
C26.H61.N7.O2.F10.S5.		5.0	853.3331	-0.6 mmu 
C25.H65.N3.O6.F10.S5.		0.0	853.3317	+0.8 mmu 
C34.H62.N1.F11.S5.		9.0	853.3310	+1.5 mmu 
C23.H62.N7.O3.F11.S5.		1.0	853.3342	-1.7 mmu 
C31.H63.N1.O1.F12.S5.		5.0	853.3322	+0.3 mmu 
C36.H60.N11.O1.P1.S5.		24.0	853.3323	+0.2 mmu 
C21.H56.N23.O2.P1.S5.		17.0	853.3328	-0.3 mmu 
C35.H64.N7.O5.P1.S5.		19.0	853.3310	+1.5 mmu 
C20.H60.N19.O6.P1.S5.		12.0	853.3315	+1.0 mmu 
C39.H68.N1.O7.P1.S5.		18.0	853.3337	-1.2 mmu 
C24.H64.N13.O8.P1.S5.		11.0	853.3342	-1.7 mmu 
C23.H68.N9.O12.P1.S5.		6.0	853.3329	-0.4 mmu 
C29.H57.N17.F1.P1.S5.		21.0	853.3308	+1.7 mmu 
C33.H61.N11.O2.F1.P1.S5.		20.0	853.3335	-1.0 mmu 
C32.H65.N7.O6.F1.P1.S5.		15.0	853.3322	+0.3 mmu 
C31.H69.N3.O10.F1.P1.S5.		10.0	853.3308	+1.7 mmu 
C41.H62.N5.F2.P1.S5.		24.0	853.3314	+1.1 mmu 
C26.H58.N17.O1.F2.P1.S5.		17.0	853.3319	+0.6 mmu 
C29.H66.N7.O7.F2.P1.S5.		11.0	853.3333	-0.8 mmu 
C28.H70.N3.O11.F2.P1.S5.		6.0	853.3320	+0.5 mmu 
C38.H63.N5.O1.F3.P1.S5.		20.0	853.3326	-0.1 mmu 
C23.H59.N17.O2.F3.P1.S5.		13.0	853.3331	-0.6 mmu 
C37.H67.N1.O5.F3.P1.S5.		15.0	853.3312	+1.3 mmu 
C22.H63.N13.O6.F3.P1.S5.		8.0	853.3318	+0.7 mmu 
C25.H71.N3.O12.F3.P1.S5.		2.0	853.3331	-0.6 mmu 
C31.H60.N11.F4.P1.S5.		17.0	853.3310	+1.5 mmu 
C35.H64.N5.O2.F4.P1.S5.		16.0	853.3337	-1.2 mmu 
C34.H68.N1.O6.F4.P1.S5.		11.0	853.3324	+0.1 mmu 
C28.H61.N11.O1.F5.P1.S5.		13.0	853.3322	+0.3 mmu 
C27.H65.N7.O5.F5.P1.S5.		8.0	853.3308	+1.7 mmu 
C31.H69.N1.O7.F5.P1.S5.		7.0	853.3335	-1.0 mmu 
C25.H62.N11.O2.F6.P1.S5.		9.0	853.3333	-0.8 mmu 
C24.H66.N7.O6.F6.P1.S5.		4.0	853.3320	+0.5 mmu 
C33.H63.N5.F7.P1.S5.		13.0	853.3313	+1.2 mmu 
C30.H64.N5.O1.F8.P1.S5.		9.0	853.3324	+0.1 mmu 
C29.H68.N1.O5.F8.P1.S5.		4.0	853.3311	+1.4 mmu 
C23.H61.N11.F9.P1.S5.		6.0	853.3309	+1.6 mmu 
C27.H65.N5.O2.F9.P1.S5.		5.0	853.3336	-1.1 mmu 
C26.H69.N1.O6.F9.P1.S5.		0.0	853.3322	+0.3 mmu 
C25.H64.N5.F12.P1.S5.		2.0	853.3311	+1.4 mmu 
C30.H61.N15.P2.S5.		21.0	853.3313	+1.2 mmu 
C34.H65.N9.O2.P2.S5.		20.0	853.3340	-1.5 mmu 
C33.H69.N5.O6.P2.S5.		15.0	853.3327	-0.2 mmu 
C32.H73.N1.O10.P2.S5.		10.0	853.3313	+1.2 mmu 
C42.H66.N3.F1.P2.S5.		24.0	853.3320	+0.5 mmu 
C27.H62.N15.O1.F1.P2.S5.		17.0	853.3325	+0.0 mmu 
C26.H66.N11.O5.F1.P2.S5.		12.0	853.3311	+1.4 mmu 
C30.H70.N5.O7.F1.P2.S5.		11.0	853.3338	-1.3 mmu 
C29.H74.N1.O11.F1.P2.S5.		6.0	853.3325	+0.0 mmu 
C20.H59.N21.F2.P2.S5.		14.0	853.3309	+1.6 mmu 
C39.H67.N3.O1.F2.P2.S5.		20.0	853.3331	-0.6 mmu 
C24.H63.N15.O2.F2.P2.S5.		13.0	853.3336	-1.1 mmu 
C23.H67.N11.O6.F2.P2.S5.		8.0	853.3323	+0.2 mmu 
C26.H75.N1.O12.F2.P2.S5.		2.0	853.3336	-1.1 mmu 
C32.H64.N9.F3.P2.S5.		17.0	853.3316	+0.9 mmu 
C29.H65.N9.O1.F4.P2.S5.		13.0	853.3327	-0.2 mmu 
C28.H69.N5.O5.F4.P2.S5.		8.0	853.3314	+1.1 mmu 
C22.H62.N15.F5.P2.S5.		10.0	853.3312	+1.3 mmu 
C26.H66.N9.O2.F5.P2.S5.		9.0	853.3338	-1.3 mmu 
C25.H70.N5.O6.F5.P2.S5.		4.0	853.3325	-0.0 mmu 
C34.H67.N3.F6.P2.S5.		13.0	853.3318	+0.7 mmu 
C31.H68.N3.O1.F7.P2.S5.		9.0	853.3329	-0.4 mmu 
C24.H65.N9.F8.P2.S5.		6.0	853.3314	+1.1 mmu 
C28.H69.N3.O2.F8.P2.S5.		5.0	853.3341	-1.6 mmu 
C26.H68.N3.F11.P2.S5.		2.0	853.3316	+0.9 mmu 
C43.H70.N1.P3.S5.		24.0	853.3325	+0.0 mmu 
C28.H66.N13.O1.P3.S5.		17.0	853.3330	-0.5 mmu 
C27.H70.N9.O5.P3.S5.		12.0	853.3316	+0.9 mmu 
C21.H63.N19.F1.P3.S5.		14.0	853.3314	+1.1 mmu 
C40.H71.N1.O1.F1.P3.S5.		20.0	853.3336	-1.1 mmu 
C25.H67.N13.O2.F1.P3.S5.		13.0	853.3341	-1.6 mmu 
C24.H71.N9.O6.F1.P3.S5.		8.0	853.3328	-0.3 mmu 
C33.H68.N7.F2.P3.S5.		17.0	853.3321	+0.4 mmu 
C30.H69.N7.O1.F3.P3.S5.		13.0	853.3332	-0.7 mmu 
C29.H73.N3.O5.F3.P3.S5.		8.0	853.3319	+0.6 mmu 
C23.H66.N13.F4.P3.S5.		10.0	853.3317	+0.8 mmu 
C26.H74.N3.O6.F4.P3.S5.		4.0	853.3330	-0.5 mmu 
C35.H71.N1.F5.P3.S5.		13.0	853.3323	+0.2 mmu 
C32.H72.N1.O1.F6.P3.S5.		9.0	853.3334	-0.9 mmu 
C25.H69.N7.F7.P3.S5.		6.0	853.3319	+0.6 mmu 
C27.H72.N1.F10.P3.S5.		2.0	853.3321	+0.4 mmu 
C33.H76.N1.O4.F1.P4.S5.		12.0	853.3312	+1.3 mmu 
C30.H77.N1.O5.F2.P4.S5.		8.0	853.3324	+0.1 mmu 
C27.H78.N1.O6.F3.P4.S5.		4.0	853.3335	-1.0 mmu 
C35.H76.N3.P5.S5.		17.0	853.3331	-0.6 mmu 
C27.H77.N3.F5.P5.S5.		6.0	853.3329	-0.4 mmu 
C28.H81.N1.F4.P6.S5.		6.0	853.3334	-0.9 mmu 
C35.H59.N13.S6.		25.0	853.3341	-1.6 mmu 
C34.H63.N9.O4.S6.		20.0	853.3327	-0.2 mmu 
C33.H67.N5.O8.S6.		15.0	853.3314	+1.1 mmu 
C27.H60.N15.O3.F1.S6.		17.0	853.3312	+1.3 mmu 
C31.H64.N9.O5.F1.S6.		16.0	853.3339	-1.4 mmu 
C30.H68.N5.O9.F1.S6.		11.0	853.3325	-0.0 mmu 
C29.H72.N1.O13.F1.S6.		6.0	853.3312	+1.3 mmu 
C25.H57.N19.F2.S6.		18.0	853.3337	-1.2 mmu 
C39.H65.N3.O3.F2.S6.		20.0	853.3318	+0.7 mmu 
C24.H61.N15.O4.F2.S6.		13.0	853.3323	+0.2 mmu 
C23.H65.N11.O8.F2.S6.		8.0	853.3310	+1.5 mmu 
C27.H69.N5.O10.F2.S6.		7.0	853.3337	-1.2 mmu 
C26.H73.N1.O14.F2.S6.		2.0	853.3323	+0.2 mmu 
C36.H66.N3.O4.F3.S6.		16.0	853.3330	-0.5 mmu 
C21.H62.N15.O5.F3.S6.		9.0	853.3335	-1.0 mmu 
C29.H63.N9.O3.F4.S6.		13.0	853.3314	+1.1 mmu 
C33.H67.N3.O5.F4.S6.		12.0	853.3341	-1.6 mmu 
C27.H60.N13.F5.S6.		14.0	853.3339	-1.4 mmu 
C26.H64.N9.O4.F5.S6.		9.0	853.3326	-0.1 mmu 
C25.H68.N5.O8.F5.S6.		4.0	853.3312	+1.3 mmu 
C23.H65.N9.O5.F6.S6.		5.0	853.3337	-1.2 mmu 
C31.H66.N3.O3.F7.S6.		9.0	853.3317	+0.8 mmu 
C29.H63.N7.F8.S6.		10.0	853.3341	-1.6 mmu 
C28.H67.N3.O4.F8.S6.		5.0	853.3328	-0.3 mmu 
C25.H68.N3.O5.F9.S6.		1.0	853.3340	-1.5 mmu 
C43.H68.N1.O2.P1.S6.		24.0	853.3312	+1.3 mmu 
C28.H64.N13.O3.P1.S6.		17.0	853.3317	+0.8 mmu 
C31.H72.N3.O9.P1.S6.		11.0	853.3330	-0.5 mmu 
C26.H61.N17.F1.P1.S6.		18.0	853.3342	-1.7 mmu 
C40.H69.N1.O3.F1.P1.S6.		20.0	853.3323	+0.2 mmu 
C25.H65.N13.O4.F1.P1.S6.		13.0	853.3328	-0.3 mmu 
C24.H69.N9.O8.F1.P1.S6.		8.0	853.3315	+1.0 mmu 
C28.H73.N3.O10.F1.P1.S6.		7.0	853.3342	-1.7 mmu 
C37.H70.N1.O4.F2.P1.S6.		16.0	853.3335	-1.0 mmu 
C22.H66.N13.O5.F2.P1.S6.		9.0	853.3340	-1.5 mmu 
C30.H67.N7.O3.F3.P1.S6.		13.0	853.3319	+0.6 mmu 
C27.H68.N7.O4.F4.P1.S6.		9.0	853.3331	-0.6 mmu 
C26.H72.N3.O8.F4.P1.S6.		4.0	853.3317	+0.8 mmu 
C35.H69.N1.O2.F5.P1.S6.		13.0	853.3310	+1.5 mmu 
C32.H70.N1.O3.F6.P1.S6.		9.0	853.3322	+0.3 mmu 
C29.H71.N1.O4.F7.P1.S6.		5.0	853.3333	-0.8 mmu 
C27.H70.N1.O2.F10.P1.S6.		2.0	853.3309	+1.6 mmu 
C26.H69.N11.O4.P2.S6.		13.0	853.3333	-0.8 mmu 
C25.H73.N7.O8.P2.S6.		8.0	853.3320	+0.5 mmu 
C34.H70.N5.O2.F1.P2.S6.		17.0	853.3313	+1.2 mmu 
C31.H71.N5.O3.F2.P2.S6.		13.0	853.3324	+0.1 mmu 
C30.H75.N1.O7.F2.P2.S6.		8.0	853.3311	+1.4 mmu 
C24.H68.N11.O2.F3.P2.S6.		10.0	853.3309	+1.6 mmu 
C28.H72.N5.O4.F3.P2.S6.		9.0	853.3336	-1.1 mmu 
C27.H76.N1.O8.F3.P2.S6.		4.0	853.3323	+0.2 mmu 
C26.H71.N5.O2.F6.P2.S6.		6.0	853.3311	+1.4 mmu 
C35.H74.N3.O2.P3.S6.		17.0	853.3318	+0.7 mmu 
C32.H75.N3.O3.F1.P3.S6.		13.0	853.3330	-0.5 mmu 
C25.H72.N9.O2.F2.P3.S6.		10.0	853.3314	+1.1 mmu 
C29.H76.N3.O4.F2.P3.S6.		9.0	853.3341	-1.6 mmu 
C27.H75.N3.O2.F5.P3.S6.		6.0	853.3317	+0.8 mmu 
C33.H79.N1.O3.P4.S6.		13.0	853.3335	-1.0 mmu 
C31.H78.N1.O1.F3.P4.S6.		10.0	853.3310	+1.5 mmu 
C28.H79.N1.O2.F4.P4.S6.		6.0	853.3322	+0.3 mmu 
C42.H67.N3.O1.S7.		25.0	853.3329	-0.4 mmu 
C27.H63.N15.O2.S7.		18.0	853.3334	-0.9 mmu 
C26.H67.N11.O6.S7.		13.0	853.3321	+0.4 mmu 
C29.H75.N1.O12.S7.		7.0	853.3334	-0.9 mmu 
C35.H64.N9.F1.S7.		22.0	853.3314	+1.1 mmu 
C20.H60.N21.O1.F1.S7.		15.0	853.3319	+0.6 mmu 
C39.H68.N3.O2.F1.S7.		21.0	853.3341	-1.6 mmu 
C23.H68.N11.O7.F1.S7.		9.0	853.3332	-0.7 mmu 
C32.H65.N9.O1.F2.S7.		18.0	853.3325	-0.0 mmu 
C31.H69.N5.O5.F2.S7.		13.0	853.3312	+1.3 mmu 
C25.H62.N15.F3.S7.		15.0	853.3310	+1.5 mmu 
C29.H66.N9.O2.F3.S7.		14.0	853.3337	-1.2 mmu 
C28.H70.N5.O6.F3.S7.		9.0	853.3323	+0.2 mmu 
C27.H74.N1.O10.F3.S7.		4.0	853.3310	+1.5 mmu 
C37.H67.N3.F4.S7.		18.0	853.3316	+0.9 mmu 
C22.H63.N15.O1.F4.S7.		11.0	853.3321	+0.4 mmu 
C25.H71.N5.O7.F4.S7.		5.0	853.3335	-1.0 mmu 
C34.H68.N3.O1.F5.S7.		14.0	853.3327	-0.2 mmu 
C27.H65.N9.F6.S7.		11.0	853.3312	+1.3 mmu 
C31.H69.N3.O2.F6.S7.		10.0	853.3339	-1.4 mmu 
C24.H66.N9.O1.F7.S7.		7.0	853.3324	+0.1 mmu 
C29.H68.N3.F9.S7.		7.0	853.3314	+1.1 mmu 
C26.H69.N3.O1.F10.S7.		3.0	853.3326	-0.1 mmu 
C36.H68.N7.P1.S7.		22.0	853.3319	+0.6 mmu 
C24.H72.N9.O7.P1.S7.		9.0	853.3337	-1.2 mmu 
C33.H69.N7.O1.F1.P1.S7.		18.0	853.3330	-0.5 mmu 
C32.H73.N3.O5.F1.P1.S7.		13.0	853.3317	+0.8 mmu 
C26.H66.N13.F2.P1.S7.		15.0	853.3315	+1.0 mmu 
C30.H70.N7.O2.F2.P1.S7.		14.0	853.3342	-1.7 mmu 
C29.H74.N3.O6.F2.P1.S7.		9.0	853.3328	-0.3 mmu 
C38.H71.N1.F3.P1.S7.		18.0	853.3321	+0.4 mmu 
C23.H67.N13.O1.F3.P1.S7.		11.0	853.3326	-0.1 mmu 
C26.H75.N3.O7.F3.P1.S7.		5.0	853.3340	-1.5 mmu 
C35.H72.N1.O1.F4.P1.S7.		14.0	853.3333	-0.8 mmu 
C28.H69.N7.F5.P1.S7.		11.0	853.3317	+0.8 mmu 
C25.H70.N7.O1.F6.P1.S7.		7.0	853.3329	-0.4 mmu 
C30.H72.N1.F8.P1.S7.		7.0	853.3320	+0.5 mmu 
C27.H73.N1.O1.F9.P1.S7.		3.0	853.3331	-0.6 mmu 
C34.H73.N5.O1.P2.S7.		18.0	853.3335	-1.0 mmu 
C33.H77.N1.O5.P2.S7.		13.0	853.3322	+0.3 mmu 
C27.H70.N11.F1.P2.S7.		15.0	853.3320	+0.5 mmu 
C30.H78.N1.O6.F1.P2.S7.		9.0	853.3333	-0.8 mmu 
C24.H71.N11.O1.F2.P2.S7.		11.0	853.3331	-0.6 mmu 
C29.H73.N5.F4.P2.S7.		11.0	853.3322	+0.3 mmu 
C28.H77.N1.O4.F4.P2.S7.		6.0	853.3309	+1.6 mmu 
C26.H74.N5.O1.F5.P2.S7.		7.0	853.3334	-0.9 mmu 
C28.H74.N9.P3.S7.		15.0	853.3325	+0.0 mmu 
C27.H78.N5.O4.P3.S7.		10.0	853.3312	+1.3 mmu 
C25.H75.N9.O1.F1.P3.S7.		11.0	853.3336	-1.1 mmu 
C30.H77.N3.F3.P3.S7.		11.0	853.3327	-0.2 mmu 
C27.H78.N3.O1.F4.P3.S7.		7.0	853.3339	-1.4 mmu 
C31.H81.N1.F2.P4.S7.		11.0	853.3332	-0.7 mmu 
C34.H71.N5.O3.S8.		18.0	853.3323	+0.2 mmu 
C33.H75.N1.O7.S8.		13.0	853.3309	+1.6 mmu 
C31.H72.N5.O4.F1.S8.		14.0	853.3334	-0.9 mmu 
C30.H76.N1.O8.F1.S8.		9.0	853.3321	+0.4 mmu 
C24.H69.N11.O3.F2.S8.		11.0	853.3319	+0.6 mmu 
C27.H77.N1.O9.F2.S8.		5.0	853.3332	-0.7 mmu 
C29.H71.N5.O2.F4.S8.		11.0	853.3310	+1.5 mmu 
C26.H72.N5.O3.F5.S8.		7.0	853.3321	+0.4 mmu 
C28.H72.N9.O2.P1.S8.		15.0	853.3312	+1.3 mmu 
C32.H76.N3.O4.P1.S8.		14.0	853.3339	-1.4 mmu 
C25.H73.N9.O3.F1.P1.S8.		11.0	853.3324	+0.1 mmu 
C30.H75.N3.O2.F3.P1.S8.		11.0	853.3315	+1.0 mmu 
C27.H76.N3.O3.F4.P1.S8.		7.0	853.3326	-0.1 mmu 
C26.H77.N7.O3.P2.S8.		11.0	853.3329	-0.4 mmu 
C34.H78.N1.O1.F1.P2.S8.		15.0	853.3308	+1.7 mmu 
C31.H79.N1.O2.F2.P2.S8.		11.0	853.3320	+0.5 mmu 
C28.H80.N1.O3.F3.P2.S8.		7.0	853.3331	-0.6 mmu 
C27.H71.N11.O1.S9.		16.0	853.3329	-0.4 mmu 
C26.H75.N7.O5.S9.		11.0	853.3316	+0.9 mmu 
C24.H72.N11.O2.F1.S9.		12.0	853.3341	-1.6 mmu 
C32.H73.N5.F2.S9.		16.0	853.3320	+0.5 mmu 
C29.H74.N5.O1.F3.S9.		12.0	853.3332	-0.7 mmu 
C28.H78.N1.O5.F3.S9.		7.0	853.3318	+0.7 mmu 
C33.H77.N3.F1.P1.S9.		16.0	853.3326	-0.1 mmu 
C30.H78.N3.O1.F2.P1.S9.		12.0	853.3337	-1.2 mmu 
C34.H81.N1.P2.S9.		16.0	853.3331	-0.6 mmu 
C31.H82.N1.O1.F1.P2.S9.		12.0	853.3342	-1.7 mmu 
C34.H79.N1.O2.S10.		16.0	853.3318	+0.7 mmu 
C31.H80.N1.O3.F1.S10.		12.0	853.3329	-0.4 mmu 
C28.H81.N1.O4.F2.S10.		8.0	853.3341	-1.6 mmu 
C27.H79.N7.S11.		14.0	853.3325	+0.0 mmu 
C29.H82.N1.F3.S11.		10.0	853.3327	-0.2 mmu 
C45.H40.N17.Cl1.		34.0	853.3341	-1.6 mmu 
C59.H48.N1.O3.Cl1.		36.0	853.3323	+0.2 mmu 
C44.H44.N13.O4.Cl1.		29.0	853.3328	-0.3 mmu 
C29.H40.N25.O5.Cl1.		22.0	853.3333	-0.8 mmu 
C43.H48.N9.O8.Cl1.		24.0	853.3314	+1.1 mmu 
C28.H44.N21.O9.Cl1.		17.0	853.3319	+0.6 mmu 
C47.H52.N3.O10.Cl1.		23.0	853.3341	-1.6 mmu 
C31.H52.N11.O15.Cl1.		11.0	853.3333	-0.8 mmu 
C16.H48.N23.O16.Cl1.		4.0	853.3338	-1.3 mmu 
C30.H56.N7.O19.Cl1.		6.0	853.3320	+0.5 mmu 
C37.H41.N19.O3.F1.Cl1.		26.0	853.3312	+1.3 mmu 
C56.H49.N1.O4.F1.Cl1.		32.0	853.3334	-0.9 mmu 
C41.H45.N13.O5.F1.Cl1.		25.0	853.3339	-1.4 mmu 
C40.H49.N9.O9.F1.Cl1.		20.0	853.3326	-0.1 mmu 
C25.H45.N21.O10.F1.Cl1.		13.0	853.3331	-0.6 mmu 
C39.H53.N5.O13.F1.Cl1.		15.0	853.3312	+1.3 mmu 
C24.H49.N17.O14.F1.Cl1.		8.0	853.3317	+0.8 mmu 
C27.H57.N7.O20.F1.Cl1.		2.0	853.3331	-0.6 mmu 
C35.H38.N23.F2.Cl1.		27.0	853.3337	-1.2 mmu 
C49.H46.N7.O3.F2.Cl1.		29.0	853.3319	+0.6 mmu 
C34.H42.N19.O4.F2.Cl1.		22.0	853.3324	+0.1 mmu 
C33.H46.N15.O8.F2.Cl1.		17.0	853.3310	+1.5 mmu 
C37.H50.N9.O10.F2.Cl1.		16.0	853.3337	-1.2 mmu 
C36.H54.N5.O14.F2.Cl1.		11.0	853.3324	+0.1 mmu 
C21.H50.N17.O15.F2.Cl1.		4.0	853.3329	-0.4 mmu 
C35.H58.N1.O18.F2.Cl1.		6.0	853.3310	+1.5 mmu 
C27.H39.N25.O3.F3.Cl1.		19.0	853.3308	+1.7 mmu 
C46.H47.N7.O4.F3.Cl1.		25.0	853.3330	-0.5 mmu 
C31.H43.N19.O5.F3.Cl1.		18.0	853.3335	-1.0 mmu 
C45.H51.N3.O8.F3.Cl1.		20.0	853.3317	+0.8 mmu 
C30.H47.N15.O9.F3.Cl1.		13.0	853.3322	+0.3 mmu 
C29.H51.N11.O13.F3.Cl1.		8.0	853.3308	+1.7 mmu 
C33.H55.N5.O15.F3.Cl1.		7.0	853.3335	-1.0 mmu 
C18.H51.N17.O16.F3.Cl1.		0.0	853.3340	-1.5 mmu 
C32.H59.N1.O19.F3.Cl1.		2.0	853.3322	+0.3 mmu 
C54.H48.N1.O2.F4.Cl1.		29.0	853.3310	+1.5 mmu 
C39.H44.N13.O3.F4.Cl1.		22.0	853.3315	+1.0 mmu 
C24.H40.N25.O4.F4.Cl1.		15.0	853.3320	+0.5 mmu 
C43.H48.N7.O5.F4.Cl1.		21.0	853.3342	-1.7 mmu 
C42.H52.N3.O9.F4.Cl1.		16.0	853.3328	-0.3 mmu 
C27.H48.N15.O10.F4.Cl1.		9.0	853.3333	-0.8 mmu 
C26.H52.N11.O14.F4.Cl1.		4.0	853.3320	+0.5 mmu 
C37.H41.N17.F5.Cl1.		23.0	853.3340	-1.5 mmu 
C51.H49.N1.O3.F5.Cl1.		25.0	853.3321	+0.4 mmu 
C36.H45.N13.O4.F5.Cl1.		18.0	853.3326	-0.1 mmu 
C21.H41.N25.O5.F5.Cl1.		11.0	853.3331	-0.6 mmu 
C35.H49.N9.O8.F5.Cl1.		13.0	853.3313	+1.2 mmu 
C20.H45.N21.O9.F5.Cl1.		6.0	853.3318	+0.7 mmu 
C39.H53.N3.O10.F5.Cl1.		12.0	853.3340	-1.5 mmu 
C23.H53.N11.O15.F5.Cl1.		0.0	853.3331	-0.6 mmu 
C29.H42.N19.O3.F6.Cl1.		15.0	853.3311	+1.4 mmu 
C48.H50.N1.O4.F6.Cl1.		21.0	853.3333	-0.8 mmu 
C33.H46.N13.O5.F6.Cl1.		14.0	853.3338	-1.3 mmu 
C32.H50.N9.O9.F6.Cl1.		9.0	853.3324	+0.1 mmu 
C17.H46.N21.O10.F6.Cl1.		2.0	853.3329	-0.4 mmu 
C31.H54.N5.O13.F6.Cl1.		4.0	853.3311	+1.4 mmu 
C27.H39.N23.F7.Cl1.		16.0	853.3336	-1.1 mmu 
C41.H47.N7.O3.F7.Cl1.		18.0	853.3317	+0.8 mmu 
C26.H43.N19.O4.F7.Cl1.		11.0	853.3322	+0.3 mmu 
C25.H47.N15.O8.F7.Cl1.		6.0	853.3309	+1.6 mmu 
C29.H51.N9.O10.F7.Cl1.		5.0	853.3336	-1.1 mmu 
C28.H55.N5.O14.F7.Cl1.		0.0	853.3322	+0.3 mmu 
C39.H44.N11.F8.Cl1.		19.0	853.3342	-1.7 mmu 
C38.H48.N7.O4.F8.Cl1.		14.0	853.3329	-0.4 mmu 
C23.H44.N19.O5.F8.Cl1.		7.0	853.3334	-0.9 mmu 
C37.H52.N3.O8.F8.Cl1.		9.0	853.3315	+1.0 mmu 
C22.H48.N15.O9.F8.Cl1.		2.0	853.3320	+0.5 mmu 
C46.H49.N1.O2.F9.Cl1.		18.0	853.3308	+1.7 mmu 
C31.H45.N13.O3.F9.Cl1.		11.0	853.3313	+1.2 mmu 
C16.H41.N25.O4.F9.Cl1.		4.0	853.3318	+0.7 mmu 
C35.H49.N7.O5.F9.Cl1.		10.0	853.3340	-1.5 mmu 
C34.H53.N3.O9.F9.Cl1.		5.0	853.3327	-0.2 mmu 
C29.H42.N17.F10.Cl1.		12.0	853.3338	-1.3 mmu 
C43.H50.N1.O3.F10.Cl1.		14.0	853.3320	+0.5 mmu 
C28.H46.N13.O4.F10.Cl1.		7.0	853.3325	+0.0 mmu 
C27.H50.N9.O8.F10.Cl1.		2.0	853.3311	+1.4 mmu 
C31.H54.N3.O10.F10.Cl1.		1.0	853.3338	-1.3 mmu 
C21.H43.N19.O3.F11.Cl1.		4.0	853.3309	+1.6 mmu 
C40.H51.N1.O4.F11.Cl1.		10.0	853.3331	-0.6 mmu 
C25.H47.N13.O5.F11.Cl1.		3.0	853.3336	-1.1 mmu 
C19.H40.N23.F12.Cl1.		5.0	853.3334	-0.9 mmu 
C33.H48.N7.O3.F12.Cl1.		7.0	853.3316	+0.9 mmu 
C18.H44.N19.O4.F12.Cl1.		0.0	853.3321	+0.4 mmu 
C53.H49.N5.O2.P1.Cl1.		33.0	853.3312	+1.3 mmu 
C38.H45.N17.O3.P1.Cl1.		26.0	853.3317	+0.8 mmu 
C22.H45.N25.O8.P1.Cl1.		14.0	853.3309	+1.6 mmu 
C41.H53.N7.O9.P1.Cl1.		20.0	853.3331	-0.6 mmu 
C26.H49.N19.O10.P1.Cl1.		13.0	853.3336	-1.1 mmu 
C40.H57.N3.O13.P1.Cl1.		15.0	853.3318	+0.7 mmu 
C25.H53.N15.O14.P1.Cl1.		8.0	853.3323	+0.2 mmu 
C24.H57.N11.O18.P1.Cl1.		3.0	853.3309	+1.6 mmu 
C28.H61.N5.O20.P1.Cl1.		2.0	853.3336	-1.1 mmu 
C50.H50.N5.O3.F1.P1.Cl1.		29.0	853.3324	+0.1 mmu 
C35.H46.N17.O4.F1.P1.Cl1.		22.0	853.3329	-0.4 mmu 
C49.H54.N1.O7.F1.P1.Cl1.		24.0	853.3310	+1.5 mmu 
C34.H50.N13.O8.F1.P1.Cl1.		17.0	853.3315	+1.0 mmu 
C19.H46.N25.O9.F1.P1.Cl1.		10.0	853.3321	+0.4 mmu 
C37.H58.N3.O14.F1.P1.Cl1.		11.0	853.3329	-0.4 mmu 
C22.H54.N15.O15.F1.P1.Cl1.		4.0	853.3334	-0.9 mmu 
C43.H47.N11.O2.F2.P1.Cl1.		26.0	853.3308	+1.7 mmu 
C28.H43.N23.O3.F2.P1.Cl1.		19.0	853.3313	+1.2 mmu 
C47.H51.N5.O4.F2.P1.Cl1.		25.0	853.3335	-1.0 mmu 
C32.H47.N17.O5.F2.P1.Cl1.		18.0	853.3340	-1.5 mmu 
C46.H55.N1.O8.F2.P1.Cl1.		20.0	853.3322	+0.3 mmu 
C31.H51.N13.O9.F2.P1.Cl1.		13.0	853.3327	-0.2 mmu 
C16.H47.N25.O10.F2.P1.Cl1.		6.0	853.3332	-0.7 mmu 
C30.H55.N9.O13.F2.P1.Cl1.		8.0	853.3314	+1.1 mmu 
C34.H59.N3.O15.F2.P1.Cl1.		7.0	853.3340	-1.5 mmu 
C40.H48.N11.O3.F3.P1.Cl1.		22.0	853.3320	+0.5 mmu 
C25.H44.N23.O4.F3.P1.Cl1.		15.0	853.3325	+0.0 mmu 
C24.H48.N19.O8.F3.P1.Cl1.		10.0	853.3311	+1.4 mmu 
C43.H56.N1.O9.F3.P1.Cl1.		16.0	853.3333	-0.8 mmu 
C28.H52.N13.O10.F3.P1.Cl1.		9.0	853.3338	-1.3 mmu 
C27.H56.N9.O14.F3.P1.Cl1.		4.0	853.3325	+0.0 mmu 
C37.H49.N11.O4.F4.P1.Cl1.		18.0	853.3331	-0.6 mmu 
C22.H45.N23.O5.F4.P1.Cl1.		11.0	853.3336	-1.1 mmu 
C36.H53.N7.O8.F4.P1.Cl1.		13.0	853.3318	+0.7 mmu 
C21.H49.N19.O9.F4.P1.Cl1.		6.0	853.3323	+0.2 mmu 
C20.H53.N15.O13.F4.P1.Cl1.		1.0	853.3310	+1.5 mmu 
C24.H57.N9.O15.F4.P1.Cl1.		0.0	853.3336	-1.1 mmu 
C45.H50.N5.O2.F5.P1.Cl1.		22.0	853.3311	+1.4 mmu 
C30.H46.N17.O3.F5.P1.Cl1.		15.0	853.3316	+0.9 mmu 
C33.H54.N7.O9.F5.P1.Cl1.		9.0	853.3329	-0.4 mmu 
C18.H50.N19.O10.F5.P1.Cl1.		2.0	853.3334	-0.9 mmu 
C32.H58.N3.O13.F5.P1.Cl1.		4.0	853.3316	+0.9 mmu 
C28.H43.N21.F6.P1.Cl1.		16.0	853.3341	-1.6 mmu 
C42.H51.N5.O3.F6.P1.Cl1.		18.0	853.3322	+0.3 mmu 
C27.H47.N17.O4.F6.P1.Cl1.		11.0	853.3327	-0.2 mmu 
C41.H55.N1.O7.F6.P1.Cl1.		13.0	853.3309	+1.6 mmu 
C26.H51.N13.O8.F6.P1.Cl1.		6.0	853.3314	+1.1 mmu 
C30.H55.N7.O10.F6.P1.Cl1.		5.0	853.3341	-1.6 mmu 
C29.H59.N3.O14.F6.P1.Cl1.		0.0	853.3327	-0.2 mmu 
C20.H44.N23.O3.F7.P1.Cl1.		8.0	853.3312	+1.3 mmu 
C39.H52.N5.O4.F7.P1.Cl1.		14.0	853.3334	-0.9 mmu 
C24.H48.N17.O5.F7.P1.Cl1.		7.0	853.3339	-1.4 mmu 
C38.H56.N1.O8.F7.P1.Cl1.		9.0	853.3320	+0.5 mmu 
C23.H52.N13.O9.F7.P1.Cl1.		2.0	853.3325	-0.0 mmu 
C32.H49.N11.O3.F8.P1.Cl1.		11.0	853.3318	+0.7 mmu 
C17.H45.N23.O4.F8.P1.Cl1.		4.0	853.3323	+0.2 mmu 
C35.H57.N1.O9.F8.P1.Cl1.		5.0	853.3332	-0.7 mmu 
C29.H50.N11.O4.F9.P1.Cl1.		7.0	853.3330	-0.5 mmu 
C28.H54.N7.O8.F9.P1.Cl1.		2.0	853.3316	+0.9 mmu 
C37.H51.N5.O2.F10.P1.Cl1.		11.0	853.3309	+1.6 mmu 
C22.H47.N17.O3.F10.P1.Cl1.		4.0	853.3314	+1.1 mmu 
C26.H51.N11.O5.F10.P1.Cl1.		3.0	853.3341	-1.6 mmu 
C20.H44.N21.F11.P1.Cl1.		5.0	853.3339	-1.4 mmu 
C34.H52.N5.O3.F11.P1.Cl1.		7.0	853.3321	+0.4 mmu 
C19.H48.N17.O4.F11.P1.Cl1.		0.0	853.3326	-0.1 mmu 
C31.H53.N5.O4.F12.P1.Cl1.		3.0	853.3332	-0.7 mmu 
C51.H54.N3.O3.P2.Cl1.		29.0	853.3329	-0.4 mmu 
C36.H50.N15.O4.P2.Cl1.		22.0	853.3334	-0.9 mmu 
C35.H54.N11.O8.P2.Cl1.		17.0	853.3321	+0.4 mmu 
C20.H50.N23.O9.P2.Cl1.		10.0	853.3326	-0.1 mmu 
C19.H54.N19.O13.P2.Cl1.		5.0	853.3312	+1.3 mmu 
C38.H62.N1.O14.P2.Cl1.		11.0	853.3334	-0.9 mmu 
C23.H58.N13.O15.P2.Cl1.		4.0	853.3339	-1.4 mmu 
C44.H51.N9.O2.F1.P2.Cl1.		26.0	853.3314	+1.1 mmu 
C29.H47.N21.O3.F1.P2.Cl1.		19.0	853.3319	+0.6 mmu 
C48.H55.N3.O4.F1.P2.Cl1.		25.0	853.3340	-1.5 mmu 
C32.H55.N11.O9.F1.P2.Cl1.		13.0	853.3332	-0.7 mmu 
C17.H51.N23.O10.F1.P2.Cl1.		6.0	853.3337	-1.2 mmu 
C31.H59.N7.O13.F1.P2.Cl1.		8.0	853.3319	+0.6 mmu 
C41.H52.N9.O3.F2.P2.Cl1.		22.0	853.3325	+0.0 mmu 
C26.H48.N21.O4.F2.P2.Cl1.		15.0	853.3330	-0.5 mmu 
C40.H56.N5.O7.F2.P2.Cl1.		17.0	853.3312	+1.3 mmu 
C25.H52.N17.O8.F2.P2.Cl1.		10.0	853.3317	+0.8 mmu 
C28.H60.N7.O14.F2.P2.Cl1.		4.0	853.3330	-0.5 mmu 
C34.H49.N15.O2.F3.P2.Cl1.		19.0	853.3310	+1.5 mmu 
C38.H53.N9.O4.F3.P2.Cl1.		18.0	853.3336	-1.1 mmu 
C23.H49.N21.O5.F3.P2.Cl1.		11.0	853.3341	-1.6 mmu 
C37.H57.N5.O8.F3.P2.Cl1.		13.0	853.3323	+0.2 mmu 
C22.H53.N17.O9.F3.P2.Cl1.		6.0	853.3328	-0.3 mmu 
C36.H61.N1.O12.F3.P2.Cl1.		8.0	853.3310	+1.5 mmu 
C21.H57.N13.O13.F3.P2.Cl1.		1.0	853.3315	+1.0 mmu 
C25.H61.N7.O15.F3.P2.Cl1.		0.0	853.3341	-1.6 mmu 
C46.H54.N3.O2.F4.P2.Cl1.		22.0	853.3316	+0.9 mmu 
C31.H50.N15.O3.F4.P2.Cl1.		15.0	853.3321	+0.4 mmu 
C34.H58.N5.O9.F4.P2.Cl1.		9.0	853.3334	-0.9 mmu 
C19.H54.N17.O10.F4.P2.Cl1.		2.0	853.3339	-1.4 mmu 
C33.H62.N1.O13.F4.P2.Cl1.		4.0	853.3321	+0.4 mmu 
C43.H55.N3.O3.F5.P2.Cl1.		18.0	853.3327	-0.2 mmu 
C28.H51.N15.O4.F5.P2.Cl1.		11.0	853.3332	-0.7 mmu 
C27.H55.N11.O8.F5.P2.Cl1.		6.0	853.3319	+0.6 mmu 
C30.H63.N1.O14.F5.P2.Cl1.		0.0	853.3332	-0.7 mmu 
C36.H52.N9.O2.F6.P2.Cl1.		15.0	853.3312	+1.3 mmu 
C21.H48.N21.O3.F6.P2.Cl1.		8.0	853.3317	+0.8 mmu 
C40.H56.N3.O4.F6.P2.Cl1.		14.0	853.3339	-1.4 mmu 
C24.H56.N11.O9.F6.P2.Cl1.		2.0	853.3330	-0.5 mmu 
C19.H45.N25.F7.P2.Cl1.		9.0	853.3342	-1.7 mmu 
C33.H53.N9.O3.F7.P2.Cl1.		11.0	853.3323	+0.2 mmu 
C18.H49.N21.O4.F7.P2.Cl1.		4.0	853.3328	-0.3 mmu 
C32.H57.N5.O7.F7.P2.Cl1.		6.0	853.3310	+1.5 mmu 
C30.H54.N9.O4.F8.P2.Cl1.		7.0	853.3335	-1.0 mmu 
C29.H58.N5.O8.F8.P2.Cl1.		2.0	853.3321	+0.4 mmu 
C38.H55.N3.O2.F9.P2.Cl1.		11.0	853.3314	+1.1 mmu 
C23.H51.N15.O3.F9.P2.Cl1.		4.0	853.3319	+0.6 mmu 
C35.H56.N3.O3.F10.P2.Cl1.		7.0	853.3326	-0.1 mmu 
C20.H52.N15.O4.F10.P2.Cl1.		0.0	853.3331	-0.6 mmu 
C28.H53.N9.O2.F11.P2.Cl1.		4.0	853.3310	+1.5 mmu 
C32.H57.N3.O4.F11.P2.Cl1.		3.0	853.3337	-1.2 mmu 
C25.H54.N9.O3.F12.P2.Cl1.		0.0	853.3322	+0.3 mmu 
C45.H55.N7.O2.P3.Cl1.		26.0	853.3319	+0.6 mmu 
C30.H51.N19.O3.P3.Cl1.		19.0	853.3324	+0.1 mmu 
C29.H55.N15.O7.P3.Cl1.		14.0	853.3310	+1.5 mmu 
C33.H59.N9.O9.P3.Cl1.		13.0	853.3337	-1.2 mmu 
C32.H63.N5.O13.P3.Cl1.		8.0	853.3324	+0.1 mmu 
C31.H67.N1.O17.P3.Cl1.		3.0	853.3310	+1.5 mmu 
C23.H48.N25.O2.F1.P3.Cl1.		16.0	853.3308	+1.7 mmu 
C42.H56.N7.O3.F1.P3.Cl1.		22.0	853.3330	-0.5 mmu 
C27.H52.N19.O4.F1.P3.Cl1.		15.0	853.3335	-1.0 mmu 
C41.H60.N3.O7.F1.P3.Cl1.		17.0	853.3317	+0.8 mmu 
C26.H56.N15.O8.F1.P3.Cl1.		10.0	853.3322	+0.3 mmu 
C25.H60.N11.O12.F1.P3.Cl1.		5.0	853.3308	+1.7 mmu 
C29.H64.N5.O14.F1.P3.Cl1.		4.0	853.3335	-1.0 mmu 
C50.H57.N1.O1.F2.P3.Cl1.		26.0	853.3310	+1.5 mmu 
C35.H53.N13.O2.F2.P3.Cl1.		19.0	853.3315	+1.0 mmu 
C20.H49.N25.O3.F2.P3.Cl1.		12.0	853.3320	+0.5 mmu 
C39.H57.N7.O4.F2.P3.Cl1.		18.0	853.3341	-1.6 mmu 
C38.H61.N3.O8.F2.P3.Cl1.		13.0	853.3328	-0.3 mmu 
C23.H57.N15.O9.F2.P3.Cl1.		6.0	853.3333	-0.8 mmu 
C22.H61.N11.O13.F2.P3.Cl1.		1.0	853.3320	+0.5 mmu 
C47.H58.N1.O2.F3.P3.Cl1.		22.0	853.3321	+0.4 mmu 
C32.H54.N13.O3.F3.P3.Cl1.		15.0	853.3326	-0.1 mmu 
C17.H50.N25.O4.F3.P3.Cl1.		8.0	853.3331	-0.6 mmu 
C31.H58.N9.O7.F3.P3.Cl1.		10.0	853.3313	+1.2 mmu 
C35.H62.N3.O9.F3.P3.Cl1.		9.0	853.3340	-1.5 mmu 
C25.H51.N19.O2.F4.P3.Cl1.		12.0	853.3311	+1.4 mmu 
C44.H59.N1.O3.F4.P3.Cl1.		18.0	853.3332	-0.7 mmu 
C29.H55.N13.O4.F4.P3.Cl1.		11.0	853.3337	-1.2 mmu 
C28.H59.N9.O8.F4.P3.Cl1.		6.0	853.3324	+0.1 mmu 
C27.H63.N5.O12.F4.P3.Cl1.		1.0	853.3311	+1.4 mmu 
C37.H56.N7.O2.F5.P3.Cl1.		15.0	853.3317	+0.8 mmu 
C22.H52.N19.O3.F5.P3.Cl1.		8.0	853.3322	+0.3 mmu 
C21.H56.N15.O7.F5.P3.Cl1.		3.0	853.3309	+1.6 mmu 
C25.H60.N9.O9.F5.P3.Cl1.		2.0	853.3336	-1.1 mmu 
C34.H57.N7.O3.F6.P3.Cl1.		11.0	853.3328	-0.3 mmu 
C19.H53.N19.O4.F6.P3.Cl1.		4.0	853.3333	-0.8 mmu 
C33.H61.N3.O7.F6.P3.Cl1.		6.0	853.3315	+1.0 mmu 
C42.H58.N1.O1.F7.P3.Cl1.		15.0	853.3308	+1.7 mmu 
C27.H54.N13.O2.F7.P3.Cl1.		8.0	853.3313	+1.2 mmu 
C31.H58.N7.O4.F7.P3.Cl1.		7.0	853.3340	-1.5 mmu 
C30.H62.N3.O8.F7.P3.Cl1.		2.0	853.3327	-0.2 mmu 
C39.H59.N1.O2.F8.P3.Cl1.		11.0	853.3319	+0.6 mmu 
C24.H55.N13.O3.F8.P3.Cl1.		4.0	853.3324	+0.1 mmu 
C36.H60.N1.O3.F9.P3.Cl1.		7.0	853.3331	-0.6 mmu 
C21.H56.N13.O4.F9.P3.Cl1.		0.0	853.3336	-1.1 mmu 
C29.H57.N7.O2.F10.P3.Cl1.		4.0	853.3315	+1.0 mmu 
C26.H58.N7.O3.F11.P3.Cl1.		0.0	853.3327	-0.2 mmu 
C39.H56.N11.O1.P4.Cl1.		23.0	853.3308	+1.7 mmu 
C24.H52.N23.O2.P4.Cl1.		16.0	853.3313	+1.2 mmu 
C43.H60.N5.O3.P4.Cl1.		22.0	853.3335	-1.0 mmu 
C28.H56.N17.O4.P4.Cl1.		15.0	853.3340	-1.5 mmu 
C42.H64.N1.O7.P4.Cl1.		17.0	853.3322	+0.3 mmu 
C27.H60.N13.O8.P4.Cl1.		10.0	853.3327	-0.2 mmu 
C26.H64.N9.O12.P4.Cl1.		5.0	853.3313	+1.2 mmu 
C30.H68.N3.O14.P4.Cl1.		4.0	853.3340	-1.5 mmu 
C36.H57.N11.O2.F1.P4.Cl1.		19.0	853.3320	+0.5 mmu 
C21.H53.N23.O3.F1.P4.Cl1.		12.0	853.3325	+0.0 mmu 
C20.H57.N19.O7.F1.P4.Cl1.		7.0	853.3311	+1.4 mmu 
C39.H65.N1.O8.F1.P4.Cl1.		13.0	853.3333	-0.8 mmu 
C24.H61.N13.O9.F1.P4.Cl1.		6.0	853.3338	-1.3 mmu 
C23.H65.N9.O13.F1.P4.Cl1.		1.0	853.3325	+0.0 mmu 
C33.H58.N11.O3.F2.P4.Cl1.		15.0	853.3331	-0.6 mmu 
C18.H54.N23.O4.F2.P4.Cl1.		8.0	853.3336	-1.1 mmu 
C32.H62.N7.O7.F2.P4.Cl1.		10.0	853.3318	+0.7 mmu 
C41.H59.N5.O1.F3.P4.Cl1.		19.0	853.3311	+1.4 mmu 
C26.H55.N17.O2.F3.P4.Cl1.		12.0	853.3316	+0.9 mmu 
C29.H63.N7.O8.F3.P4.Cl1.		6.0	853.3329	-0.4 mmu 
C28.H67.N3.O12.F3.P4.Cl1.		1.0	853.3316	+0.9 mmu 
C38.H60.N5.O2.F4.P4.Cl1.		15.0	853.3322	+0.3 mmu 
C23.H56.N17.O3.F4.P4.Cl1.		8.0	853.3327	-0.2 mmu 
C37.H64.N1.O6.F4.P4.Cl1.		10.0	853.3309	+1.6 mmu 
C22.H60.N13.O7.F4.P4.Cl1.		3.0	853.3314	+1.1 mmu 
C26.H64.N7.O9.F4.P4.Cl1.		2.0	853.3341	-1.6 mmu 
C35.H61.N5.O3.F5.P4.Cl1.		11.0	853.3334	-0.9 mmu 
C20.H57.N17.O4.F5.P4.Cl1.		4.0	853.3339	-1.4 mmu 
C34.H65.N1.O7.F5.P4.Cl1.		6.0	853.3320	+0.5 mmu 
C28.H58.N11.O2.F6.P4.Cl1.		8.0	853.3318	+0.7 mmu 
C31.H66.N1.O8.F6.P4.Cl1.		2.0	853.3332	-0.7 mmu 
C25.H59.N11.O3.F7.P4.Cl1.		4.0	853.3330	-0.5 mmu 
C33.H60.N5.O1.F8.P4.Cl1.		8.0	853.3309	+1.6 mmu 
C22.H60.N11.O4.F8.P4.Cl1.		0.0	853.3341	-1.6 mmu 
C30.H61.N5.O2.F9.P4.Cl1.		4.0	853.3321	+0.4 mmu 
C27.H62.N5.O3.F10.P4.Cl1.		0.0	853.3332	-0.7 mmu 
C37.H61.N9.O2.P5.Cl1.		19.0	853.3325	+0.0 mmu 
C22.H57.N21.O3.P5.Cl1.		12.0	853.3330	-0.5 mmu 
C36.H65.N5.O6.P5.Cl1.		14.0	853.3311	+1.4 mmu 
C21.H61.N17.O7.P5.Cl1.		7.0	853.3316	+0.9 mmu 
C24.H69.N7.O13.P5.Cl1.		1.0	853.3330	-0.5 mmu 
C30.H58.N15.O1.F1.P5.Cl1.		16.0	853.3309	+1.6 mmu 
C34.H62.N9.O3.F1.P5.Cl1.		15.0	853.3336	-1.1 mmu 
C33.H66.N5.O7.F1.P5.Cl1.		10.0	853.3323	+0.2 mmu 
C32.H70.N1.O11.F1.P5.Cl1.		5.0	853.3310	+1.5 mmu 
C42.H63.N3.O1.F2.P5.Cl1.		19.0	853.3316	+0.9 mmu 
C27.H59.N15.O2.F2.P5.Cl1.		12.0	853.3321	+0.4 mmu 
C30.H67.N5.O8.F2.P5.Cl1.		6.0	853.3334	-0.9 mmu 
C29.H71.N1.O12.F2.P5.Cl1.		1.0	853.3321	+0.4 mmu 
C39.H64.N3.O2.F3.P5.Cl1.		15.0	853.3327	-0.2 mmu 
C24.H60.N15.O3.F3.P5.Cl1.		8.0	853.3332	-0.7 mmu 
C23.H64.N11.O7.F3.P5.Cl1.		3.0	853.3319	+0.6 mmu 
C32.H61.N9.O1.F4.P5.Cl1.		12.0	853.3312	+1.3 mmu 
C36.H65.N3.O3.F4.P5.Cl1.		11.0	853.3339	-1.4 mmu 
C29.H62.N9.O2.F5.P5.Cl1.		8.0	853.3323	+0.2 mmu 
C28.H66.N5.O6.F5.P5.Cl1.		3.0	853.3310	+1.5 mmu 
C26.H63.N9.O3.F6.P5.Cl1.		4.0	853.3335	-1.0 mmu 
C34.H64.N3.O1.F7.P5.Cl1.		8.0	853.3314	+1.1 mmu 
C31.H65.N3.O2.F8.P5.Cl1.		4.0	853.3326	-0.1 mmu 
C24.H62.N9.O1.F9.P5.Cl1.		1.0	853.3310	+1.5 mmu 
C28.H66.N3.O3.F9.P5.Cl1.		0.0	853.3337	-1.2 mmu 
C46.H66.N1.P6.Cl1.		23.0	853.3309	+1.6 mmu 
C31.H62.N13.O1.P6.Cl1.		16.0	853.3315	+1.0 mmu 
C35.H66.N7.O3.P6.Cl1.		15.0	853.3341	-1.6 mmu 
C34.H70.N3.O7.P6.Cl1.		10.0	853.3328	-0.3 mmu 
C43.H67.N1.O1.F1.P6.Cl1.		19.0	853.3321	+0.4 mmu 
C28.H63.N13.O2.F1.P6.Cl1.		12.0	853.3326	-0.1 mmu 
C27.H67.N9.O6.F1.P6.Cl1.		7.0	853.3313	+1.2 mmu 
C31.H71.N3.O8.F1.P6.Cl1.		6.0	853.3339	-1.4 mmu 
C21.H60.N19.O1.F2.P6.Cl1.		9.0	853.3311	+1.4 mmu 
C40.H68.N1.O2.F2.P6.Cl1.		15.0	853.3332	-0.7 mmu 
C25.H64.N13.O3.F2.P6.Cl1.		8.0	853.3337	-1.2 mmu 
C24.H68.N9.O7.F2.P6.Cl1.		3.0	853.3324	+0.1 mmu 
C33.H65.N7.O1.F3.P6.Cl1.		12.0	853.3317	+0.8 mmu 
C30.H66.N7.O2.F4.P6.Cl1.		8.0	853.3328	-0.3 mmu 
C29.H70.N3.O6.F4.P6.Cl1.		3.0	853.3315	+1.0 mmu 
C23.H63.N13.O1.F5.P6.Cl1.		5.0	853.3313	+1.2 mmu 
C27.H67.N7.O3.F5.P6.Cl1.		4.0	853.3340	-1.5 mmu 
C35.H68.N1.O1.F6.P6.Cl1.		8.0	853.3319	+0.6 mmu 
C32.H69.N1.O2.F7.P6.Cl1.		4.0	853.3331	-0.6 mmu 
C25.H66.N7.O1.F8.P6.Cl1.		1.0	853.3315	+1.0 mmu 
C29.H67.N11.O2.P7.Cl1.		12.0	853.3331	-0.6 mmu 
C28.H71.N7.O6.P7.Cl1.		7.0	853.3318	+0.7 mmu 
C37.H68.N5.F1.P7.Cl1.		16.0	853.3311	+1.4 mmu 
C22.H64.N17.O1.F1.P7.Cl1.		9.0	853.3316	+0.9 mmu 
C25.H72.N7.O7.F1.P7.Cl1.		3.0	853.3329	-0.4 mmu 
C34.H69.N5.O1.F2.P7.Cl1.		12.0	853.3322	+0.3 mmu 
C33.H73.N1.O5.F2.P7.Cl1.		7.0	853.3309	+1.6 mmu 
C31.H70.N5.O2.F3.P7.Cl1.		8.0	853.3333	-0.8 mmu 
C30.H74.N1.O6.F3.P7.Cl1.		3.0	853.3320	+0.5 mmu 
C24.H67.N11.O1.F4.P7.Cl1.		5.0	853.3318	+0.7 mmu 
C29.H69.N5.F6.P7.Cl1.		5.0	853.3309	+1.6 mmu 
C26.H70.N5.O1.F7.P7.Cl1.		1.0	853.3320	+0.5 mmu 
C38.H72.N3.P8.Cl1.		16.0	853.3316	+0.9 mmu 
C26.H76.N5.O7.P8.Cl1.		3.0	853.3334	-0.9 mmu 
C35.H73.N3.O1.F1.P8.Cl1.		12.0	853.3327	-0.2 mmu 
C28.H70.N9.F2.P8.Cl1.		9.0	853.3312	+1.3 mmu 
C32.H74.N3.O2.F2.P8.Cl1.		8.0	853.3339	-1.4 mmu 
C25.H71.N9.O1.F3.P8.Cl1.		5.0	853.3323	+0.2 mmu 
C30.H73.N3.F5.P8.Cl1.		5.0	853.3314	+1.1 mmu 
C27.H74.N3.O1.F6.P8.Cl1.		1.0	853.3326	-0.1 mmu 
C36.H77.N1.O1.P9.Cl1.		12.0	853.3332	-0.7 mmu 
C29.H74.N7.F1.P9.Cl1.		9.0	853.3317	+0.8 mmu 
C31.H77.N1.F4.P9.Cl1.		5.0	853.3319	+0.6 mmu 
C52.H48.N7.O1.S1.Cl1.		34.0	853.3330	-0.5 mmu 
C37.H44.N19.O2.S1.Cl1.		27.0	853.3335	-1.0 mmu 
C51.H52.N3.O5.S1.Cl1.		29.0	853.3316	+0.9 mmu 
C36.H48.N15.O6.S1.Cl1.		22.0	853.3321	+0.4 mmu 
C20.H48.N23.O11.S1.Cl1.		10.0	853.3313	+1.2 mmu 
C39.H56.N5.O12.S1.Cl1.		16.0	853.3335	-1.0 mmu 
C24.H52.N17.O13.S1.Cl1.		9.0	853.3340	-1.5 mmu 
C38.H60.N1.O16.S1.Cl1.		11.0	853.3321	+0.4 mmu 
C23.H56.N13.O17.S1.Cl1.		4.0	853.3326	-0.1 mmu 
C45.H45.N13.F1.S1.Cl1.		31.0	853.3314	+1.1 mmu 
C30.H41.N25.O1.F1.S1.Cl1.		24.0	853.3319	+0.6 mmu 
C49.H49.N7.O2.F1.S1.Cl1.		30.0	853.3341	-1.6 mmu 
C48.H53.N3.O6.F1.S1.Cl1.		25.0	853.3328	-0.3 mmu 
C33.H49.N15.O7.F1.S1.Cl1.		18.0	853.3333	-0.8 mmu 
C32.H53.N11.O11.F1.S1.Cl1.		13.0	853.3319	+0.6 mmu 
C17.H49.N23.O12.F1.S1.Cl1.		6.0	853.3324	+0.1 mmu 
C35.H61.N1.O17.F1.S1.Cl1.		7.0	853.3333	-0.8 mmu 
C20.H57.N13.O18.F1.S1.Cl1.		0.0	853.3338	-1.3 mmu 
C57.H50.N1.F2.S1.Cl1.		34.0	853.3321	+0.4 mmu 
C42.H46.N13.O1.F2.S1.Cl1.		27.0	853.3326	-0.1 mmu 
C27.H42.N25.O2.F2.S1.Cl1.		20.0	853.3331	-0.6 mmu 
C41.H50.N9.O5.F2.S1.Cl1.		22.0	853.3312	+1.3 mmu 
C26.H46.N21.O6.F2.S1.Cl1.		15.0	853.3317	+0.8 mmu 
C45.H54.N3.O7.F2.S1.Cl1.		21.0	853.3339	-1.4 mmu 
C29.H54.N11.O12.F2.S1.Cl1.		9.0	853.3331	-0.6 mmu 
C28.H58.N7.O16.F2.S1.Cl1.		4.0	853.3317	+0.8 mmu 
C35.H43.N19.F3.S1.Cl1.		24.0	853.3310	+1.5 mmu 
C54.H51.N1.O1.F3.S1.Cl1.		30.0	853.3332	-0.7 mmu 
C39.H47.N13.O2.F3.S1.Cl1.		23.0	853.3337	-1.2 mmu 
C24.H43.N25.O3.F3.S1.Cl1.		16.0	853.3342	-1.7 mmu 
C38.H51.N9.O6.F3.S1.Cl1.		18.0	853.3324	+0.1 mmu 
C23.H47.N21.O7.F3.S1.Cl1.		11.0	853.3329	-0.4 mmu 
C37.H55.N5.O10.F3.S1.Cl1.		13.0	853.3310	+1.5 mmu 
C22.H51.N17.O11.F3.S1.Cl1.		6.0	853.3315	+1.0 mmu 
C25.H59.N7.O17.F3.S1.Cl1.		0.0	853.3329	-0.4 mmu 
C47.H48.N7.F4.S1.Cl1.		27.0	853.3317	+0.8 mmu 
C32.H44.N19.O1.F4.S1.Cl1.		20.0	853.3322	+0.3 mmu 
C31.H48.N15.O5.F4.S1.Cl1.		15.0	853.3308	+1.7 mmu 
C35.H52.N9.O7.F4.S1.Cl1.		14.0	853.3335	-1.0 mmu 
C20.H48.N21.O8.F4.S1.Cl1.		7.0	853.3340	-1.5 mmu 
C34.H56.N5.O11.F4.S1.Cl1.		9.0	853.3322	+0.3 mmu 
C19.H52.N17.O12.F4.S1.Cl1.		2.0	853.3327	-0.2 mmu 
C33.H60.N1.O15.F4.S1.Cl1.		4.0	853.3308	+1.7 mmu 
C44.H49.N7.O1.F5.S1.Cl1.		23.0	853.3328	-0.3 mmu 
C29.H45.N19.O2.F5.S1.Cl1.		16.0	853.3333	-0.8 mmu 
C43.H53.N3.O5.F5.S1.Cl1.		18.0	853.3315	+1.0 mmu 
C28.H49.N15.O6.F5.S1.Cl1.		11.0	853.3320	+0.5 mmu 
C31.H57.N5.O12.F5.S1.Cl1.		5.0	853.3333	-0.8 mmu 
C30.H61.N1.O16.F5.S1.Cl1.		0.0	853.3320	+0.5 mmu 
C37.H46.N13.F6.S1.Cl1.		20.0	853.3313	+1.2 mmu 
C22.H42.N25.O1.F6.S1.Cl1.		13.0	853.3318	+0.7 mmu 
C41.H50.N7.O2.F6.S1.Cl1.		19.0	853.3339	-1.4 mmu 
C40.H54.N3.O6.F6.S1.Cl1.		14.0	853.3326	-0.1 mmu 
C25.H50.N15.O7.F6.S1.Cl1.		7.0	853.3331	-0.6 mmu 
C24.H54.N11.O11.F6.S1.Cl1.		2.0	853.3318	+0.7 mmu 
C49.H51.N1.F7.S1.Cl1.		23.0	853.3319	+0.6 mmu 
C34.H47.N13.O1.F7.S1.Cl1.		16.0	853.3324	+0.1 mmu 
C19.H43.N25.O2.F7.S1.Cl1.		9.0	853.3329	-0.4 mmu 
C33.H51.N9.O5.F7.S1.Cl1.		11.0	853.3311	+1.4 mmu 
C18.H47.N21.O6.F7.S1.Cl1.		4.0	853.3316	+0.9 mmu 
C37.H55.N3.O7.F7.S1.Cl1.		10.0	853.3337	-1.2 mmu 
C27.H44.N19.F8.S1.Cl1.		13.0	853.3309	+1.6 mmu 
C46.H52.N1.O1.F8.S1.Cl1.		19.0	853.3330	-0.5 mmu 
C31.H48.N13.O2.F8.S1.Cl1.		12.0	853.3335	-1.0 mmu 
C16.H44.N25.O3.F8.S1.Cl1.		5.0	853.3340	-1.5 mmu 
C30.H52.N9.O6.F8.S1.Cl1.		7.0	853.3322	+0.3 mmu 
C29.H56.N5.O10.F8.S1.Cl1.		2.0	853.3309	+1.6 mmu 
C39.H49.N7.F9.S1.Cl1.		16.0	853.3315	+1.0 mmu 
C24.H45.N19.O1.F9.S1.Cl1.		9.0	853.3320	+0.5 mmu 
C43.H53.N1.O2.F9.S1.Cl1.		15.0	853.3342	-1.7 mmu 
C27.H53.N9.O7.F9.S1.Cl1.		3.0	853.3333	-0.8 mmu 
C36.H50.N7.O1.F10.S1.Cl1.		12.0	853.3326	-0.1 mmu 
C21.H46.N19.O2.F10.S1.Cl1.		5.0	853.3331	-0.6 mmu 
C35.H54.N3.O5.F10.S1.Cl1.		7.0	853.3313	+1.2 mmu 
C20.H50.N15.O6.F10.S1.Cl1.		0.0	853.3318	+0.7 mmu 
C29.H47.N13.F11.S1.Cl1.		9.0	853.3311	+1.4 mmu 
C33.H51.N7.O2.F11.S1.Cl1.		8.0	853.3338	-1.3 mmu 
C32.H55.N3.O6.F11.S1.Cl1.		3.0	853.3324	+0.1 mmu 
C41.H52.N1.F12.S1.Cl1.		12.0	853.3317	+0.8 mmu 
C26.H48.N13.O1.F12.S1.Cl1.		5.0	853.3322	+0.3 mmu 
C25.H52.N9.O5.F12.S1.Cl1.		0.0	853.3309	+1.6 mmu 
C46.H49.N11.P1.S1.Cl1.		31.0	853.3319	+0.6 mmu 
C31.H45.N23.O1.P1.S1.Cl1.		24.0	853.3324	+0.1 mmu 
C30.H49.N19.O5.P1.S1.Cl1.		19.0	853.3311	+1.4 mmu 
C49.H57.N1.O6.P1.S1.Cl1.		25.0	853.3333	-0.8 mmu 
C34.H53.N13.O7.P1.S1.Cl1.		18.0	853.3338	-1.3 mmu 
C33.H57.N9.O11.P1.S1.Cl1.		13.0	853.3324	+0.1 mmu 
C18.H53.N21.O12.P1.S1.Cl1.		6.0	853.3329	-0.4 mmu 
C32.H61.N5.O15.P1.S1.Cl1.		8.0	853.3311	+1.4 mmu 
C43.H50.N11.O1.F1.P1.S1.Cl1.		27.0	853.3331	-0.6 mmu 
C28.H46.N23.O2.F1.P1.S1.Cl1.		20.0	853.3336	-1.1 mmu 
C42.H54.N7.O5.F1.P1.S1.Cl1.		22.0	853.3317	+0.8 mmu 
C27.H50.N19.O6.F1.P1.S1.Cl1.		15.0	853.3322	+0.3 mmu 
C26.H54.N15.O10.F1.P1.S1.Cl1.		10.0	853.3309	+1.6 mmu 
C30.H58.N9.O12.F1.P1.S1.Cl1.		9.0	853.3336	-1.1 mmu 
C29.H62.N5.O16.F1.P1.S1.Cl1.		4.0	853.3322	+0.3 mmu 
C36.H47.N17.F2.P1.S1.Cl1.		24.0	853.3315	+1.0 mmu 
C39.H55.N7.O6.F2.P1.S1.Cl1.		18.0	853.3329	-0.4 mmu 
C24.H51.N19.O7.F2.P1.S1.Cl1.		11.0	853.3334	-0.9 mmu 
C38.H59.N3.O10.F2.P1.S1.Cl1.		13.0	853.3315	+1.0 mmu 
C23.H55.N15.O11.F2.P1.S1.Cl1.		6.0	853.3320	+0.5 mmu 
C26.H63.N5.O17.F2.P1.S1.Cl1.		0.0	853.3334	-0.9 mmu 
C48.H52.N5.F3.P1.S1.Cl1.		27.0	853.3322	+0.3 mmu 
C33.H48.N17.O1.F3.P1.S1.Cl1.		20.0	853.3327	-0.2 mmu 
C47.H56.N1.O4.F3.P1.S1.Cl1.		22.0	853.3308	+1.7 mmu 
C32.H52.N13.O5.F3.P1.S1.Cl1.		15.0	853.3313	+1.2 mmu 
C17.H48.N25.O6.F3.P1.S1.Cl1.		8.0	853.3318	+0.7 mmu 
C36.H56.N7.O7.F3.P1.S1.Cl1.		14.0	853.3340	-1.5 mmu 
C35.H60.N3.O11.F3.P1.S1.Cl1.		9.0	853.3327	-0.2 mmu 
C20.H56.N15.O12.F3.P1.S1.Cl1.		2.0	853.3332	-0.7 mmu 
C26.H45.N23.F4.P1.S1.Cl1.		17.0	853.3311	+1.4 mmu 
C45.H53.N5.O1.F4.P1.S1.Cl1.		23.0	853.3333	-0.8 mmu 
C30.H49.N17.O2.F4.P1.S1.Cl1.		16.0	853.3338	-1.3 mmu 
C44.H57.N1.O5.F4.P1.S1.Cl1.		18.0	853.3320	+0.5 mmu 
C29.H53.N13.O6.F4.P1.S1.Cl1.		11.0	853.3325	+0.0 mmu 
C28.H57.N9.O10.F4.P1.S1.Cl1.		6.0	853.3311	+1.4 mmu 
C32.H61.N3.O12.F4.P1.S1.Cl1.		5.0	853.3338	-1.3 mmu 
C38.H50.N11.F5.P1.S1.Cl1.		20.0	853.3318	+0.7 mmu 
C23.H46.N23.O1.F5.P1.S1.Cl1.		13.0	853.3323	+0.2 mmu 
C22.H50.N19.O5.F5.P1.S1.Cl1.		8.0	853.3309	+1.6 mmu 
C41.H58.N1.O6.F5.P1.S1.Cl1.		14.0	853.3331	-0.6 mmu 
C26.H54.N13.O7.F5.P1.S1.Cl1.		7.0	853.3336	-1.1 mmu 
C25.H58.N9.O11.F5.P1.S1.Cl1.		2.0	853.3323	+0.2 mmu 
C35.H51.N11.O1.F6.P1.S1.Cl1.		16.0	853.3329	-0.4 mmu 
C20.H47.N23.O2.F6.P1.S1.Cl1.		9.0	853.3334	-0.9 mmu 
C34.H55.N7.O5.F6.P1.S1.Cl1.		11.0	853.3316	+0.9 mmu 
C19.H51.N19.O6.F6.P1.S1.Cl1.		4.0	853.3321	+0.4 mmu 
C28.H48.N17.F7.P1.S1.Cl1.		13.0	853.3314	+1.1 mmu 
C32.H52.N11.O2.F7.P1.S1.Cl1.		12.0	853.3341	-1.6 mmu 
C31.H56.N7.O6.F7.P1.S1.Cl1.		7.0	853.3327	-0.2 mmu 
C30.H60.N3.O10.F7.P1.S1.Cl1.		2.0	853.3314	+1.1 mmu 
C40.H53.N5.F8.P1.S1.Cl1.		16.0	853.3320	+0.5 mmu 
C25.H49.N17.O1.F8.P1.S1.Cl1.		9.0	853.3325	-0.0 mmu 
C24.H53.N13.O5.F8.P1.S1.Cl1.		4.0	853.3312	+1.3 mmu 
C28.H57.N7.O7.F8.P1.S1.Cl1.		3.0	853.3339	-1.4 mmu 
C18.H46.N23.F9.P1.S1.Cl1.		6.0	853.3310	+1.5 mmu 
C37.H54.N5.O1.F9.P1.S1.Cl1.		12.0	853.3332	-0.7 mmu 
C22.H50.N17.O2.F9.P1.S1.Cl1.		5.0	853.3337	-1.2 mmu 
C36.H58.N1.O5.F9.P1.S1.Cl1.		7.0	853.3318	+0.7 mmu 
C21.H54.N13.O6.F9.P1.S1.Cl1.		0.0	853.3323	+0.2 mmu 
C30.H51.N11.F10.P1.S1.Cl1.		9.0	853.3316	+0.9 mmu 
C33.H59.N1.O6.F10.P1.S1.Cl1.		3.0	853.3330	-0.5 mmu 
C27.H52.N11.O1.F11.P1.S1.Cl1.		5.0	853.3328	-0.3 mmu 
C26.H56.N7.O5.F11.P1.S1.Cl1.		0.0	853.3314	+1.1 mmu 
C20.H49.N17.F12.P1.S1.Cl1.		2.0	853.3312	+1.3 mmu 
C24.H53.N11.O2.F12.P1.S1.Cl1.		1.0	853.3339	-1.4 mmu 
C44.H54.N9.O1.P2.S1.Cl1.		27.0	853.3336	-1.1 mmu 
C29.H50.N21.O2.P2.S1.Cl1.		20.0	853.3341	-1.6 mmu 
C43.H58.N5.O5.P2.S1.Cl1.		22.0	853.3322	+0.3 mmu 
C28.H54.N17.O6.P2.S1.Cl1.		15.0	853.3327	-0.2 mmu 
C42.H62.N1.O9.P2.S1.Cl1.		17.0	853.3309	+1.6 mmu 
C27.H58.N13.O10.P2.S1.Cl1.		10.0	853.3314	+1.1 mmu 
C31.H62.N7.O12.P2.S1.Cl1.		9.0	853.3341	-1.6 mmu 
C30.H66.N3.O16.P2.S1.Cl1.		4.0	853.3328	-0.3 mmu 
C37.H51.N15.F1.P2.S1.Cl1.		24.0	853.3320	+0.5 mmu 
C21.H51.N23.O5.F1.P2.S1.Cl1.		12.0	853.3312	+1.3 mmu 
C40.H59.N5.O6.F1.P2.S1.Cl1.		18.0	853.3334	-0.9 mmu 
C25.H55.N17.O7.F1.P2.S1.Cl1.		11.0	853.3339	-1.4 mmu 
C39.H63.N1.O10.F1.P2.S1.Cl1.		13.0	853.3320	+0.5 mmu 
C24.H59.N13.O11.F1.P2.S1.Cl1.		6.0	853.3325	-0.0 mmu 
C23.H63.N9.O15.F1.P2.S1.Cl1.		1.0	853.3312	+1.3 mmu 
C27.H67.N3.O17.F1.P2.S1.Cl1.		0.0	853.3339	-1.4 mmu 
C49.H56.N3.F2.P2.S1.Cl1.		27.0	853.3327	-0.2 mmu 
C34.H52.N15.O1.F2.P2.S1.Cl1.		20.0	853.3332	-0.7 mmu 
C33.H56.N11.O5.F2.P2.S1.Cl1.		15.0	853.3318	+0.7 mmu 
C18.H52.N23.O6.F2.P2.S1.Cl1.		8.0	853.3323	+0.2 mmu 
C36.H64.N1.O11.F2.P2.S1.Cl1.		9.0	853.3332	-0.7 mmu 
C21.H60.N13.O12.F2.P2.S1.Cl1.		2.0	853.3337	-1.2 mmu 
C27.H49.N21.F3.P2.S1.Cl1.		17.0	853.3316	+0.9 mmu 
C46.H57.N3.O1.F3.P2.S1.Cl1.		23.0	853.3338	-1.3 mmu 
C30.H57.N11.O6.F3.P2.S1.Cl1.		11.0	853.3330	-0.5 mmu 
C29.H61.N7.O10.F3.P2.S1.Cl1.		6.0	853.3316	+0.9 mmu 
C39.H54.N9.F4.P2.S1.Cl1.		20.0	853.3323	+0.2 mmu 
C24.H50.N21.O1.F4.P2.S1.Cl1.		13.0	853.3328	-0.3 mmu 
C38.H58.N5.O4.F4.P2.S1.Cl1.		15.0	853.3309	+1.6 mmu 
C23.H54.N17.O5.F4.P2.S1.Cl1.		8.0	853.3314	+1.1 mmu 
C27.H58.N11.O7.F4.P2.S1.Cl1.		7.0	853.3341	-1.6 mmu 
C26.H62.N7.O11.F4.P2.S1.Cl1.		2.0	853.3328	-0.3 mmu 
C36.H55.N9.O1.F5.P2.S1.Cl1.		16.0	853.3334	-0.9 mmu 
C21.H51.N21.O2.F5.P2.S1.Cl1.		9.0	853.3339	-1.4 mmu 
C35.H59.N5.O5.F5.P2.S1.Cl1.		11.0	853.3321	+0.4 mmu 
C20.H55.N17.O6.F5.P2.S1.Cl1.		4.0	853.3326	-0.1 mmu 
C29.H52.N15.F6.P2.S1.Cl1.		13.0	853.3319	+0.6 mmu 
C32.H60.N5.O6.F6.P2.S1.Cl1.		7.0	853.3332	-0.7 mmu 
C31.H64.N1.O10.F6.P2.S1.Cl1.		2.0	853.3319	+0.6 mmu 
C41.H57.N3.F7.P2.S1.Cl1.		16.0	853.3325	-0.0 mmu 
C26.H53.N15.O1.F7.P2.S1.Cl1.		9.0	853.3330	-0.5 mmu 
C25.H57.N11.O5.F7.P2.S1.Cl1.		4.0	853.3317	+0.8 mmu 
C19.H50.N21.F8.P2.S1.Cl1.		6.0	853.3315	+1.0 mmu 
C38.H58.N3.O1.F8.P2.S1.Cl1.		12.0	853.3337	-1.2 mmu 
C23.H54.N15.O2.F8.P2.S1.Cl1.		5.0	853.3342	-1.7 mmu 
C22.H58.N11.O6.F8.P2.S1.Cl1.		0.0	853.3328	-0.3 mmu 
C31.H55.N9.F9.P2.S1.Cl1.		9.0	853.3321	+0.4 mmu 
C28.H56.N9.O1.F10.P2.S1.Cl1.		5.0	853.3333	-0.8 mmu 
C27.H60.N5.O5.F10.P2.S1.Cl1.		0.0	853.3319	+0.6 mmu 
C21.H53.N15.F11.P2.S1.Cl1.		2.0	853.3317	+0.8 mmu 
C33.H58.N3.F12.P2.S1.Cl1.		5.0	853.3324	+0.1 mmu 
C38.H55.N13.P3.S1.Cl1.		24.0	853.3325	-0.0 mmu 
C23.H51.N25.O1.P3.S1.Cl1.		17.0	853.3330	-0.5 mmu 
C37.H59.N9.O4.P3.S1.Cl1.		19.0	853.3312	+1.3 mmu 
C22.H55.N21.O5.P3.S1.Cl1.		12.0	853.3317	+0.8 mmu 
C41.H63.N3.O6.P3.S1.Cl1.		18.0	853.3339	-1.4 mmu 
C25.H63.N11.O11.P3.S1.Cl1.		6.0	853.3331	-0.6 mmu 
C24.H67.N7.O15.P3.S1.Cl1.		1.0	853.3317	+0.8 mmu 
C50.H60.N1.F1.P3.S1.Cl1.		27.0	853.3332	-0.7 mmu 
C35.H56.N13.O1.F1.P3.S1.Cl1.		20.0	853.3337	-1.2 mmu 
C20.H52.N25.O2.F1.P3.S1.Cl1.		13.0	853.3342	-1.7 mmu 
C34.H60.N9.O5.F1.P3.S1.Cl1.		15.0	853.3324	+0.1 mmu 
C19.H56.N21.O6.F1.P3.S1.Cl1.		8.0	853.3329	-0.4 mmu 
C33.H64.N5.O9.F1.P3.S1.Cl1.		10.0	853.3310	+1.5 mmu 
C22.H64.N11.O12.F1.P3.S1.Cl1.		2.0	853.3342	-1.7 mmu 
C28.H53.N19.F2.P3.S1.Cl1.		17.0	853.3321	+0.4 mmu 
C27.H57.N15.O4.F2.P3.S1.Cl1.		12.0	853.3308	+1.7 mmu 
C31.H61.N9.O6.F2.P3.S1.Cl1.		11.0	853.3335	-1.0 mmu 
C30.H65.N5.O10.F2.P3.S1.Cl1.		6.0	853.3322	+0.3 mmu 
C29.H69.N1.O14.F2.P3.S1.Cl1.		1.0	853.3308	+1.7 mmu 
C40.H58.N7.F3.P3.S1.Cl1.		20.0	853.3328	-0.3 mmu 
C25.H54.N19.O1.F3.P3.S1.Cl1.		13.0	853.3333	-0.8 mmu 
C39.H62.N3.O4.F3.P3.S1.Cl1.		15.0	853.3315	+1.0 mmu 
C24.H58.N15.O5.F3.P3.S1.Cl1.		8.0	853.3320	+0.5 mmu 
C27.H66.N5.O11.F3.P3.S1.Cl1.		2.0	853.3333	-0.8 mmu 
C18.H51.N25.F4.P3.S1.Cl1.		10.0	853.3317	+0.8 mmu 
C37.H59.N7.O1.F4.P3.S1.Cl1.		16.0	853.3339	-1.4 mmu 
C36.H63.N3.O5.F4.P3.S1.Cl1.		11.0	853.3326	-0.1 mmu 
C21.H59.N15.O6.F4.P3.S1.Cl1.		4.0	853.3331	-0.6 mmu 
C30.H56.N13.F5.P3.S1.Cl1.		13.0	853.3324	+0.1 mmu 
C29.H60.N9.O4.F5.P3.S1.Cl1.		8.0	853.3311	+1.4 mmu 
C33.H64.N3.O6.F5.P3.S1.Cl1.		7.0	853.3337	-1.2 mmu 
C42.H61.N1.F6.P3.S1.Cl1.		16.0	853.3330	-0.5 mmu 
C27.H57.N13.O1.F6.P3.S1.Cl1.		9.0	853.3335	-1.0 mmu 
C26.H61.N9.O5.F6.P3.S1.Cl1.		4.0	853.3322	+0.3 mmu 
C20.H54.N19.F7.P3.S1.Cl1.		6.0	853.3320	+0.5 mmu 
C39.H62.N1.O1.F7.P3.S1.Cl1.		12.0	853.3342	-1.7 mmu 
C23.H62.N9.O6.F7.P3.S1.Cl1.		0.0	853.3333	-0.8 mmu 
C32.H59.N7.F8.P3.S1.Cl1.		9.0	853.3326	-0.1 mmu 
C31.H63.N3.O4.F8.P3.S1.Cl1.		4.0	853.3313	+1.2 mmu 
C29.H60.N7.O1.F9.P3.S1.Cl1.		5.0	853.3338	-1.3 mmu 
C28.H64.N3.O5.F9.P3.S1.Cl1.		0.0	853.3324	+0.1 mmu 
C22.H57.N13.F10.P3.S1.Cl1.		2.0	853.3322	+0.3 mmu 
C34.H62.N1.F11.P3.S1.Cl1.		5.0	853.3329	-0.4 mmu 
C31.H63.N1.O1.F12.P3.S1.Cl1.		1.0	853.3340	-1.5 mmu 
C36.H60.N11.O1.P4.S1.Cl1.		20.0	853.3342	-1.7 mmu 
C35.H64.N7.O5.P4.S1.Cl1.		15.0	853.3329	-0.4 mmu 
C20.H60.N19.O6.P4.S1.Cl1.		8.0	853.3334	-0.9 mmu 
C34.H68.N3.O9.P4.S1.Cl1.		10.0	853.3315	+1.0 mmu 
C29.H57.N17.F1.P4.S1.Cl1.		17.0	853.3327	-0.2 mmu 
C43.H65.N1.O3.F1.P4.S1.Cl1.		19.0	853.3308	+1.7 mmu 
C28.H61.N13.O4.F1.P4.S1.Cl1.		12.0	853.3313	+1.2 mmu 
C32.H65.N7.O6.F1.P4.S1.Cl1.		11.0	853.3340	-1.5 mmu 
C31.H69.N3.O10.F1.P4.S1.Cl1.		6.0	853.3327	-0.2 mmu 
C41.H62.N5.F2.P4.S1.Cl1.		20.0	853.3333	-0.8 mmu 
C26.H58.N17.O1.F2.P4.S1.Cl1.		13.0	853.3338	-1.3 mmu 
C40.H66.N1.O4.F2.P4.S1.Cl1.		15.0	853.3320	+0.5 mmu 
C25.H62.N13.O5.F2.P4.S1.Cl1.		8.0	853.3325	+0.0 mmu 
C24.H66.N9.O9.F2.P4.S1.Cl1.		3.0	853.3311	+1.4 mmu 
C28.H70.N3.O11.F2.P4.S1.Cl1.		2.0	853.3338	-1.3 mmu 
C19.H55.N23.F3.P4.S1.Cl1.		10.0	853.3323	+0.2 mmu 
C37.H67.N1.O5.F3.P4.S1.Cl1.		11.0	853.3331	-0.6 mmu 
C22.H63.N13.O6.F3.P4.S1.Cl1.		4.0	853.3336	-1.1 mmu 
C31.H60.N11.F4.P4.S1.Cl1.		13.0	853.3329	-0.4 mmu 
C30.H64.N7.O4.F4.P4.S1.Cl1.		8.0	853.3316	+0.9 mmu 
C28.H61.N11.O1.F5.P4.S1.Cl1.		9.0	853.3340	-1.5 mmu 
C27.H65.N7.O5.F5.P4.S1.Cl1.		4.0	853.3327	-0.2 mmu 
C21.H58.N17.F6.P4.S1.Cl1.		6.0	853.3325	+0.0 mmu 
C24.H66.N7.O6.F6.P4.S1.Cl1.		0.0	853.3338	-1.3 mmu 
C33.H63.N5.F7.P4.S1.Cl1.		9.0	853.3331	-0.6 mmu 
C32.H67.N1.O4.F7.P4.S1.Cl1.		4.0	853.3318	+0.7 mmu 
C29.H68.N1.O5.F8.P4.S1.Cl1.		0.0	853.3329	-0.4 mmu 
C23.H61.N11.F9.P4.S1.Cl1.		2.0	853.3327	-0.2 mmu 
C30.H61.N15.P5.S1.Cl1.		17.0	853.3332	-0.7 mmu 
C29.H65.N11.O4.P5.S1.Cl1.		12.0	853.3318	+0.7 mmu 
C32.H73.N1.O10.P5.S1.Cl1.		6.0	853.3332	-0.7 mmu 
C42.H66.N3.F1.P5.S1.Cl1.		20.0	853.3338	-1.3 mmu 
C26.H66.N11.O5.F1.P5.S1.Cl1.		8.0	853.3330	-0.5 mmu 
C25.H70.N7.O9.F1.P5.S1.Cl1.		3.0	853.3316	+0.9 mmu 
C20.H59.N21.F2.P5.S1.Cl1.		10.0	853.3328	-0.3 mmu 
C34.H67.N5.O3.F2.P5.S1.Cl1.		12.0	853.3309	+1.6 mmu 
C23.H67.N11.O6.F2.P5.S1.Cl1.		4.0	853.3341	-1.6 mmu 
C32.H64.N9.F3.P5.S1.Cl1.		13.0	853.3334	-0.9 mmu 
C31.H68.N5.O4.F3.P5.S1.Cl1.		8.0	853.3321	+0.4 mmu 
C28.H69.N5.O5.F4.P5.S1.Cl1.		4.0	853.3332	-0.7 mmu 
C22.H62.N15.F5.P5.S1.Cl1.		6.0	853.3330	-0.5 mmu 
C34.H67.N3.F6.P5.S1.Cl1.		9.0	853.3336	-1.1 mmu 
C24.H65.N9.F8.P5.S1.Cl1.		2.0	853.3332	-0.7 mmu 
C23.H66.N15.O3.P6.S1.Cl1.		9.0	853.3308	+1.7 mmu 
C27.H70.N9.O5.P6.S1.Cl1.		8.0	853.3335	-1.0 mmu 
C26.H74.N5.O9.P6.S1.Cl1.		3.0	853.3321	+0.4 mmu 
C21.H63.N19.F1.P6.S1.Cl1.		10.0	853.3333	-0.8 mmu 
C35.H71.N3.O3.F1.P6.S1.Cl1.		12.0	853.3314	+1.1 mmu 
C33.H68.N7.F2.P6.S1.Cl1.		13.0	853.3339	-1.4 mmu 
C32.H72.N3.O4.F2.P6.S1.Cl1.		8.0	853.3326	-0.1 mmu 
C25.H69.N9.O3.F3.P6.S1.Cl1.		5.0	853.3310	+1.5 mmu 
C29.H73.N3.O5.F3.P6.S1.Cl1.		4.0	853.3337	-1.2 mmu 
C23.H66.N13.F4.P6.S1.Cl1.		6.0	853.3335	-1.0 mmu 
C35.H71.N1.F5.P6.S1.Cl1.		9.0	853.3342	-1.7 mmu 
C27.H72.N3.O3.F6.P6.S1.Cl1.		1.0	853.3313	+1.2 mmu 
C25.H69.N7.F7.P6.S1.Cl1.		2.0	853.3338	-1.3 mmu 
C36.H75.N1.O3.P7.S1.Cl1.		12.0	853.3319	+0.6 mmu 
C33.H76.N1.O4.F1.P7.S1.Cl1.		8.0	853.3331	-0.6 mmu 
C26.H73.N7.O3.F2.P7.S1.Cl1.		5.0	853.3315	+1.0 mmu 
C24.H70.N11.F3.P7.S1.Cl1.		6.0	853.3340	-1.5 mmu 
C28.H76.N1.O3.F5.P7.S1.Cl1.		1.0	853.3318	+0.7 mmu 
C30.H76.N5.O2.P8.S1.Cl1.		9.0	853.3309	+1.6 mmu 
C27.H77.N5.O3.F1.P8.S1.Cl1.		5.0	853.3321	+0.4 mmu 
C30.H44.N25.S2.Cl1.		25.0	853.3341	-1.6 mmu 
C44.H52.N9.O3.S2.Cl1.		27.0	853.3323	+0.2 mmu 
C29.H48.N21.O4.S2.Cl1.		20.0	853.3328	-0.3 mmu 
C43.H56.N5.O7.S2.Cl1.		22.0	853.3310	+1.5 mmu 
C28.H52.N17.O8.S2.Cl1.		15.0	853.3315	+1.0 mmu 
C32.H56.N11.O10.S2.Cl1.		14.0	853.3342	-1.7 mmu 
C31.H60.N7.O14.S2.Cl1.		9.0	853.3328	-0.3 mmu 
C30.H64.N3.O18.S2.Cl1.		4.0	853.3315	+1.0 mmu 
C41.H53.N9.O4.F1.S2.Cl1.		23.0	853.3334	-0.9 mmu 
C26.H49.N21.O5.F1.S2.Cl1.		16.0	853.3340	-1.5 mmu 
C40.H57.N5.O8.F1.S2.Cl1.		18.0	853.3321	+0.4 mmu 
C25.H53.N17.O9.F1.S2.Cl1.		11.0	853.3326	-0.1 mmu 
C24.H57.N13.O13.F1.S2.Cl1.		6.0	853.3313	+1.2 mmu 
C28.H61.N7.O15.F1.S2.Cl1.		5.0	853.3340	-1.5 mmu 
C27.H65.N3.O19.F1.S2.Cl1.		0.0	853.3326	-0.1 mmu 
C49.H54.N3.O2.F2.S2.Cl1.		27.0	853.3314	+1.1 mmu 
C34.H50.N15.O3.F2.S2.Cl1.		20.0	853.3319	+0.6 mmu 
C18.H50.N23.O8.F2.S2.Cl1.		8.0	853.3311	+1.4 mmu 
C37.H58.N5.O9.F2.S2.Cl1.		14.0	853.3333	-0.8 mmu 
C22.H54.N17.O10.F2.S2.Cl1.		7.0	853.3338	-1.3 mmu 
C36.H62.N1.O13.F2.S2.Cl1.		9.0	853.3319	+0.6 mmu 
C21.H58.N13.O14.F2.S2.Cl1.		2.0	853.3324	+0.1 mmu 
C46.H55.N3.O3.F3.S2.Cl1.		23.0	853.3325	-0.0 mmu 
C31.H51.N15.O4.F3.S2.Cl1.		16.0	853.3330	-0.5 mmu 
C30.H55.N11.O8.F3.S2.Cl1.		11.0	853.3317	+0.8 mmu 
C33.H63.N1.O14.F3.S2.Cl1.		5.0	853.3331	-0.6 mmu 
C39.H52.N9.O2.F4.S2.Cl1.		20.0	853.3310	+1.5 mmu 
C24.H48.N21.O3.F4.S2.Cl1.		13.0	853.3315	+1.0 mmu 
C43.H56.N3.O4.F4.S2.Cl1.		19.0	853.3337	-1.2 mmu 
C28.H52.N15.O5.F4.S2.Cl1.		12.0	853.3342	-1.7 mmu 
C27.H56.N11.O9.F4.S2.Cl1.		7.0	853.3329	-0.4 mmu 
C26.H60.N7.O13.F4.S2.Cl1.		2.0	853.3315	+1.0 mmu 
C30.H64.N1.O15.F4.S2.Cl1.		1.0	853.3342	-1.7 mmu 
C22.H45.N25.F5.S2.Cl1.		14.0	853.3340	-1.5 mmu 
C36.H53.N9.O3.F5.S2.Cl1.		16.0	853.3321	+0.4 mmu 
C21.H49.N21.O4.F5.S2.Cl1.		9.0	853.3326	-0.1 mmu 
C35.H57.N5.O7.F5.S2.Cl1.		11.0	853.3308	+1.7 mmu 
C20.H53.N17.O8.F5.S2.Cl1.		4.0	853.3313	+1.2 mmu 
C24.H57.N11.O10.F5.S2.Cl1.		3.0	853.3340	-1.5 mmu 
C33.H54.N9.O4.F6.S2.Cl1.		12.0	853.3333	-0.8 mmu 
C18.H50.N21.O5.F6.S2.Cl1.		5.0	853.3338	-1.3 mmu 
C32.H58.N5.O8.F6.S2.Cl1.		7.0	853.3320	+0.5 mmu 
C41.H55.N3.O2.F7.S2.Cl1.		16.0	853.3312	+1.3 mmu 
C26.H51.N15.O3.F7.S2.Cl1.		9.0	853.3317	+0.8 mmu 
C29.H59.N5.O9.F7.S2.Cl1.		3.0	853.3331	-0.6 mmu 
C38.H56.N3.O3.F8.S2.Cl1.		12.0	853.3324	+0.1 mmu 
C23.H52.N15.O4.F8.S2.Cl1.		5.0	853.3329	-0.4 mmu 
C22.H56.N11.O8.F8.S2.Cl1.		0.0	853.3316	+0.9 mmu 
C31.H53.N9.O2.F9.S2.Cl1.		9.0	853.3308	+1.7 mmu 
C35.H57.N3.O4.F9.S2.Cl1.		8.0	853.3335	-1.0 mmu 
C20.H53.N15.O5.F9.S2.Cl1.		1.0	853.3340	-1.5 mmu 
C28.H54.N9.O3.F10.S2.Cl1.		5.0	853.3320	+0.5 mmu 
C25.H55.N9.O4.F11.S2.Cl1.		1.0	853.3331	-0.6 mmu 
C33.H56.N3.O2.F12.S2.Cl1.		5.0	853.3311	+1.4 mmu 
C38.H53.N13.O2.P1.S2.Cl1.		24.0	853.3313	+1.2 mmu 
C23.H49.N25.O3.P1.S2.Cl1.		17.0	853.3318	+0.7 mmu 
C42.H57.N7.O4.P1.S2.Cl1.		23.0	853.3340	-1.5 mmu 
C41.H61.N3.O8.P1.S2.Cl1.		18.0	853.3326	-0.1 mmu 
C26.H57.N15.O9.P1.S2.Cl1.		11.0	853.3331	-0.6 mmu 
C25.H61.N11.O13.P1.S2.Cl1.		6.0	853.3318	+0.7 mmu 
C28.H69.N1.O19.P1.S2.Cl1.		0.0	853.3331	-0.6 mmu 
C50.H58.N1.O2.F1.P1.S2.Cl1.		27.0	853.3319	+0.6 mmu 
C35.H54.N13.O3.F1.P1.S2.Cl1.		20.0	853.3324	+0.1 mmu 
C20.H50.N25.O4.F1.P1.S2.Cl1.		13.0	853.3329	-0.4 mmu 
C34.H58.N9.O7.F1.P1.S2.Cl1.		15.0	853.3311	+1.4 mmu 
C19.H54.N21.O8.F1.P1.S2.Cl1.		8.0	853.3316	+0.9 mmu 
C38.H62.N3.O9.F1.P1.S2.Cl1.		14.0	853.3338	-1.3 mmu 
C22.H62.N11.O14.F1.P1.S2.Cl1.		2.0	853.3329	-0.4 mmu 
C28.H51.N19.O2.F2.P1.S2.Cl1.		17.0	853.3309	+1.6 mmu 
C47.H59.N1.O3.F2.P1.S2.Cl1.		23.0	853.3331	-0.6 mmu 
C32.H55.N13.O4.F2.P1.S2.Cl1.		16.0	853.3336	-1.1 mmu 
C17.H51.N25.O5.F2.P1.S2.Cl1.		9.0	853.3341	-1.6 mmu 
C31.H59.N9.O8.F2.P1.S2.Cl1.		11.0	853.3322	+0.3 mmu 
C30.H63.N5.O12.F2.P1.S2.Cl1.		6.0	853.3309	+1.6 mmu 
C40.H56.N7.O2.F3.P1.S2.Cl1.		20.0	853.3315	+1.0 mmu 
C25.H52.N19.O3.F3.P1.S2.Cl1.		13.0	853.3320	+0.5 mmu 
C44.H60.N1.O4.F3.P1.S2.Cl1.		19.0	853.3342	-1.7 mmu 
C28.H60.N9.O9.F3.P1.S2.Cl1.		7.0	853.3334	-0.9 mmu 
C27.H64.N5.O13.F3.P1.S2.Cl1.		2.0	853.3320	+0.5 mmu 
C37.H57.N7.O3.F4.P1.S2.Cl1.		16.0	853.3327	-0.2 mmu 
C22.H53.N19.O4.F4.P1.S2.Cl1.		9.0	853.3332	-0.7 mmu 
C36.H61.N3.O7.F4.P1.S2.Cl1.		11.0	853.3313	+1.2 mmu 
C21.H57.N15.O8.F4.P1.S2.Cl1.		4.0	853.3318	+0.7 mmu 
C30.H54.N13.O2.F5.P1.S2.Cl1.		13.0	853.3311	+1.4 mmu 
C34.H58.N7.O4.F5.P1.S2.Cl1.		12.0	853.3338	-1.3 mmu 
C33.H62.N3.O8.F5.P1.S2.Cl1.		7.0	853.3325	+0.0 mmu 
C42.H59.N1.O2.F6.P1.S2.Cl1.		16.0	853.3318	+0.7 mmu 
C27.H55.N13.O3.F6.P1.S2.Cl1.		9.0	853.3323	+0.2 mmu 
C26.H59.N9.O7.F6.P1.S2.Cl1.		4.0	853.3309	+1.6 mmu 
C30.H63.N3.O9.F6.P1.S2.Cl1.		3.0	853.3336	-1.1 mmu 
C39.H60.N1.O3.F7.P1.S2.Cl1.		12.0	853.3329	-0.4 mmu 
C24.H56.N13.O4.F7.P1.S2.Cl1.		5.0	853.3334	-0.9 mmu 
C23.H60.N9.O8.F7.P1.S2.Cl1.		0.0	853.3321	+0.4 mmu 
C32.H57.N7.O2.F8.P1.S2.Cl1.		9.0	853.3314	+1.1 mmu 
C36.H61.N1.O4.F8.P1.S2.Cl1.		8.0	853.3340	-1.5 mmu 
C29.H58.N7.O3.F9.P1.S2.Cl1.		5.0	853.3325	+0.0 mmu 
C28.H62.N3.O7.F9.P1.S2.Cl1.		0.0	853.3312	+1.3 mmu 
C22.H55.N13.O2.F10.P1.S2.Cl1.		2.0	853.3310	+1.5 mmu 
C26.H59.N7.O4.F10.P1.S2.Cl1.		1.0	853.3336	-1.1 mmu 
C34.H60.N1.O2.F11.P1.S2.Cl1.		5.0	853.3316	+0.9 mmu 
C31.H61.N1.O3.F12.P1.S2.Cl1.		1.0	853.3327	-0.2 mmu 
C36.H58.N11.O3.P2.S2.Cl1.		20.0	853.3329	-0.4 mmu 
C21.H54.N23.O4.P2.S2.Cl1.		13.0	853.3334	-0.9 mmu 
C35.H62.N7.O7.P2.S2.Cl1.		15.0	853.3316	+0.9 mmu 
C20.H58.N19.O8.P2.S2.Cl1.		8.0	853.3321	+0.4 mmu 
C23.H66.N9.O14.P2.S2.Cl1.		2.0	853.3334	-0.9 mmu 
C44.H59.N5.O1.F1.P2.S2.Cl1.		24.0	853.3309	+1.6 mmu 
C29.H55.N17.O2.F1.P2.S2.Cl1.		17.0	853.3314	+1.1 mmu 
C33.H59.N11.O4.F1.P2.S2.Cl1.		16.0	853.3341	-1.6 mmu 
C32.H63.N7.O8.F1.P2.S2.Cl1.		11.0	853.3327	-0.2 mmu 
C31.H67.N3.O12.F1.P2.S2.Cl1.		6.0	853.3314	+1.1 mmu 
C41.H60.N5.O2.F2.P2.S2.Cl1.		20.0	853.3320	+0.5 mmu 
C26.H56.N17.O3.F2.P2.S2.Cl1.		13.0	853.3325	-0.0 mmu 
C25.H60.N13.O7.F2.P2.S2.Cl1.		8.0	853.3312	+1.3 mmu 
C29.H64.N7.O9.F2.P2.S2.Cl1.		7.0	853.3339	-1.4 mmu 
C28.H68.N3.O13.F2.P2.S2.Cl1.		2.0	853.3325	-0.0 mmu 
C19.H53.N23.O2.F3.P2.S2.Cl1.		10.0	853.3310	+1.5 mmu 
C38.H61.N5.O3.F3.P2.S2.Cl1.		16.0	853.3332	-0.7 mmu 
C23.H57.N17.O4.F3.P2.S2.Cl1.		9.0	853.3337	-1.2 mmu 
C37.H65.N1.O7.F3.P2.S2.Cl1.		11.0	853.3318	+0.7 mmu 
C22.H61.N13.O8.F3.P2.S2.Cl1.		4.0	853.3323	+0.2 mmu 
C31.H58.N11.O2.F4.P2.S2.Cl1.		13.0	853.3316	+0.9 mmu 
C34.H66.N1.O8.F4.P2.S2.Cl1.		7.0	853.3330	-0.5 mmu 
C28.H59.N11.O3.F5.P2.S2.Cl1.		9.0	853.3328	-0.3 mmu 
C27.H63.N7.O7.F5.P2.S2.Cl1.		4.0	853.3314	+1.1 mmu 
C31.H67.N1.O9.F5.P2.S2.Cl1.		3.0	853.3341	-1.6 mmu 
C21.H56.N17.O2.F6.P2.S2.Cl1.		6.0	853.3312	+1.3 mmu 
C25.H60.N11.O4.F6.P2.S2.Cl1.		5.0	853.3339	-1.4 mmu 
C24.H64.N7.O8.F6.P2.S2.Cl1.		0.0	853.3326	-0.1 mmu 
C33.H61.N5.O2.F7.P2.S2.Cl1.		9.0	853.3319	+0.6 mmu 
C30.H62.N5.O3.F8.P2.S2.Cl1.		5.0	853.3330	-0.5 mmu 
C29.H66.N1.O7.F8.P2.S2.Cl1.		0.0	853.3317	+0.8 mmu 
C23.H59.N11.O2.F9.P2.S2.Cl1.		2.0	853.3315	+1.0 mmu 
C27.H63.N5.O4.F9.P2.S2.Cl1.		1.0	853.3342	-1.7 mmu 
C45.H63.N3.O1.P3.S2.Cl1.		24.0	853.3314	+1.1 mmu 
C30.H59.N15.O2.P3.S2.Cl1.		17.0	853.3319	+0.6 mmu 
C33.H67.N5.O8.P3.S2.Cl1.		11.0	853.3332	-0.7 mmu 
C32.H71.N1.O12.P3.S2.Cl1.		6.0	853.3319	+0.6 mmu 
C42.H64.N3.O2.F1.P3.S2.Cl1.		20.0	853.3325	-0.0 mmu 
C27.H60.N15.O3.F1.P3.S2.Cl1.		13.0	853.3330	-0.5 mmu 
C26.H64.N11.O7.F1.P3.S2.Cl1.		8.0	853.3317	+0.8 mmu 
C29.H72.N1.O13.F1.P3.S2.Cl1.		2.0	853.3330	-0.5 mmu 
C35.H61.N9.O1.F2.P3.S2.Cl1.		17.0	853.3310	+1.5 mmu 
C20.H57.N21.O2.F2.P3.S2.Cl1.		10.0	853.3315	+1.0 mmu 
C39.H65.N3.O3.F2.P3.S2.Cl1.		16.0	853.3337	-1.2 mmu 
C24.H61.N15.O4.F2.P3.S2.Cl1.		9.0	853.3342	-1.7 mmu 
C23.H65.N11.O8.F2.P3.S2.Cl1.		4.0	853.3328	-0.3 mmu 
C32.H62.N9.O2.F3.P3.S2.Cl1.		13.0	853.3321	+0.4 mmu 
C31.H66.N5.O6.F3.P3.S2.Cl1.		8.0	853.3308	+1.7 mmu 
C29.H63.N9.O3.F4.P3.S2.Cl1.		9.0	853.3333	-0.8 mmu 
C28.H67.N5.O7.F4.P3.S2.Cl1.		4.0	853.3319	+0.6 mmu 
C37.H64.N3.O1.F5.P3.S2.Cl1.		13.0	853.3312	+1.3 mmu 
C22.H60.N15.O2.F5.P3.S2.Cl1.		6.0	853.3317	+0.8 mmu 
C25.H68.N5.O8.F5.P3.S2.Cl1.		0.0	853.3331	-0.6 mmu 
C34.H65.N3.O2.F6.P3.S2.Cl1.		9.0	853.3324	+0.1 mmu 
C27.H62.N9.O1.F7.P3.S2.Cl1.		6.0	853.3308	+1.7 mmu 
C31.H66.N3.O3.F7.P3.S2.Cl1.		5.0	853.3335	-1.0 mmu 
C24.H63.N9.O2.F8.P3.S2.Cl1.		2.0	853.3320	+0.5 mmu 
C29.H65.N3.O1.F10.P3.S2.Cl1.		2.0	853.3311	+1.4 mmu 
C24.H60.N19.O1.P4.S2.Cl1.		14.0	853.3309	+1.6 mmu 
C43.H68.N1.O2.P4.S2.Cl1.		20.0	853.3330	-0.5 mmu 
C28.H64.N13.O3.P4.S2.Cl1.		13.0	853.3335	-1.0 mmu 
C27.H68.N9.O7.P4.S2.Cl1.		8.0	853.3322	+0.3 mmu 
C26.H72.N5.O11.P4.S2.Cl1.		3.0	853.3309	+1.6 mmu 
C36.H65.N7.O1.F1.P4.S2.Cl1.		17.0	853.3315	+1.0 mmu 
C21.H61.N19.O2.F1.P4.S2.Cl1.		10.0	853.3320	+0.5 mmu 
C40.H69.N1.O3.F1.P4.S2.Cl1.		16.0	853.3342	-1.7 mmu 
C24.H69.N9.O8.F1.P4.S2.Cl1.		4.0	853.3334	-0.9 mmu 
C33.H66.N7.O2.F2.P4.S2.Cl1.		13.0	853.3326	-0.1 mmu 
C32.H70.N3.O6.F2.P4.S2.Cl1.		8.0	853.3313	+1.2 mmu 
C26.H63.N13.O1.F3.P4.S2.Cl1.		10.0	853.3311	+1.4 mmu 
C30.H67.N7.O3.F3.P4.S2.Cl1.		9.0	853.3338	-1.3 mmu 
C29.H71.N3.O7.F3.P4.S2.Cl1.		4.0	853.3325	+0.0 mmu 
C38.H68.N1.O1.F4.P4.S2.Cl1.		13.0	853.3317	+0.8 mmu 
C23.H64.N13.O2.F4.P4.S2.Cl1.		6.0	853.3322	+0.3 mmu 
C26.H72.N3.O8.F4.P4.S2.Cl1.		0.0	853.3336	-1.1 mmu 
C35.H69.N1.O2.F5.P4.S2.Cl1.		9.0	853.3329	-0.4 mmu 
C28.H66.N7.O1.F6.P4.S2.Cl1.		6.0	853.3313	+1.2 mmu 
C32.H70.N1.O3.F6.P4.S2.Cl1.		5.0	853.3340	-1.5 mmu 
C25.H67.N7.O2.F7.P4.S2.Cl1.		2.0	853.3325	+0.0 mmu 
C30.H69.N1.O1.F9.P4.S2.Cl1.		2.0	853.3316	+0.9 mmu 
C37.H69.N5.O1.P5.S2.Cl1.		17.0	853.3320	+0.5 mmu 
C22.H65.N17.O2.P5.S2.Cl1.		10.0	853.3325	-0.0 mmu 
C25.H73.N7.O8.P5.S2.Cl1.		4.0	853.3339	-1.4 mmu 
C34.H70.N5.O2.F1.P5.S2.Cl1.		13.0	853.3332	-0.7 mmu 
C33.H74.N1.O6.F1.P5.S2.Cl1.		8.0	853.3318	+0.7 mmu 
C27.H67.N11.O1.F2.P5.S2.Cl1.		10.0	853.3316	+0.9 mmu 
C30.H75.N1.O7.F2.P5.S2.Cl1.		4.0	853.3330	-0.5 mmu 
C24.H68.N11.O2.F3.P5.S2.Cl1.		6.0	853.3328	-0.3 mmu 
C27.H76.N1.O8.F3.P5.S2.Cl1.		0.0	853.3341	-1.6 mmu 
C29.H70.N5.O1.F5.P5.S2.Cl1.		6.0	853.3319	+0.6 mmu 
C26.H71.N5.O2.F6.P5.S2.Cl1.		2.0	853.3330	-0.5 mmu 
C31.H70.N9.P6.S2.Cl1.		14.0	853.3310	+1.5 mmu 
C35.H74.N3.O2.P6.S2.Cl1.		13.0	853.3337	-1.2 mmu 
C28.H71.N9.O1.F1.P6.S2.Cl1.		10.0	853.3321	+0.4 mmu 
C25.H72.N9.O2.F2.P6.S2.Cl1.		6.0	853.3333	-0.8 mmu 
C33.H73.N3.F3.P6.S2.Cl1.		10.0	853.3312	+1.3 mmu 
C30.H74.N3.O1.F4.P6.S2.Cl1.		6.0	853.3324	+0.1 mmu 
C27.H75.N3.O2.F5.P6.S2.Cl1.		2.0	853.3335	-1.0 mmu 
C29.H75.N7.O1.P7.S2.Cl1.		10.0	853.3326	-0.1 mmu 
C28.H79.N3.O5.P7.S2.Cl1.		5.0	853.3313	+1.2 mmu 
C26.H76.N7.O2.F1.P7.S2.Cl1.		6.0	853.3338	-1.3 mmu 
C34.H77.N1.F2.P7.S2.Cl1.		10.0	853.3317	+0.8 mmu 
C31.H78.N1.O1.F3.P7.S2.Cl1.		6.0	853.3329	-0.4 mmu 
C28.H79.N1.O2.F4.P7.S2.Cl1.		2.0	853.3340	-1.5 mmu 
C52.H56.N3.S3.Cl1.		32.0	853.3325	+0.0 mmu 
C37.H52.N15.O1.S3.Cl1.		25.0	853.3330	-0.5 mmu 
C36.H56.N11.O5.S3.Cl1.		20.0	853.3317	+0.8 mmu 
C21.H52.N23.O6.S3.Cl1.		13.0	853.3322	+0.3 mmu 
C20.H56.N19.O10.S3.Cl1.		8.0	853.3308	+1.7 mmu 
C39.H64.N1.O11.S3.Cl1.		14.0	853.3330	-0.5 mmu 
C24.H60.N13.O12.S3.Cl1.		7.0	853.3335	-1.0 mmu 
C23.H64.N9.O16.S3.Cl1.		2.0	853.3322	+0.3 mmu 
C30.H49.N21.F1.S3.Cl1.		22.0	853.3314	+1.1 mmu 
C49.H57.N3.O1.F1.S3.Cl1.		28.0	853.3336	-1.1 mmu 
C34.H53.N15.O2.F1.S3.Cl1.		21.0	853.3341	-1.6 mmu 
C33.H57.N11.O6.F1.S3.Cl1.		16.0	853.3328	-0.3 mmu 
C18.H53.N23.O7.F1.S3.Cl1.		9.0	853.3333	-0.8 mmu 
C32.H61.N7.O10.F1.S3.Cl1.		11.0	853.3315	+1.0 mmu 
C36.H65.N1.O12.F1.S3.Cl1.		10.0	853.3341	-1.6 mmu 
C42.H54.N9.F2.S3.Cl1.		25.0	853.3321	+0.4 mmu 
C27.H50.N21.O1.F2.S3.Cl1.		18.0	853.3326	-0.1 mmu 
C26.H54.N17.O5.F2.S3.Cl1.		13.0	853.3313	+1.2 mmu 
C30.H58.N11.O7.F2.S3.Cl1.		12.0	853.3339	-1.4 mmu 
C29.H62.N7.O11.F2.S3.Cl1.		7.0	853.3326	-0.1 mmu 
C28.H66.N3.O15.F2.S3.Cl1.		2.0	853.3313	+1.2 mmu 
C39.H55.N9.O1.F3.S3.Cl1.		21.0	853.3332	-0.7 mmu 
C24.H51.N21.O2.F3.S3.Cl1.		14.0	853.3337	-1.2 mmu 
C38.H59.N5.O5.F3.S3.Cl1.		16.0	853.3319	+0.6 mmu 
C23.H55.N17.O6.F3.S3.Cl1.		9.0	853.3324	+0.1 mmu 
C22.H59.N13.O10.F3.S3.Cl1.		4.0	853.3311	+1.4 mmu 
C26.H63.N7.O12.F3.S3.Cl1.		3.0	853.3337	-1.2 mmu 
C32.H52.N15.F4.S3.Cl1.		18.0	853.3317	+0.8 mmu 
C35.H60.N5.O6.F4.S3.Cl1.		12.0	853.3330	-0.5 mmu 
C20.H56.N17.O7.F4.S3.Cl1.		5.0	853.3335	-1.0 mmu 
C34.H64.N1.O10.F4.S3.Cl1.		7.0	853.3317	+0.8 mmu 
C44.H57.N3.F5.S3.Cl1.		21.0	853.3323	+0.2 mmu 
C29.H53.N15.O1.F5.S3.Cl1.		14.0	853.3328	-0.3 mmu 
C28.H57.N11.O5.F5.S3.Cl1.		9.0	853.3315	+1.0 mmu 
C32.H61.N5.O7.F5.S3.Cl1.		8.0	853.3342	-1.7 mmu 
C31.H65.N1.O11.F5.S3.Cl1.		3.0	853.3328	-0.3 mmu 
C22.H50.N21.F6.S3.Cl1.		11.0	853.3313	+1.2 mmu 
C41.H58.N3.O1.F6.S3.Cl1.		17.0	853.3335	-1.0 mmu 
C26.H54.N15.O2.F6.S3.Cl1.		10.0	853.3340	-1.5 mmu 
C25.H58.N11.O6.F6.S3.Cl1.		5.0	853.3326	-0.1 mmu 
C24.H62.N7.O10.F6.S3.Cl1.		0.0	853.3313	+1.2 mmu 
C34.H55.N9.F7.S3.Cl1.		14.0	853.3319	+0.6 mmu 
C19.H51.N21.O1.F7.S3.Cl1.		7.0	853.3324	+0.1 mmu 
C22.H59.N11.O7.F7.S3.Cl1.		1.0	853.3338	-1.3 mmu 
C31.H56.N9.O1.F8.S3.Cl1.		10.0	853.3331	-0.6 mmu 
C30.H60.N5.O5.F8.S3.Cl1.		5.0	853.3317	+0.8 mmu 
C24.H53.N15.F9.S3.Cl1.		7.0	853.3315	+1.0 mmu 
C27.H61.N5.O6.F9.S3.Cl1.		1.0	853.3329	-0.4 mmu 
C36.H58.N3.F10.S3.Cl1.		10.0	853.3322	+0.3 mmu 
C21.H54.N15.O1.F10.S3.Cl1.		3.0	853.3327	-0.2 mmu 
C33.H59.N3.O1.F11.S3.Cl1.		6.0	853.3333	-0.8 mmu 
C26.H56.N9.F12.S3.Cl1.		3.0	853.3318	+0.7 mmu 
C31.H53.N19.P1.S3.Cl1.		22.0	853.3320	+0.5 mmu 
C50.H61.N1.O1.P1.S3.Cl1.		28.0	853.3341	-1.6 mmu 
C34.H61.N9.O6.P1.S3.Cl1.		16.0	853.3333	-0.8 mmu 
C19.H57.N21.O7.P1.S3.Cl1.		9.0	853.3338	-1.3 mmu 
C33.H65.N5.O10.P1.S3.Cl1.		11.0	853.3320	+0.5 mmu 
C43.H58.N7.F1.P1.S3.Cl1.		25.0	853.3326	-0.1 mmu 
C28.H54.N19.O1.F1.P1.S3.Cl1.		18.0	853.3331	-0.6 mmu 
C42.H62.N3.O4.F1.P1.S3.Cl1.		20.0	853.3313	+1.2 mmu 
C27.H58.N15.O5.F1.P1.S3.Cl1.		13.0	853.3318	+0.7 mmu 
C30.H66.N5.O11.F1.P1.S3.Cl1.		7.0	853.3331	-0.6 mmu 
C29.H70.N1.O15.F1.P1.S3.Cl1.		2.0	853.3318	+0.7 mmu 
C21.H51.N25.F2.P1.S3.Cl1.		15.0	853.3316	+0.9 mmu 
C40.H59.N7.O1.F2.P1.S3.Cl1.		21.0	853.3337	-1.2 mmu 
C39.H63.N3.O5.F2.P1.S3.Cl1.		16.0	853.3324	+0.1 mmu 
C24.H59.N15.O6.F2.P1.S3.Cl1.		9.0	853.3329	-0.4 mmu 
C23.H63.N11.O10.F2.P1.S3.Cl1.		4.0	853.3316	+0.9 mmu 
C33.H56.N13.F3.P1.S3.Cl1.		18.0	853.3322	+0.3 mmu 
C18.H52.N25.O1.F3.P1.S3.Cl1.		11.0	853.3327	-0.2 mmu 
C32.H60.N9.O4.F3.P1.S3.Cl1.		13.0	853.3309	+1.6 mmu 
C36.H64.N3.O6.F3.P1.S3.Cl1.		12.0	853.3335	-1.0 mmu 
C21.H60.N15.O7.F3.P1.S3.Cl1.		5.0	853.3341	-1.6 mmu 
C45.H61.N1.F4.P1.S3.Cl1.		21.0	853.3328	-0.3 mmu 
C30.H57.N13.O1.F4.P1.S3.Cl1.		14.0	853.3333	-0.8 mmu 
C29.H61.N9.O5.F4.P1.S3.Cl1.		9.0	853.3320	+0.5 mmu 
C23.H54.N19.F5.P1.S3.Cl1.		11.0	853.3318	+0.7 mmu 
C42.H62.N1.O1.F5.P1.S3.Cl1.		17.0	853.3340	-1.5 mmu 
C26.H62.N9.O6.F5.P1.S3.Cl1.		5.0	853.3331	-0.6 mmu 
C25.H66.N5.O10.F5.P1.S3.Cl1.		0.0	853.3318	+0.7 mmu 
C35.H59.N7.F6.P1.S3.Cl1.		14.0	853.3324	+0.1 mmu 
C20.H55.N19.O1.F6.P1.S3.Cl1.		7.0	853.3329	-0.4 mmu 
C34.H63.N3.O4.F6.P1.S3.Cl1.		9.0	853.3311	+1.4 mmu 
C32.H60.N7.O1.F7.P1.S3.Cl1.		10.0	853.3336	-1.1 mmu 
C31.H64.N3.O5.F7.P1.S3.Cl1.		5.0	853.3322	+0.3 mmu 
C25.H57.N13.F8.P1.S3.Cl1.		7.0	853.3320	+0.5 mmu 
C28.H65.N3.O6.F8.P1.S3.Cl1.		1.0	853.3334	-0.9 mmu 
C37.H62.N1.F9.P1.S3.Cl1.		10.0	853.3327	-0.2 mmu 
C22.H58.N13.O1.F9.P1.S3.Cl1.		3.0	853.3332	-0.7 mmu 
C34.H63.N1.O1.F10.P1.S3.Cl1.		6.0	853.3338	-1.3 mmu 
C27.H60.N7.F11.P1.S3.Cl1.		3.0	853.3323	+0.2 mmu 
C44.H62.N5.P2.S3.Cl1.		25.0	853.3331	-0.6 mmu 
C29.H58.N17.O1.P2.S3.Cl1.		18.0	853.3336	-1.1 mmu 
C43.H66.N1.O4.P2.S3.Cl1.		20.0	853.3318	+0.7 mmu 
C28.H62.N13.O5.P2.S3.Cl1.		13.0	853.3323	+0.2 mmu 
C27.H66.N9.O9.P2.S3.Cl1.		8.0	853.3309	+1.6 mmu 
C31.H70.N3.O11.P2.S3.Cl1.		7.0	853.3336	-1.1 mmu 
C22.H55.N23.F1.P2.S3.Cl1.		15.0	853.3321	+0.4 mmu 
C40.H67.N1.O5.F1.P2.S3.Cl1.		16.0	853.3329	-0.4 mmu 
C25.H63.N13.O6.F1.P2.S3.Cl1.		9.0	853.3334	-0.9 mmu 
C24.H67.N9.O10.F1.P2.S3.Cl1.		4.0	853.3321	+0.4 mmu 
C34.H60.N11.F2.P2.S3.Cl1.		18.0	853.3327	-0.2 mmu 
C19.H56.N23.O1.F2.P2.S3.Cl1.		11.0	853.3332	-0.7 mmu 
C33.H64.N7.O4.F2.P2.S3.Cl1.		13.0	853.3314	+1.1 mmu 
C37.H68.N1.O6.F2.P2.S3.Cl1.		12.0	853.3341	-1.6 mmu 
C31.H61.N11.O1.F3.P2.S3.Cl1.		14.0	853.3339	-1.4 mmu 
C30.H65.N7.O5.F3.P2.S3.Cl1.		9.0	853.3325	-0.0 mmu 
C29.H69.N3.O9.F3.P2.S3.Cl1.		4.0	853.3312	+1.3 mmu 
C24.H58.N17.F4.P2.S3.Cl1.		11.0	853.3323	+0.2 mmu 
C23.H62.N13.O4.F4.P2.S3.Cl1.		6.0	853.3310	+1.5 mmu 
C27.H66.N7.O6.F4.P2.S3.Cl1.		5.0	853.3337	-1.2 mmu 
C26.H70.N3.O10.F4.P2.S3.Cl1.		0.0	853.3323	+0.2 mmu 
C36.H63.N5.F5.P2.S3.Cl1.		14.0	853.3330	-0.5 mmu 
C21.H59.N17.O1.F5.P2.S3.Cl1.		7.0	853.3335	-1.0 mmu 
C35.H67.N1.O4.F5.P2.S3.Cl1.		9.0	853.3316	+0.9 mmu 
C33.H64.N5.O1.F6.P2.S3.Cl1.		10.0	853.3341	-1.6 mmu 
C32.H68.N1.O5.F6.P2.S3.Cl1.		5.0	853.3328	-0.3 mmu 
C26.H61.N11.F7.P2.S3.Cl1.		7.0	853.3326	-0.1 mmu 
C25.H65.N7.O4.F7.P2.S3.Cl1.		2.0	853.3312	+1.3 mmu 
C29.H69.N1.O6.F7.P2.S3.Cl1.		1.0	853.3339	-1.4 mmu 
C23.H62.N11.O1.F8.P2.S3.Cl1.		3.0	853.3337	-1.2 mmu 
C28.H64.N5.F10.P2.S3.Cl1.		3.0	853.3328	-0.3 mmu 
C23.H59.N21.P3.S3.Cl1.		15.0	853.3326	-0.1 mmu 
C22.H63.N17.O4.P3.S3.Cl1.		10.0	853.3312	+1.3 mmu 
C26.H67.N11.O6.P3.S3.Cl1.		9.0	853.3339	-1.4 mmu 
C25.H71.N7.O10.P3.S3.Cl1.		4.0	853.3326	-0.1 mmu 
C35.H64.N9.F1.P3.S3.Cl1.		18.0	853.3332	-0.7 mmu 
C20.H60.N21.O1.F1.P3.S3.Cl1.		11.0	853.3337	-1.2 mmu 
C34.H68.N5.O4.F1.P3.S3.Cl1.		13.0	853.3319	+0.6 mmu 
C31.H69.N5.O5.F2.P3.S3.Cl1.		9.0	853.3330	-0.5 mmu 
C30.H73.N1.O9.F2.P3.S3.Cl1.		4.0	853.3317	+0.8 mmu 
C25.H62.N15.F3.P3.S3.Cl1.		11.0	853.3328	-0.3 mmu 
C24.H66.N11.O4.F3.P3.S3.Cl1.		6.0	853.3315	+1.0 mmu 
C28.H70.N5.O6.F3.P3.S3.Cl1.		5.0	853.3342	-1.7 mmu 
C27.H74.N1.O10.F3.P3.S3.Cl1.		0.0	853.3328	-0.3 mmu 
C37.H67.N3.F4.P3.S3.Cl1.		14.0	853.3335	-1.0 mmu 
C22.H63.N15.O1.F4.P3.S3.Cl1.		7.0	853.3340	-1.5 mmu 
C27.H65.N9.F6.P3.S3.Cl1.		7.0	853.3331	-0.6 mmu 
C26.H69.N5.O4.F6.P3.S3.Cl1.		2.0	853.3317	+0.8 mmu 
C24.H66.N9.O1.F7.P3.S3.Cl1.		3.0	853.3342	-1.7 mmu 
C29.H68.N3.F9.P3.S3.Cl1.		3.0	853.3333	-0.8 mmu 
C36.H68.N7.P4.S3.Cl1.		18.0	853.3337	-1.2 mmu 
C35.H72.N3.O4.P4.S3.Cl1.		13.0	853.3324	+0.1 mmu 
C28.H69.N9.O3.F1.P4.S3.Cl1.		10.0	853.3309	+1.6 mmu 
C32.H73.N3.O5.F1.P4.S3.Cl1.		9.0	853.3335	-1.0 mmu 
C26.H66.N13.F2.P4.S3.Cl1.		11.0	853.3333	-0.8 mmu 
C25.H70.N9.O4.F2.P4.S3.Cl1.		6.0	853.3320	+0.5 mmu 
C38.H71.N1.F3.P4.S3.Cl1.		14.0	853.3340	-1.5 mmu 
C30.H72.N3.O3.F4.P4.S3.Cl1.		6.0	853.3311	+1.4 mmu 
C28.H69.N7.F5.P4.S3.Cl1.		7.0	853.3336	-1.1 mmu 
C27.H73.N3.O4.F5.P4.S3.Cl1.		2.0	853.3322	+0.3 mmu 
C30.H72.N1.F8.P4.S3.Cl1.		3.0	853.3338	-1.3 mmu 
C29.H73.N7.O3.P5.S3.Cl1.		10.0	853.3314	+1.1 mmu 
C33.H77.N1.O5.P5.S3.Cl1.		9.0	853.3340	-1.5 mmu 
C27.H70.N11.F1.P5.S3.Cl1.		11.0	853.3338	-1.3 mmu 
C26.H74.N7.O4.F1.P5.S3.Cl1.		6.0	853.3325	-0.0 mmu 
C31.H76.N1.O3.F3.P5.S3.Cl1.		6.0	853.3316	+0.9 mmu 
C29.H73.N5.F4.P5.S3.Cl1.		7.0	853.3341	-1.6 mmu 
C28.H77.N1.O4.F4.P5.S3.Cl1.		2.0	853.3327	-0.2 mmu 
C27.H78.N5.O4.P6.S3.Cl1.		6.0	853.3330	-0.5 mmu 
C44.H60.N5.O2.S4.Cl1.		25.0	853.3318	+0.7 mmu 
C29.H56.N17.O3.S4.Cl1.		18.0	853.3323	+0.2 mmu 
C28.H60.N13.O7.S4.Cl1.		13.0	853.3310	+1.5 mmu 
C32.H64.N7.O9.S4.Cl1.		12.0	853.3337	-1.2 mmu 
C31.H68.N3.O13.S4.Cl1.		7.0	853.3323	+0.2 mmu 
C22.H53.N23.O2.F1.S4.Cl1.		15.0	853.3308	+1.7 mmu 
C41.H61.N5.O3.F1.S4.Cl1.		21.0	853.3330	-0.5 mmu 
C26.H57.N17.O4.F1.S4.Cl1.		14.0	853.3335	-1.0 mmu 
C40.H65.N1.O7.F1.S4.Cl1.		16.0	853.3316	+0.9 mmu 
C25.H61.N13.O8.F1.S4.Cl1.		9.0	853.3321	+0.4 mmu 
C24.H65.N9.O12.F1.S4.Cl1.		4.0	853.3308	+1.7 mmu 
C28.H69.N3.O14.F1.S4.Cl1.		3.0	853.3335	-1.0 mmu 
C34.H58.N11.O2.F2.S4.Cl1.		18.0	853.3314	+1.1 mmu 
C19.H54.N23.O3.F2.S4.Cl1.		11.0	853.3319	+0.6 mmu 
C38.H62.N5.O4.F2.S4.Cl1.		17.0	853.3341	-1.6 mmu 
C37.H66.N1.O8.F2.S4.Cl1.		12.0	853.3328	-0.3 mmu 
C22.H62.N13.O9.F2.S4.Cl1.		5.0	853.3333	-0.8 mmu 
C31.H59.N11.O3.F3.S4.Cl1.		14.0	853.3326	-0.1 mmu 
C30.H63.N7.O7.F3.S4.Cl1.		9.0	853.3312	+1.3 mmu 
C34.H67.N1.O9.F3.S4.Cl1.		8.0	853.3339	-1.4 mmu 
C24.H56.N17.O2.F4.S4.Cl1.		11.0	853.3310	+1.5 mmu 
C28.H60.N11.O4.F4.S4.Cl1.		10.0	853.3337	-1.2 mmu 
C27.H64.N7.O8.F4.S4.Cl1.		5.0	853.3324	+0.1 mmu 
C26.H68.N3.O12.F4.S4.Cl1.		0.0	853.3310	+1.5 mmu 
C36.H61.N5.O2.F5.S4.Cl1.		14.0	853.3317	+0.8 mmu 
C21.H57.N17.O3.F5.S4.Cl1.		7.0	853.3322	+0.3 mmu 
C24.H65.N7.O9.F5.S4.Cl1.		1.0	853.3335	-1.0 mmu 
C33.H62.N5.O3.F6.S4.Cl1.		10.0	853.3328	-0.3 mmu 
C32.H66.N1.O7.F6.S4.Cl1.		5.0	853.3315	+1.0 mmu 
C26.H59.N11.O2.F7.S4.Cl1.		7.0	853.3313	+1.2 mmu 
C30.H63.N5.O4.F7.S4.Cl1.		6.0	853.3340	-1.5 mmu 
C29.H67.N1.O8.F7.S4.Cl1.		1.0	853.3326	-0.1 mmu 
C23.H60.N11.O3.F8.S4.Cl1.		3.0	853.3324	+0.1 mmu 
C28.H62.N5.O2.F10.S4.Cl1.		3.0	853.3315	+1.0 mmu 
C38.H61.N9.O1.P1.S4.Cl1.		22.0	853.3308	+1.7 mmu 
C23.H57.N21.O2.P1.S4.Cl1.		15.0	853.3313	+1.2 mmu 
C42.H65.N3.O3.P1.S4.Cl1.		21.0	853.3335	-1.0 mmu 
C27.H61.N15.O4.P1.S4.Cl1.		14.0	853.3340	-1.5 mmu 
C26.H65.N11.O8.P1.S4.Cl1.		9.0	853.3327	-0.2 mmu 
C25.H69.N7.O12.P1.S4.Cl1.		4.0	853.3313	+1.2 mmu 
C29.H73.N1.O14.P1.S4.Cl1.		3.0	853.3340	-1.5 mmu 
C35.H62.N9.O2.F1.P1.S4.Cl1.		18.0	853.3319	+0.6 mmu 
C20.H58.N21.O3.F1.P1.S4.Cl1.		11.0	853.3325	+0.0 mmu 
C23.H66.N11.O9.F1.P1.S4.Cl1.		5.0	853.3338	-1.3 mmu 
C32.H63.N9.O3.F2.P1.S4.Cl1.		14.0	853.3331	-0.6 mmu 
C31.H67.N5.O7.F2.P1.S4.Cl1.		9.0	853.3318	+0.7 mmu 
C40.H64.N3.O1.F3.P1.S4.Cl1.		18.0	853.3310	+1.5 mmu 
C25.H60.N15.O2.F3.P1.S4.Cl1.		11.0	853.3315	+1.0 mmu 
C28.H68.N5.O8.F3.P1.S4.Cl1.		5.0	853.3329	-0.4 mmu 
C27.H72.N1.O12.F3.P1.S4.Cl1.		0.0	853.3316	+0.9 mmu 
C37.H65.N3.O2.F4.P1.S4.Cl1.		14.0	853.3322	+0.3 mmu 
C22.H61.N15.O3.F4.P1.S4.Cl1.		7.0	853.3327	-0.2 mmu 
C25.H69.N5.O9.F4.P1.S4.Cl1.		1.0	853.3340	-1.5 mmu 
C34.H66.N3.O3.F5.P1.S4.Cl1.		10.0	853.3333	-0.8 mmu 
C27.H63.N9.O2.F6.P1.S4.Cl1.		7.0	853.3318	+0.7 mmu 
C24.H64.N9.O3.F7.P1.S4.Cl1.		3.0	853.3329	-0.4 mmu 
C32.H65.N3.O1.F8.P1.S4.Cl1.		7.0	853.3309	+1.6 mmu 
C29.H66.N3.O2.F9.P1.S4.Cl1.		3.0	853.3320	+0.5 mmu 
C36.H66.N7.O2.P2.S4.Cl1.		18.0	853.3325	+0.0 mmu 
C21.H62.N19.O3.P2.S4.Cl1.		11.0	853.3330	-0.5 mmu 
C35.H70.N3.O6.P2.S4.Cl1.		13.0	853.3311	+1.4 mmu 
C29.H63.N13.O1.F1.P2.S4.Cl1.		15.0	853.3309	+1.6 mmu 
C33.H67.N7.O3.F1.P2.S4.Cl1.		14.0	853.3336	-1.1 mmu 
C32.H71.N3.O7.F1.P2.S4.Cl1.		9.0	853.3323	+0.2 mmu 
C41.H68.N1.O1.F2.P2.S4.Cl1.		18.0	853.3316	+0.9 mmu 
C26.H64.N13.O2.F2.P2.S4.Cl1.		11.0	853.3321	+0.4 mmu 
C29.H72.N3.O8.F2.P2.S4.Cl1.		5.0	853.3334	-0.9 mmu 
C38.H69.N1.O2.F3.P2.S4.Cl1.		14.0	853.3327	-0.2 mmu 
C23.H65.N13.O3.F3.P2.S4.Cl1.		7.0	853.3332	-0.7 mmu 
C31.H66.N7.O1.F4.P2.S4.Cl1.		11.0	853.3312	+1.3 mmu 
C35.H70.N1.O3.F4.P2.S4.Cl1.		10.0	853.3338	-1.3 mmu 
C28.H67.N7.O2.F5.P2.S4.Cl1.		7.0	853.3323	+0.2 mmu 
C27.H71.N3.O6.F5.P2.S4.Cl1.		2.0	853.3310	+1.5 mmu 
C25.H68.N7.O3.F6.P2.S4.Cl1.		3.0	853.3334	-0.9 mmu 
C33.H69.N1.O1.F7.P2.S4.Cl1.		7.0	853.3314	+1.1 mmu 
C30.H70.N1.O2.F8.P2.S4.Cl1.		3.0	853.3325	-0.0 mmu 
C23.H67.N7.O1.F9.P2.S4.Cl1.		0.0	853.3310	+1.5 mmu 
C30.H67.N11.O1.P3.S4.Cl1.		15.0	853.3314	+1.1 mmu 
C34.H71.N5.O3.P3.S4.Cl1.		14.0	853.3341	-1.6 mmu 
C33.H75.N1.O7.P3.S4.Cl1.		9.0	853.3328	-0.3 mmu 
C27.H68.N11.O2.F1.P3.S4.Cl1.		11.0	853.3326	-0.1 mmu 
C26.H72.N7.O6.F1.P3.S4.Cl1.		6.0	853.3312	+1.3 mmu 
C30.H76.N1.O8.F1.P3.S4.Cl1.		5.0	853.3339	-1.4 mmu 
C24.H69.N11.O3.F2.P3.S4.Cl1.		7.0	853.3337	-1.2 mmu 
C32.H70.N5.O1.F3.P3.S4.Cl1.		11.0	853.3317	+0.8 mmu 
C29.H71.N5.O2.F4.P3.S4.Cl1.		7.0	853.3328	-0.3 mmu 
C28.H75.N1.O6.F4.P3.S4.Cl1.		2.0	853.3315	+1.0 mmu 
C26.H72.N5.O3.F5.P3.S4.Cl1.		3.0	853.3340	-1.5 mmu 
C24.H71.N5.O1.F8.P3.S4.Cl1.		0.0	853.3315	+1.0 mmu 
C36.H73.N3.F1.P4.S4.Cl1.		15.0	853.3310	+1.5 mmu 
C33.H74.N3.O1.F2.P4.S4.Cl1.		11.0	853.3322	+0.3 mmu 
C30.H75.N3.O2.F3.P4.S4.Cl1.		7.0	853.3333	-0.8 mmu 
C28.H74.N3.F6.P4.S4.Cl1.		4.0	853.3309	+1.6 mmu 
C25.H75.N3.O1.F7.P4.S4.Cl1.		0.0	853.3320	+0.5 mmu 
C37.H77.N1.P5.S4.Cl1.		15.0	853.3315	+1.0 mmu 
C34.H78.N1.O1.F1.P5.S4.Cl1.		11.0	853.3327	-0.2 mmu 
C31.H79.N1.O2.F2.P5.S4.Cl1.		7.0	853.3338	-1.3 mmu 
C29.H78.N1.F5.P5.S4.Cl1.		4.0	853.3314	+1.1 mmu 
C29.H83.N3.P7.S4.Cl1.		8.0	853.3322	+0.3 mmu 
C37.H60.N11.S5.Cl1.		23.0	853.3325	-0.0 mmu 
C22.H56.N23.O1.S5.Cl1.		16.0	853.3330	-0.5 mmu 
C36.H64.N7.O4.S5.Cl1.		18.0	853.3312	+1.3 mmu 
C21.H60.N19.O5.S5.Cl1.		11.0	853.3317	+0.8 mmu 
C40.H68.N1.O6.S5.Cl1.		17.0	853.3339	-1.4 mmu 
C24.H68.N9.O11.S5.Cl1.		5.0	853.3330	-0.5 mmu 
C34.H61.N11.O1.F1.S5.Cl1.		19.0	853.3337	-1.2 mmu 
C19.H57.N23.O2.F1.S5.Cl1.		12.0	853.3342	-1.7 mmu 
C33.H65.N7.O5.F1.S5.Cl1.		14.0	853.3323	+0.2 mmu 
C32.H69.N3.O9.F1.S5.Cl1.		9.0	853.3310	+1.5 mmu 
C27.H58.N17.F2.S5.Cl1.		16.0	853.3321	+0.4 mmu 
C30.H66.N7.O6.F2.S5.Cl1.		10.0	853.3335	-1.0 mmu 
C29.H70.N3.O10.F2.S5.Cl1.		5.0	853.3321	+0.4 mmu 
C39.H63.N5.F3.S5.Cl1.		19.0	853.3328	-0.3 mmu 
C24.H59.N17.O1.F3.S5.Cl1.		12.0	853.3333	-0.8 mmu 
C38.H67.N1.O4.F3.S5.Cl1.		14.0	853.3314	+1.1 mmu 
C23.H63.N13.O5.F3.S5.Cl1.		7.0	853.3319	+0.6 mmu 
C26.H71.N3.O11.F3.S5.Cl1.		1.0	853.3333	-0.8 mmu 
C36.H64.N5.O1.F4.S5.Cl1.		15.0	853.3339	-1.4 mmu 
C35.H68.N1.O5.F4.S5.Cl1.		10.0	853.3326	-0.1 mmu 
C29.H61.N11.F5.S5.Cl1.		12.0	853.3324	+0.1 mmu 
C28.H65.N7.O4.F5.S5.Cl1.		7.0	853.3310	+1.5 mmu 
C32.H69.N1.O6.F5.S5.Cl1.		6.0	853.3337	-1.2 mmu 
C26.H62.N11.O1.F6.S5.Cl1.		8.0	853.3335	-1.0 mmu 
C25.H66.N7.O5.F6.S5.Cl1.		3.0	853.3322	+0.3 mmu 
C31.H64.N5.F8.S5.Cl1.		8.0	853.3326	-0.1 mmu 
C30.H68.N1.O4.F8.S5.Cl1.		3.0	853.3313	+1.2 mmu 
C28.H65.N5.O1.F9.S5.Cl1.		4.0	853.3337	-1.2 mmu 
C21.H62.N11.F10.S5.Cl1.		1.0	853.3322	+0.3 mmu 
C35.H65.N9.O1.P1.S5.Cl1.		19.0	853.3342	-1.7 mmu 
C34.H69.N5.O5.P1.S5.Cl1.		14.0	853.3328	-0.3 mmu 
C33.H73.N1.O9.P1.S5.Cl1.		9.0	853.3315	+1.0 mmu 
C28.H62.N15.F1.P1.S5.Cl1.		16.0	853.3326	-0.1 mmu 
C27.H66.N11.O4.F1.P1.S5.Cl1.		11.0	853.3313	+1.2 mmu 
C31.H70.N5.O6.F1.P1.S5.Cl1.		10.0	853.3340	-1.5 mmu 
C30.H74.N1.O10.F1.P1.S5.Cl1.		5.0	853.3326	-0.1 mmu 
C40.H67.N3.F2.P1.S5.Cl1.		19.0	853.3333	-0.8 mmu 
C25.H63.N15.O1.F2.P1.S5.Cl1.		12.0	853.3338	-1.3 mmu 
C24.H67.N11.O5.F2.P1.S5.Cl1.		7.0	853.3324	+0.1 mmu 
C27.H75.N1.O11.F2.P1.S5.Cl1.		1.0	853.3338	-1.3 mmu 
C30.H65.N9.F4.P1.S5.Cl1.		12.0	853.3329	-0.4 mmu 
C29.H69.N5.O4.F4.P1.S5.Cl1.		7.0	853.3315	+1.0 mmu 
C27.H66.N9.O1.F5.P1.S5.Cl1.		8.0	853.3340	-1.5 mmu 
C26.H70.N5.O5.F5.P1.S5.Cl1.		3.0	853.3327	-0.2 mmu 
C32.H68.N3.F7.P1.S5.Cl1.		8.0	853.3331	-0.6 mmu 
C22.H66.N9.F9.P1.S5.Cl1.		1.0	853.3327	-0.2 mmu 
C29.H66.N13.P2.S5.Cl1.		16.0	853.3331	-0.6 mmu 
C28.H70.N9.O4.P2.S5.Cl1.		11.0	853.3318	+0.7 mmu 
C41.H71.N1.F1.P2.S5.Cl1.		19.0	853.3338	-1.3 mmu 
C25.H71.N9.O5.F1.P2.S5.Cl1.		7.0	853.3329	-0.4 mmu 
C33.H72.N3.O3.F2.P2.S5.Cl1.		11.0	853.3309	+1.6 mmu 
C31.H69.N7.F3.P2.S5.Cl1.		12.0	853.3334	-0.9 mmu 
C30.H73.N3.O4.F3.P2.S5.Cl1.		7.0	853.3320	+0.5 mmu 
C27.H74.N3.O5.F4.P2.S5.Cl1.		3.0	853.3332	-0.7 mmu 
C33.H72.N1.F6.P2.S5.Cl1.		8.0	853.3336	-1.1 mmu 
C26.H75.N7.O5.P3.S5.Cl1.		7.0	853.3335	-1.0 mmu 
C34.H76.N1.O3.F1.P3.S5.Cl1.		11.0	853.3314	+1.1 mmu 
C32.H73.N5.F2.P3.S5.Cl1.		12.0	853.3339	-1.4 mmu 
C31.H77.N1.O4.F2.P3.S5.Cl1.		7.0	853.3326	-0.1 mmu 
C28.H78.N1.O5.F3.P3.S5.Cl1.		3.0	853.3337	-1.2 mmu 
C26.H77.N1.O3.F6.P3.S5.Cl1.		0.0	853.3313	+1.2 mmu 
C29.H81.N3.O2.P5.S5.Cl1.		8.0	853.3309	+1.6 mmu 
C44.H68.N1.O1.S6.Cl1.		23.0	853.3314	+1.1 mmu 
C29.H64.N13.O2.S6.Cl1.		16.0	853.3319	+0.6 mmu 
C32.H72.N3.O8.S6.Cl1.		10.0	853.3332	-0.7 mmu 
C41.H69.N1.O2.F1.S6.Cl1.		19.0	853.3325	-0.0 mmu 
C26.H65.N13.O3.F1.S6.Cl1.		12.0	853.3330	-0.5 mmu 
C25.H69.N9.O7.F1.S6.Cl1.		7.0	853.3317	+0.8 mmu 
C34.H66.N7.O1.F2.S6.Cl1.		16.0	853.3310	+1.5 mmu 
C38.H70.N1.O3.F2.S6.Cl1.		15.0	853.3337	-1.2 mmu 
C23.H66.N13.O4.F2.S6.Cl1.		8.0	853.3342	-1.7 mmu 
C31.H67.N7.O2.F3.S6.Cl1.		12.0	853.3321	+0.4 mmu 
C28.H68.N7.O3.F4.S6.Cl1.		8.0	853.3333	-0.8 mmu 
C27.H72.N3.O7.F4.S6.Cl1.		3.0	853.3319	+0.6 mmu 
C36.H69.N1.O1.F5.S6.Cl1.		12.0	853.3312	+1.3 mmu 
C33.H70.N1.O2.F6.S6.Cl1.		8.0	853.3324	+0.1 mmu 
C26.H67.N7.O1.F7.S6.Cl1.		5.0	853.3308	+1.7 mmu 
C30.H71.N1.O3.F7.S6.Cl1.		4.0	853.3335	-1.0 mmu 
C23.H68.N7.O2.F8.S6.Cl1.		1.0	853.3320	+0.5 mmu 
C28.H70.N1.O1.F10.S6.Cl1.		1.0	853.3310	+1.5 mmu 
C23.H65.N17.O1.P1.S6.Cl1.		13.0	853.3308	+1.7 mmu 
C27.H69.N11.O3.P1.S6.Cl1.		12.0	853.3335	-1.0 mmu 
C26.H73.N7.O7.P1.S6.Cl1.		7.0	853.3322	+0.3 mmu 
C35.H70.N5.O1.F1.P1.S6.Cl1.		16.0	853.3315	+1.0 mmu 
C32.H71.N5.O2.F2.P1.S6.Cl1.		12.0	853.3326	-0.1 mmu 
C31.H75.N1.O6.F2.P1.S6.Cl1.		7.0	853.3313	+1.2 mmu 
C25.H68.N11.O1.F3.P1.S6.Cl1.		9.0	853.3311	+1.4 mmu 
C29.H72.N5.O3.F3.P1.S6.Cl1.		8.0	853.3338	-1.3 mmu 
C28.H76.N1.O7.F3.P1.S6.Cl1.		3.0	853.3324	+0.1 mmu 
C27.H71.N5.O1.F6.P1.S6.Cl1.		5.0	853.3313	+1.2 mmu 
C24.H72.N5.O2.F7.P1.S6.Cl1.		1.0	853.3325	+0.0 mmu 
C36.H74.N3.O1.P2.S6.Cl1.		16.0	853.3320	+0.5 mmu 
C33.H75.N3.O2.F1.P2.S6.Cl1.		12.0	853.3331	-0.6 mmu 
C26.H72.N9.O1.F2.P2.S6.Cl1.		9.0	853.3316	+0.9 mmu 
C28.H75.N3.O1.F5.P2.S6.Cl1.		5.0	853.3318	+0.7 mmu 
C30.H75.N7.P3.S6.Cl1.		13.0	853.3310	+1.5 mmu 
C34.H79.N1.O2.P3.S6.Cl1.		12.0	853.3336	-1.1 mmu 
C27.H76.N7.O1.F1.P3.S6.Cl1.		9.0	853.3321	+0.4 mmu 
C32.H78.N1.F3.P3.S6.Cl1.		9.0	853.3312	+1.3 mmu 
C29.H79.N1.O1.F4.P3.S6.Cl1.		5.0	853.3323	+0.2 mmu 
C22.H64.N19.S7.Cl1.		14.0	853.3326	-0.1 mmu 
C25.H72.N9.O6.S7.Cl1.		8.0	853.3339	-1.4 mmu 
C34.H69.N7.F1.S7.Cl1.		17.0	853.3332	-0.7 mmu 
C33.H73.N3.O4.F1.S7.Cl1.		12.0	853.3319	+0.6 mmu 
C30.H74.N3.O5.F2.S7.Cl1.		8.0	853.3330	-0.5 mmu 
C24.H67.N13.F3.S7.Cl1.		10.0	853.3328	-0.3 mmu 
C27.H75.N3.O6.F3.S7.Cl1.		4.0	853.3341	-1.6 mmu 
C36.H72.N1.F4.S7.Cl1.		13.0	853.3334	-0.9 mmu 
C26.H70.N7.F6.S7.Cl1.		6.0	853.3330	-0.5 mmu 
C25.H74.N3.O4.F6.S7.Cl1.		1.0	853.3317	+0.8 mmu 
C28.H73.N1.F9.S7.Cl1.		2.0	853.3333	-0.8 mmu 
C35.H73.N5.P1.S7.Cl1.		17.0	853.3337	-1.2 mmu 
C34.H77.N1.O4.P1.S7.Cl1.		12.0	853.3324	+0.1 mmu 
C27.H74.N7.O3.F1.P1.S7.Cl1.		9.0	853.3308	+1.7 mmu 
C31.H78.N1.O5.F1.P1.S7.Cl1.		8.0	853.3335	-1.0 mmu 
C25.H71.N11.F2.P1.S7.Cl1.		10.0	853.3333	-0.8 mmu 
C29.H77.N1.O3.F4.P1.S7.Cl1.		5.0	853.3311	+1.4 mmu 
C27.H74.N5.F5.P1.S7.Cl1.		6.0	853.3335	-1.0 mmu 
C26.H78.N1.O4.F5.P1.S7.Cl1.		1.0	853.3322	+0.3 mmu 
C28.H78.N5.O3.P2.S7.Cl1.		9.0	853.3313	+1.2 mmu 
C26.H75.N9.F1.P2.S7.Cl1.		10.0	853.3338	-1.3 mmu 
C28.H78.N3.F4.P2.S7.Cl1.		6.0	853.3341	-1.6 mmu 
C29.H72.N9.O1.S8.Cl1.		14.0	853.3314	+1.1 mmu 
C33.H76.N3.O3.S8.Cl1.		13.0	853.3341	-1.6 mmu 
C26.H73.N9.O2.F1.S8.Cl1.		10.0	853.3325	-0.0 mmu 
C31.H75.N3.O1.F3.S8.Cl1.		10.0	853.3316	+0.9 mmu 
C28.H76.N3.O2.F4.S8.Cl1.		6.0	853.3328	-0.3 mmu 
C27.H77.N7.O2.P1.S8.Cl1.		10.0	853.3331	-0.6 mmu 
C35.H78.N1.F1.P1.S8.Cl1.		14.0	853.3310	+1.5 mmu 
C32.H79.N1.O1.F2.P1.S8.Cl1.		10.0	853.3322	+0.3 mmu 
C29.H80.N1.O2.F3.P1.S8.Cl1.		6.0	853.3333	-0.8 mmu 
C27.H79.N1.F6.P1.S8.Cl1.		3.0	853.3309	+1.6 mmu 
C31.H78.N3.F2.S9.Cl1.		11.0	853.3339	-1.4 mmu 
C29.H80.N5.S10.Cl1.		12.0	853.3309	+1.6 mmu 
C54.H49.N5.O1.Cl2.		32.0	853.3314	+1.1 mmu 
C39.H45.N17.O2.Cl2.		25.0	853.3319	+0.6 mmu 
C23.H45.N25.O7.Cl2.		13.0	853.3311	+1.4 mmu 
C42.H53.N7.O8.Cl2.		19.0	853.3333	-0.8 mmu 
C27.H49.N19.O9.Cl2.		12.0	853.3338	-1.3 mmu 
C41.H57.N3.O12.Cl2.		14.0	853.3319	+0.6 mmu 
C26.H53.N15.O13.Cl2.		7.0	853.3324	+0.1 mmu 
C25.H57.N11.O17.Cl2.		2.0	853.3311	+1.4 mmu 
C29.H61.N5.O19.Cl2.		1.0	853.3338	-1.3 mmu 
C51.H50.N5.O2.F1.Cl2.		28.0	853.3326	-0.1 mmu 
C36.H46.N17.O3.F1.Cl2.		21.0	853.3331	-0.6 mmu 
C50.H54.N1.O6.F1.Cl2.		23.0	853.3312	+1.3 mmu 
C35.H50.N13.O7.F1.Cl2.		16.0	853.3317	+0.8 mmu 
C20.H46.N25.O8.F1.Cl2.		9.0	853.3322	+0.3 mmu 
C19.H50.N21.O12.F1.Cl2.		4.0	853.3309	+1.6 mmu 
C38.H58.N3.O13.F1.Cl2.		10.0	853.3331	-0.6 mmu 
C23.H54.N15.O14.F1.Cl2.		3.0	853.3336	-1.1 mmu 
C44.H47.N11.O1.F2.Cl2.		25.0	853.3310	+1.5 mmu 
C29.H43.N23.O2.F2.Cl2.		18.0	853.3315	+1.0 mmu 
C48.H51.N5.O3.F2.Cl2.		24.0	853.3337	-1.2 mmu 
C33.H47.N17.O4.F2.Cl2.		17.0	853.3342	-1.7 mmu 
C47.H55.N1.O7.F2.Cl2.		19.0	853.3324	+0.1 mmu 
C32.H51.N13.O8.F2.Cl2.		12.0	853.3329	-0.4 mmu 
C17.H47.N25.O9.F2.Cl2.		5.0	853.3334	-0.9 mmu 
C31.H55.N9.O12.F2.Cl2.		7.0	853.3315	+1.0 mmu 
C41.H48.N11.O2.F3.Cl2.		21.0	853.3322	+0.3 mmu 
C26.H44.N23.O3.F3.Cl2.		14.0	853.3327	-0.2 mmu 
C40.H52.N7.O6.F3.Cl2.		16.0	853.3308	+1.7 mmu 
C25.H48.N19.O7.F3.Cl2.		9.0	853.3313	+1.2 mmu 
C44.H56.N1.O8.F3.Cl2.		15.0	853.3335	-1.0 mmu 
C29.H52.N13.O9.F3.Cl2.		8.0	853.3340	-1.5 mmu 
C28.H56.N9.O13.F3.Cl2.		3.0	853.3327	-0.2 mmu 
C38.H49.N11.O3.F4.Cl2.		17.0	853.3333	-0.8 mmu 
C23.H45.N23.O4.F4.Cl2.		10.0	853.3338	-1.3 mmu 
C37.H53.N7.O7.F4.Cl2.		12.0	853.3320	+0.5 mmu 
C22.H49.N19.O8.F4.Cl2.		5.0	853.3325	+0.0 mmu 
C21.H53.N15.O12.F4.Cl2.		0.0	853.3311	+1.4 mmu 
C46.H50.N5.O1.F5.Cl2.		21.0	853.3313	+1.2 mmu 
C31.H46.N17.O2.F5.Cl2.		14.0	853.3318	+0.7 mmu 
C34.H54.N7.O8.F5.Cl2.		8.0	853.3331	-0.6 mmu 
C19.H50.N19.O9.F5.Cl2.		1.0	853.3336	-1.1 mmu 
C33.H58.N3.O12.F5.Cl2.		3.0	853.3318	+0.7 mmu 
C43.H51.N5.O2.F6.Cl2.		17.0	853.3324	+0.1 mmu 
C28.H47.N17.O3.F6.Cl2.		10.0	853.3329	-0.4 mmu 
C42.H55.N1.O6.F6.Cl2.		12.0	853.3311	+1.4 mmu 
C27.H51.N13.O7.F6.Cl2.		5.0	853.3316	+0.9 mmu 
C36.H48.N11.O1.F7.Cl2.		14.0	853.3309	+1.6 mmu 
C21.H44.N23.O2.F7.Cl2.		7.0	853.3314	+1.1 mmu 
C40.H52.N5.O3.F7.Cl2.		13.0	853.3335	-1.0 mmu 
C25.H48.N17.O4.F7.Cl2.		6.0	853.3340	-1.5 mmu 
C39.H56.N1.O7.F7.Cl2.		8.0	853.3322	+0.3 mmu 
C24.H52.N13.O8.F7.Cl2.		1.0	853.3327	-0.2 mmu 
C33.H49.N11.O2.F8.Cl2.		10.0	853.3320	+0.5 mmu 
C18.H45.N23.O3.F8.Cl2.		3.0	853.3325	-0.0 mmu 
C36.H57.N1.O8.F8.Cl2.		4.0	853.3333	-0.8 mmu 
C30.H50.N11.O3.F9.Cl2.		6.0	853.3331	-0.6 mmu 
C29.H54.N7.O7.F9.Cl2.		1.0	853.3318	+0.7 mmu 
C38.H51.N5.O1.F10.Cl2.		10.0	853.3311	+1.4 mmu 
C23.H47.N17.O2.F10.Cl2.		3.0	853.3316	+0.9 mmu 
C35.H52.N5.O2.F11.Cl2.		6.0	853.3322	+0.3 mmu 
C34.H56.N1.O6.F11.Cl2.		1.0	853.3309	+1.6 mmu 
C32.H53.N5.O3.F12.Cl2.		2.0	853.3334	-0.9 mmu 
C33.H46.N21.O1.P1.Cl2.		22.0	853.3309	+1.6 mmu 
C52.H54.N3.O2.P1.Cl2.		28.0	853.3331	-0.6 mmu 
C37.H50.N15.O3.P1.Cl2.		21.0	853.3336	-1.1 mmu 
C36.H54.N11.O7.P1.Cl2.		16.0	853.3322	+0.3 mmu 
C21.H50.N23.O8.P1.Cl2.		9.0	853.3327	-0.2 mmu 
C35.H58.N7.O11.P1.Cl2.		11.0	853.3309	+1.6 mmu 
C20.H54.N19.O12.P1.Cl2.		4.0	853.3314	+1.1 mmu 
C39.H62.N1.O13.P1.Cl2.		10.0	853.3336	-1.1 mmu 
C24.H58.N13.O14.P1.Cl2.		3.0	853.3341	-1.6 mmu 
C45.H51.N9.O1.F1.P1.Cl2.		25.0	853.3315	+1.0 mmu 
C30.H47.N21.O2.F1.P1.Cl2.		18.0	853.3320	+0.5 mmu 
C33.H55.N11.O8.F1.P1.Cl2.		12.0	853.3334	-0.9 mmu 
C18.H51.N23.O9.F1.P1.Cl2.		5.0	853.3339	-1.4 mmu 
C32.H59.N7.O12.F1.P1.Cl2.		7.0	853.3320	+0.5 mmu 
C42.H52.N9.O2.F2.P1.Cl2.		21.0	853.3327	-0.2 mmu 
C27.H48.N21.O3.F2.P1.Cl2.		14.0	853.3332	-0.7 mmu 
C41.H56.N5.O6.F2.P1.Cl2.		16.0	853.3313	+1.2 mmu 
C26.H52.N17.O7.F2.P1.Cl2.		9.0	853.3318	+0.7 mmu 
C29.H60.N7.O13.F2.P1.Cl2.		3.0	853.3332	-0.7 mmu 
C35.H49.N15.O1.F3.P1.Cl2.		18.0	853.3311	+1.4 mmu 
C39.H53.N9.O3.F3.P1.Cl2.		17.0	853.3338	-1.3 mmu 
C38.H57.N5.O7.F3.P1.Cl2.		12.0	853.3325	+0.0 mmu 
C23.H53.N17.O8.F3.P1.Cl2.		5.0	853.3330	-0.5 mmu 
C37.H61.N1.O11.F3.P1.Cl2.		7.0	853.3311	+1.4 mmu 
C22.H57.N13.O12.F3.P1.Cl2.		0.0	853.3316	+0.9 mmu 
C47.H54.N3.O1.F4.P1.Cl2.		21.0	853.3318	+0.7 mmu 
C32.H50.N15.O2.F4.P1.Cl2.		14.0	853.3323	+0.2 mmu 
C31.H54.N11.O6.F4.P1.Cl2.		9.0	853.3309	+1.6 mmu 
C35.H58.N5.O8.F4.P1.Cl2.		8.0	853.3336	-1.1 mmu 
C20.H54.N17.O9.F4.P1.Cl2.		1.0	853.3341	-1.6 mmu 
C34.H62.N1.O12.F4.P1.Cl2.		3.0	853.3323	+0.2 mmu 
C44.H55.N3.O2.F5.P1.Cl2.		17.0	853.3329	-0.4 mmu 
C29.H51.N15.O3.F5.P1.Cl2.		10.0	853.3334	-0.9 mmu 
C28.H55.N11.O7.F5.P1.Cl2.		5.0	853.3321	+0.4 mmu 
C37.H52.N9.O1.F6.P1.Cl2.		14.0	853.3314	+1.1 mmu 
C22.H48.N21.O2.F6.P1.Cl2.		7.0	853.3319	+0.6 mmu 
C41.H56.N3.O3.F6.P1.Cl2.		13.0	853.3341	-1.6 mmu 
C25.H56.N11.O8.F6.P1.Cl2.		1.0	853.3332	-0.7 mmu 
C34.H53.N9.O2.F7.P1.Cl2.		10.0	853.3325	-0.0 mmu 
C19.H49.N21.O3.F7.P1.Cl2.		3.0	853.3330	-0.5 mmu 
C33.H57.N5.O6.F7.P1.Cl2.		5.0	853.3312	+1.3 mmu 
C27.H50.N15.O1.F8.P1.Cl2.		7.0	853.3310	+1.5 mmu 
C31.H54.N9.O3.F8.P1.Cl2.		6.0	853.3337	-1.2 mmu 
C30.H58.N5.O7.F8.P1.Cl2.		1.0	853.3323	+0.2 mmu 
C39.H55.N3.O1.F9.P1.Cl2.		10.0	853.3316	+0.9 mmu 
C24.H51.N15.O2.F9.P1.Cl2.		3.0	853.3321	+0.4 mmu 
C36.H56.N3.O2.F10.P1.Cl2.		6.0	853.3328	-0.3 mmu 
C29.H53.N9.O1.F11.P1.Cl2.		3.0	853.3312	+1.3 mmu 
C33.H57.N3.O3.F11.P1.Cl2.		2.0	853.3339	-1.4 mmu 
C46.H55.N7.O1.P2.Cl2.		25.0	853.3320	+0.5 mmu 
C31.H51.N19.O2.P2.Cl2.		18.0	853.3325	-0.0 mmu 
C30.H55.N15.O6.P2.Cl2.		13.0	853.3312	+1.3 mmu 
C34.H59.N9.O8.P2.Cl2.		12.0	853.3339	-1.4 mmu 
C33.H63.N5.O12.P2.Cl2.		7.0	853.3326	-0.1 mmu 
C32.H67.N1.O16.P2.Cl2.		2.0	853.3312	+1.3 mmu 
C24.H48.N25.O1.F1.P2.Cl2.		15.0	853.3310	+1.5 mmu 
C43.H56.N7.O2.F1.P2.Cl2.		21.0	853.3332	-0.7 mmu 
C28.H52.N19.O3.F1.P2.Cl2.		14.0	853.3337	-1.2 mmu 
C42.H60.N3.O6.F1.P2.Cl2.		16.0	853.3318	+0.7 mmu 
C27.H56.N15.O7.F1.P2.Cl2.		9.0	853.3323	+0.2 mmu 
C26.H60.N11.O11.F1.P2.Cl2.		4.0	853.3310	+1.5 mmu 
C30.H64.N5.O13.F1.P2.Cl2.		3.0	853.3337	-1.2 mmu 
C51.H57.N1.F2.P2.Cl2.		25.0	853.3311	+1.4 mmu 
C36.H53.N13.O1.F2.P2.Cl2.		18.0	853.3316	+0.9 mmu 
C21.H49.N25.O2.F2.P2.Cl2.		11.0	853.3321	+0.4 mmu 
C20.H53.N21.O6.F2.P2.Cl2.		6.0	853.3308	+1.7 mmu 
C39.H61.N3.O7.F2.P2.Cl2.		12.0	853.3330	-0.5 mmu 
C24.H57.N15.O8.F2.P2.Cl2.		5.0	853.3335	-1.0 mmu 
C23.H61.N11.O12.F2.P2.Cl2.		0.0	853.3322	+0.3 mmu 
C48.H58.N1.O1.F3.P2.Cl2.		21.0	853.3323	+0.2 mmu 
C33.H54.N13.O2.F3.P2.Cl2.		14.0	853.3328	-0.3 mmu 
C18.H50.N25.O3.F3.P2.Cl2.		7.0	853.3333	-0.8 mmu 
C32.H58.N9.O6.F3.P2.Cl2.		9.0	853.3314	+1.1 mmu 
C36.H62.N3.O8.F3.P2.Cl2.		8.0	853.3341	-1.6 mmu 
C26.H51.N19.O1.F4.P2.Cl2.		11.0	853.3312	+1.3 mmu 
C45.H59.N1.O2.F4.P2.Cl2.		17.0	853.3334	-0.9 mmu 
C30.H55.N13.O3.F4.P2.Cl2.		10.0	853.3339	-1.4 mmu 
C29.H59.N9.O7.F4.P2.Cl2.		5.0	853.3326	-0.1 mmu 
C28.H63.N5.O11.F4.P2.Cl2.		0.0	853.3312	+1.3 mmu 
C38.H56.N7.O1.F5.P2.Cl2.		14.0	853.3319	+0.6 mmu 
C23.H52.N19.O2.F5.P2.Cl2.		7.0	853.3324	+0.1 mmu 
C22.H56.N15.O6.F5.P2.Cl2.		2.0	853.3310	+1.5 mmu 
C26.H60.N9.O8.F5.P2.Cl2.		1.0	853.3337	-1.2 mmu 
C35.H57.N7.O2.F6.P2.Cl2.		10.0	853.3330	-0.5 mmu 
C20.H53.N19.O3.F6.P2.Cl2.		3.0	853.3335	-1.0 mmu 
C34.H61.N3.O6.F6.P2.Cl2.		5.0	853.3317	+0.8 mmu 
C43.H58.N1.F7.P2.Cl2.		14.0	853.3310	+1.5 mmu 
C28.H54.N13.O1.F7.P2.Cl2.		7.0	853.3315	+1.0 mmu 
C32.H58.N7.O3.F7.P2.Cl2.		6.0	853.3342	-1.7 mmu 
C31.H62.N3.O7.F7.P2.Cl2.		1.0	853.3328	-0.3 mmu 
C40.H59.N1.O1.F8.P2.Cl2.		10.0	853.3321	+0.4 mmu 
C25.H55.N13.O2.F8.P2.Cl2.		3.0	853.3326	-0.1 mmu 
C18.H52.N19.O1.F9.P2.Cl2.		0.0	853.3311	+1.4 mmu 
C37.H60.N1.O2.F9.P2.Cl2.		6.0	853.3333	-0.8 mmu 
C30.H57.N7.O1.F10.P2.Cl2.		3.0	853.3317	+0.8 mmu 
C35.H59.N1.F12.P2.Cl2.		3.0	853.3308	+1.7 mmu 
C40.H56.N11.P3.Cl2.		22.0	853.3310	+1.5 mmu 
C25.H52.N23.O1.P3.Cl2.		15.0	853.3315	+1.0 mmu 
C44.H60.N5.O2.P3.Cl2.		21.0	853.3337	-1.2 mmu 
C29.H56.N17.O3.P3.Cl2.		14.0	853.3342	-1.7 mmu 
C43.H64.N1.O6.P3.Cl2.		16.0	853.3324	+0.1 mmu 
C28.H60.N13.O7.P3.Cl2.		9.0	853.3329	-0.4 mmu 
C27.H64.N9.O11.P3.Cl2.		4.0	853.3315	+1.0 mmu 
C31.H68.N3.O13.P3.Cl2.		3.0	853.3342	-1.7 mmu 
C37.H57.N11.O1.F1.P3.Cl2.		18.0	853.3321	+0.4 mmu 
C22.H53.N23.O2.F1.P3.Cl2.		11.0	853.3327	-0.2 mmu 
C36.H61.N7.O5.F1.P3.Cl2.		13.0	853.3308	+1.7 mmu 
C21.H57.N19.O6.F1.P3.Cl2.		6.0	853.3313	+1.2 mmu 
C40.H65.N1.O7.F1.P3.Cl2.		12.0	853.3335	-1.0 mmu 
C25.H61.N13.O8.F1.P3.Cl2.		5.0	853.3340	-1.5 mmu 
C24.H65.N9.O12.F1.P3.Cl2.		0.0	853.3327	-0.2 mmu 
C34.H58.N11.O2.F2.P3.Cl2.		14.0	853.3333	-0.8 mmu 
C19.H54.N23.O3.F2.P3.Cl2.		7.0	853.3338	-1.3 mmu 
C33.H62.N7.O6.F2.P3.Cl2.		9.0	853.3320	+0.5 mmu 
C42.H59.N5.F3.P3.Cl2.		18.0	853.3312	+1.3 mmu 
C27.H55.N17.O1.F3.P3.Cl2.		11.0	853.3317	+0.8 mmu 
C30.H63.N7.O7.F3.P3.Cl2.		5.0	853.3331	-0.6 mmu 
C29.H67.N3.O11.F3.P3.Cl2.		0.0	853.3318	+0.7 mmu 
C39.H60.N5.O1.F4.P3.Cl2.		14.0	853.3324	+0.1 mmu 
C24.H56.N17.O2.F4.P3.Cl2.		7.0	853.3329	-0.4 mmu 
C38.H64.N1.O5.F4.P3.Cl2.		9.0	853.3311	+1.4 mmu 
C23.H60.N13.O6.F4.P3.Cl2.		2.0	853.3316	+0.9 mmu 
C32.H57.N11.F5.P3.Cl2.		11.0	853.3308	+1.7 mmu 
C36.H61.N5.O2.F5.P3.Cl2.		10.0	853.3335	-1.0 mmu 
C21.H57.N17.O3.F5.P3.Cl2.		3.0	853.3340	-1.5 mmu 
C35.H65.N1.O6.F5.P3.Cl2.		5.0	853.3322	+0.3 mmu 
C29.H58.N11.O1.F6.P3.Cl2.		7.0	853.3320	+0.5 mmu 
C32.H66.N1.O7.F6.P3.Cl2.		1.0	853.3333	-0.8 mmu 
C26.H59.N11.O2.F7.P3.Cl2.		3.0	853.3331	-0.6 mmu 
C34.H60.N5.F8.P3.Cl2.		7.0	853.3311	+1.4 mmu 
C19.H56.N17.O1.F8.P3.Cl2.		0.0	853.3316	+0.9 mmu 
C31.H61.N5.O1.F9.P3.Cl2.		3.0	853.3322	+0.3 mmu 
C38.H61.N9.O1.P4.Cl2.		18.0	853.3327	-0.2 mmu 
C23.H57.N21.O2.P4.Cl2.		11.0	853.3332	-0.7 mmu 
C37.H65.N5.O5.P4.Cl2.		13.0	853.3313	+1.2 mmu 
C22.H61.N17.O6.P4.Cl2.		6.0	853.3318	+0.7 mmu 
C25.H69.N7.O12.P4.Cl2.		0.0	853.3332	-0.7 mmu 
C31.H58.N15.F1.P4.Cl2.		15.0	853.3311	+1.4 mmu 
C35.H62.N9.O2.F1.P4.Cl2.		14.0	853.3338	-1.3 mmu 
C34.H66.N5.O6.F1.P4.Cl2.		9.0	853.3325	+0.0 mmu 
C33.H70.N1.O10.F1.P4.Cl2.		4.0	853.3311	+1.4 mmu 
C43.H63.N3.F2.P4.Cl2.		18.0	853.3318	+0.7 mmu 
C28.H59.N15.O1.F2.P4.Cl2.		11.0	853.3323	+0.2 mmu 
C27.H63.N11.O5.F2.P4.Cl2.		6.0	853.3309	+1.6 mmu 
C31.H67.N5.O7.F2.P4.Cl2.		5.0	853.3336	-1.1 mmu 
C30.H71.N1.O11.F2.P4.Cl2.		0.0	853.3323	+0.2 mmu 
C40.H64.N3.O1.F3.P4.Cl2.		14.0	853.3329	-0.4 mmu 
C25.H60.N15.O2.F3.P4.Cl2.		7.0	853.3334	-0.9 mmu 
C24.H64.N11.O6.F3.P4.Cl2.		2.0	853.3321	+0.4 mmu 
C33.H61.N9.F4.P4.Cl2.		11.0	853.3314	+1.1 mmu 
C37.H65.N3.O2.F4.P4.Cl2.		10.0	853.3340	-1.5 mmu 
C30.H62.N9.O1.F5.P4.Cl2.		7.0	853.3325	-0.0 mmu 
C29.H66.N5.O5.F5.P4.Cl2.		2.0	853.3312	+1.3 mmu 
C23.H59.N15.F6.P4.Cl2.		4.0	853.3310	+1.5 mmu 
C27.H63.N9.O2.F6.P4.Cl2.		3.0	853.3336	-1.1 mmu 
C35.H64.N3.F7.P4.Cl2.		7.0	853.3316	+0.9 mmu 
C20.H60.N15.O1.F7.P4.Cl2.		0.0	853.3321	+0.4 mmu 
C32.H65.N3.O1.F8.P4.Cl2.		3.0	853.3327	-0.2 mmu 
C25.H62.N9.F9.P4.Cl2.		0.0	853.3312	+1.3 mmu 
C32.H62.N13.P5.Cl2.		15.0	853.3316	+0.9 mmu 
C35.H70.N3.O6.P5.Cl2.		9.0	853.3330	-0.5 mmu 
C44.H67.N1.F1.P5.Cl2.		18.0	853.3323	+0.2 mmu 
C29.H63.N13.O1.F1.P5.Cl2.		11.0	853.3328	-0.3 mmu 
C28.H67.N9.O5.F1.P5.Cl2.		6.0	853.3314	+1.1 mmu 
C32.H71.N3.O7.F1.P5.Cl2.		5.0	853.3341	-1.6 mmu 
C22.H60.N19.F2.P5.Cl2.		8.0	853.3312	+1.3 mmu 
C41.H68.N1.O1.F2.P5.Cl2.		14.0	853.3334	-0.9 mmu 
C26.H64.N13.O2.F2.P5.Cl2.		7.0	853.3339	-1.4 mmu 
C25.H68.N9.O6.F2.P5.Cl2.		2.0	853.3326	-0.1 mmu 
C34.H65.N7.F3.P5.Cl2.		11.0	853.3319	+0.6 mmu 
C31.H66.N7.O1.F4.P5.Cl2.		7.0	853.3330	-0.5 mmu 
C30.H70.N3.O5.F4.P5.Cl2.		2.0	853.3317	+0.8 mmu 
C24.H63.N13.F5.P5.Cl2.		4.0	853.3315	+1.0 mmu 
C28.H67.N7.O2.F5.P5.Cl2.		3.0	853.3342	-1.7 mmu 
C36.H68.N1.F6.P5.Cl2.		7.0	853.3321	+0.4 mmu 
C33.H69.N1.O1.F7.P5.Cl2.		3.0	853.3333	-0.8 mmu 
C26.H66.N7.F8.P5.Cl2.		0.0	853.3317	+0.8 mmu 
C30.H67.N11.O1.P6.Cl2.		11.0	853.3333	-0.8 mmu 
C29.H71.N7.O5.P6.Cl2.		6.0	853.3319	+0.6 mmu 
C23.H64.N17.F1.P6.Cl2.		8.0	853.3317	+0.8 mmu 
C26.H72.N7.O6.F1.P6.Cl2.		2.0	853.3331	-0.6 mmu 
C35.H69.N5.F2.P6.Cl2.		11.0	853.3324	+0.1 mmu 
C34.H73.N1.O4.F2.P6.Cl2.		6.0	853.3310	+1.5 mmu 
C32.H70.N5.O1.F3.P6.Cl2.		7.0	853.3335	-1.0 mmu 
C31.H74.N1.O5.F3.P6.Cl2.		2.0	853.3322	+0.3 mmu 
C25.H67.N11.F4.P6.Cl2.		4.0	853.3320	+0.5 mmu 
C27.H70.N5.F7.P6.Cl2.		0.0	853.3322	+0.3 mmu 
C24.H68.N15.P7.Cl2.		8.0	853.3322	+0.3 mmu 
C27.H76.N5.O6.P7.Cl2.		2.0	853.3336	-1.1 mmu 
C36.H73.N3.F1.P7.Cl2.		11.0	853.3329	-0.4 mmu 
C33.H74.N3.O1.F2.P7.Cl2.		7.0	853.3340	-1.5 mmu 
C26.H71.N9.F3.P7.Cl2.		4.0	853.3325	+0.0 mmu 
C28.H74.N3.F6.P7.Cl2.		0.0	853.3327	-0.2 mmu 
C37.H77.N1.P8.Cl2.		11.0	853.3334	-0.9 mmu 
C27.H75.N7.F2.P8.Cl2.		4.0	853.3330	-0.5 mmu 
C29.H78.N1.F5.P8.Cl2.		0.0	853.3332	-0.7 mmu 
C30.H82.N1.O3.P9.Cl2.		3.0	853.3310	+1.5 mmu 
C32.H45.N23.S1.Cl2.		23.0	853.3326	-0.1 mmu 
C31.H49.N19.O4.S1.Cl2.		18.0	853.3313	+1.2 mmu 
C50.H57.N1.O5.S1.Cl2.		24.0	853.3335	-1.0 mmu 
C35.H53.N13.O6.S1.Cl2.		17.0	853.3340	-1.5 mmu 
C34.H57.N9.O10.S1.Cl2.		12.0	853.3326	-0.1 mmu 
C19.H53.N21.O11.S1.Cl2.		5.0	853.3331	-0.6 mmu 
C33.H61.N5.O14.S1.Cl2.		7.0	853.3313	+1.2 mmu 
C44.H50.N11.F1.S1.Cl2.		26.0	853.3332	-0.7 mmu 
C29.H46.N23.O1.F1.S1.Cl2.		19.0	853.3337	-1.2 mmu 
C43.H54.N7.O4.F1.S1.Cl2.		21.0	853.3319	+0.6 mmu 
C28.H50.N19.O5.F1.S1.Cl2.		14.0	853.3324	+0.1 mmu 
C27.H54.N15.O9.F1.S1.Cl2.		9.0	853.3311	+1.4 mmu 
C31.H58.N9.O11.F1.S1.Cl2.		8.0	853.3338	-1.3 mmu 
C30.H62.N5.O15.F1.S1.Cl2.		3.0	853.3324	+0.1 mmu 
C21.H47.N25.O4.F2.S1.Cl2.		11.0	853.3309	+1.6 mmu 
C40.H55.N7.O5.F2.S1.Cl2.		17.0	853.3331	-0.6 mmu 
C25.H51.N19.O6.F2.S1.Cl2.		10.0	853.3336	-1.1 mmu 
C39.H59.N3.O9.F2.S1.Cl2.		12.0	853.3317	+0.8 mmu 
C24.H55.N15.O10.F2.S1.Cl2.		5.0	853.3322	+0.3 mmu 
C23.H59.N11.O14.F2.S1.Cl2.		0.0	853.3309	+1.6 mmu 
C34.H48.N17.F3.S1.Cl2.		19.0	853.3328	-0.3 mmu 
C48.H56.N1.O3.F3.S1.Cl2.		21.0	853.3310	+1.5 mmu 
C33.H52.N13.O4.F3.S1.Cl2.		14.0	853.3315	+1.0 mmu 
C18.H48.N25.O5.F3.S1.Cl2.		7.0	853.3320	+0.5 mmu 
C37.H56.N7.O6.F3.S1.Cl2.		13.0	853.3342	-1.7 mmu 
C36.H60.N3.O10.F3.S1.Cl2.		8.0	853.3329	-0.4 mmu 
C21.H56.N15.O11.F3.S1.Cl2.		1.0	853.3334	-0.9 mmu 
C46.H53.N5.F4.S1.Cl2.		22.0	853.3335	-1.0 mmu 
C31.H49.N17.O1.F4.S1.Cl2.		15.0	853.3340	-1.5 mmu 
C45.H57.N1.O4.F4.S1.Cl2.		17.0	853.3321	+0.4 mmu 
C30.H53.N13.O5.F4.S1.Cl2.		10.0	853.3327	-0.2 mmu 
C29.H57.N9.O9.F4.S1.Cl2.		5.0	853.3313	+1.2 mmu 
C33.H61.N3.O11.F4.S1.Cl2.		4.0	853.3340	-1.5 mmu 
C24.H46.N23.F5.S1.Cl2.		12.0	853.3324	+0.1 mmu 
C23.H50.N19.O4.F5.S1.Cl2.		7.0	853.3311	+1.4 mmu 
C42.H58.N1.O5.F5.S1.Cl2.		13.0	853.3333	-0.8 mmu 
C27.H54.N13.O6.F5.S1.Cl2.		6.0	853.3338	-1.3 mmu 
C26.H58.N9.O10.F5.S1.Cl2.		1.0	853.3325	+0.0 mmu 
C36.H51.N11.F6.S1.Cl2.		15.0	853.3331	-0.6 mmu 
C21.H47.N23.O1.F6.S1.Cl2.		8.0	853.3336	-1.1 mmu 
C35.H55.N7.O4.F6.S1.Cl2.		10.0	853.3317	+0.8 mmu 
C20.H51.N19.O5.F6.S1.Cl2.		3.0	853.3323	+0.2 mmu 
C32.H56.N7.O5.F7.S1.Cl2.		6.0	853.3329	-0.4 mmu 
C31.H60.N3.O9.F7.S1.Cl2.		1.0	853.3316	+0.9 mmu 
C26.H49.N17.F8.S1.Cl2.		8.0	853.3327	-0.2 mmu 
C40.H57.N1.O3.F8.S1.Cl2.		10.0	853.3308	+1.7 mmu 
C25.H53.N13.O4.F8.S1.Cl2.		3.0	853.3313	+1.2 mmu 
C29.H57.N7.O6.F8.S1.Cl2.		2.0	853.3340	-1.5 mmu 
C38.H54.N5.F9.S1.Cl2.		11.0	853.3333	-0.8 mmu 
C23.H50.N17.O1.F9.S1.Cl2.		4.0	853.3338	-1.3 mmu 
C37.H58.N1.O4.F9.S1.Cl2.		6.0	853.3320	+0.5 mmu 
C16.H47.N23.F10.S1.Cl2.		1.0	853.3323	+0.2 mmu 
C34.H59.N1.O5.F10.S1.Cl2.		2.0	853.3331	-0.6 mmu 
C28.H52.N11.F11.S1.Cl2.		4.0	853.3329	-0.4 mmu 
C25.H53.N11.O1.F12.S1.Cl2.		0.0	853.3341	-1.6 mmu 
C45.H54.N9.P1.S1.Cl2.		26.0	853.3338	-1.3 mmu 
C44.H58.N5.O4.P1.S1.Cl2.		21.0	853.3324	+0.1 mmu 
C29.H54.N17.O5.P1.S1.Cl2.		14.0	853.3329	-0.4 mmu 
C43.H62.N1.O8.P1.S1.Cl2.		16.0	853.3311	+1.4 mmu 
C28.H58.N13.O9.P1.S1.Cl2.		9.0	853.3316	+0.9 mmu 
C31.H66.N3.O15.P1.S1.Cl2.		3.0	853.3329	-0.4 mmu 
C37.H55.N11.O3.F1.P1.S1.Cl2.		18.0	853.3309	+1.6 mmu 
C22.H51.N23.O4.F1.P1.S1.Cl2.		11.0	853.3314	+1.1 mmu 
C41.H59.N5.O5.F1.P1.S1.Cl2.		17.0	853.3336	-1.1 mmu 
C26.H55.N17.O6.F1.P1.S1.Cl2.		10.0	853.3341	-1.6 mmu 
C40.H63.N1.O9.F1.P1.S1.Cl2.		12.0	853.3322	+0.3 mmu 
C25.H59.N13.O10.F1.P1.S1.Cl2.		5.0	853.3327	-0.2 mmu 
C24.H63.N9.O14.F1.P1.S1.Cl2.		0.0	853.3314	+1.1 mmu 
C35.H52.N15.F2.P1.S1.Cl2.		19.0	853.3334	-0.9 mmu 
C34.H56.N11.O4.F2.P1.S1.Cl2.		14.0	853.3320	+0.5 mmu 
C19.H52.N23.O5.F2.P1.S1.Cl2.		7.0	853.3325	-0.0 mmu 
C37.H64.N1.O10.F2.P1.S1.Cl2.		8.0	853.3334	-0.9 mmu 
C22.H60.N13.O11.F2.P1.S1.Cl2.		1.0	853.3339	-1.4 mmu 
C47.H57.N3.F3.P1.S1.Cl2.		22.0	853.3340	-1.5 mmu 
C31.H57.N11.O5.F3.P1.S1.Cl2.		10.0	853.3332	-0.7 mmu 
C30.H61.N7.O9.F3.P1.S1.Cl2.		5.0	853.3318	+0.7 mmu 
C25.H50.N21.F4.P1.S1.Cl2.		12.0	853.3330	-0.5 mmu 
C39.H58.N5.O3.F4.P1.S1.Cl2.		14.0	853.3311	+1.4 mmu 
C24.H54.N17.O4.F4.P1.S1.Cl2.		7.0	853.3316	+0.9 mmu 
C27.H62.N7.O10.F4.P1.S1.Cl2.		1.0	853.3330	-0.5 mmu 
C37.H55.N9.F5.P1.S1.Cl2.		15.0	853.3336	-1.1 mmu 
C22.H51.N21.O1.F5.P1.S1.Cl2.		8.0	853.3341	-1.6 mmu 
C36.H59.N5.O4.F5.P1.S1.Cl2.		10.0	853.3323	+0.2 mmu 
C21.H55.N17.O5.F5.P1.S1.Cl2.		3.0	853.3328	-0.3 mmu 
C35.H63.N1.O8.F5.P1.S1.Cl2.		5.0	853.3309	+1.6 mmu 
C33.H60.N5.O5.F6.P1.S1.Cl2.		6.0	853.3334	-0.9 mmu 
C32.H64.N1.O9.F6.P1.S1.Cl2.		1.0	853.3321	+0.4 mmu 
C27.H53.N15.F7.P1.S1.Cl2.		8.0	853.3332	-0.7 mmu 
C26.H57.N11.O4.F7.P1.S1.Cl2.		3.0	853.3319	+0.6 mmu 
C39.H58.N3.F8.P1.S1.Cl2.		11.0	853.3338	-1.3 mmu 
C17.H51.N21.F9.P1.S1.Cl2.		1.0	853.3328	-0.3 mmu 
C31.H59.N5.O3.F9.P1.S1.Cl2.		3.0	853.3310	+1.5 mmu 
C29.H56.N9.F10.P1.S1.Cl2.		4.0	853.3334	-0.9 mmu 
C24.H51.N25.P2.S1.Cl2.		16.0	853.3332	-0.7 mmu 
C38.H59.N9.O3.P2.S1.Cl2.		18.0	853.3314	+1.1 mmu 
C23.H55.N21.O4.P2.S1.Cl2.		11.0	853.3319	+0.6 mmu 
C42.H63.N3.O5.P2.S1.Cl2.		17.0	853.3341	-1.6 mmu 
C26.H63.N11.O10.P2.S1.Cl2.		5.0	853.3332	-0.7 mmu 
C25.H67.N7.O14.P2.S1.Cl2.		0.0	853.3319	+0.6 mmu 
C36.H56.N13.F1.P2.S1.Cl2.		19.0	853.3339	-1.4 mmu 
C35.H60.N9.O4.F1.P2.S1.Cl2.		14.0	853.3325	-0.0 mmu 
C20.H56.N21.O5.F1.P2.S1.Cl2.		7.0	853.3330	-0.5 mmu 
C34.H64.N5.O8.F1.P2.S1.Cl2.		9.0	853.3312	+1.3 mmu 
C28.H57.N15.O3.F2.P2.S1.Cl2.		11.0	853.3310	+1.5 mmu 
C32.H61.N9.O5.F2.P2.S1.Cl2.		10.0	853.3337	-1.2 mmu 
C31.H65.N5.O9.F2.P2.S1.Cl2.		5.0	853.3323	+0.2 mmu 
C30.H69.N1.O13.F2.P2.S1.Cl2.		0.0	853.3310	+1.5 mmu 
C26.H54.N19.F3.P2.S1.Cl2.		12.0	853.3335	-1.0 mmu 
C40.H62.N3.O3.F3.P2.S1.Cl2.		14.0	853.3316	+0.9 mmu 
C25.H58.N15.O4.F3.P2.S1.Cl2.		7.0	853.3321	+0.4 mmu 
C28.H66.N5.O10.F3.P2.S1.Cl2.		1.0	853.3335	-1.0 mmu 
C38.H59.N7.F4.P2.S1.Cl2.		15.0	853.3341	-1.6 mmu 
C37.H63.N3.O4.F4.P2.S1.Cl2.		10.0	853.3328	-0.3 mmu 
C22.H59.N15.O5.F4.P2.S1.Cl2.		3.0	853.3333	-0.8 mmu 
C30.H60.N9.O3.F5.P2.S1.Cl2.		7.0	853.3312	+1.3 mmu 
C34.H64.N3.O5.F5.P2.S1.Cl2.		6.0	853.3339	-1.4 mmu 
C28.H57.N13.F6.P2.S1.Cl2.		8.0	853.3337	-1.2 mmu 
C27.H61.N9.O4.F6.P2.S1.Cl2.		3.0	853.3324	+0.1 mmu 
C20.H58.N15.O3.F7.P2.S1.Cl2.		0.0	853.3308	+1.7 mmu 
C32.H63.N3.O3.F8.P2.S1.Cl2.		3.0	853.3315	+1.0 mmu 
C30.H60.N7.F9.P2.S1.Cl2.		4.0	853.3339	-1.4 mmu 
C32.H63.N1.F12.P2.S1.Cl2.		0.0	853.3342	-1.7 mmu 
C36.H64.N7.O4.P3.S1.Cl2.		14.0	853.3330	-0.5 mmu 
C21.H60.N19.O5.P3.S1.Cl2.		7.0	853.3335	-1.0 mmu 
C35.H68.N3.O8.P3.S1.Cl2.		9.0	853.3317	+0.8 mmu 
C44.H65.N1.O2.F1.P3.S1.Cl2.		18.0	853.3310	+1.5 mmu 
C29.H61.N13.O3.F1.P3.S1.Cl2.		11.0	853.3315	+1.0 mmu 
C33.H65.N7.O5.F1.P3.S1.Cl2.		10.0	853.3342	-1.7 mmu 
C32.H69.N3.O9.F1.P3.S1.Cl2.		5.0	853.3328	-0.3 mmu 
C27.H58.N17.F2.P3.S1.Cl2.		12.0	853.3340	-1.5 mmu 
C41.H66.N1.O3.F2.P3.S1.Cl2.		14.0	853.3321	+0.4 mmu 
C26.H62.N13.O4.F2.P3.S1.Cl2.		7.0	853.3326	-0.1 mmu 
C25.H66.N9.O8.F2.P3.S1.Cl2.		2.0	853.3313	+1.2 mmu 
C29.H70.N3.O10.F2.P3.S1.Cl2.		1.0	853.3340	-1.5 mmu 
C38.H67.N1.O4.F3.P3.S1.Cl2.		10.0	853.3333	-0.8 mmu 
C23.H63.N13.O5.F3.P3.S1.Cl2.		3.0	853.3338	-1.3 mmu 
C31.H64.N7.O3.F4.P3.S1.Cl2.		7.0	853.3317	+0.8 mmu 
C28.H65.N7.O4.F5.P3.S1.Cl2.		3.0	853.3329	-0.4 mmu 
C36.H66.N1.O2.F6.P3.S1.Cl2.		7.0	853.3308	+1.7 mmu 
C21.H62.N13.O3.F6.P3.S1.Cl2.		0.0	853.3313	+1.2 mmu 
C33.H67.N1.O3.F7.P3.S1.Cl2.		3.0	853.3320	+0.5 mmu 
C30.H65.N11.O3.P4.S1.Cl2.		11.0	853.3320	+0.5 mmu 
C33.H73.N1.O9.P4.S1.Cl2.		5.0	853.3334	-0.9 mmu 
C27.H66.N11.O4.F1.P4.S1.Cl2.		7.0	853.3332	-0.7 mmu 
C26.H70.N7.O8.F1.P4.S1.Cl2.		2.0	853.3318	+0.7 mmu 
C35.H67.N5.O2.F2.P4.S1.Cl2.		11.0	853.3311	+1.4 mmu 
C32.H68.N5.O3.F3.P4.S1.Cl2.		7.0	853.3322	+0.3 mmu 
C31.H72.N1.O7.F3.P4.S1.Cl2.		2.0	853.3309	+1.6 mmu 
C29.H69.N5.O4.F4.P4.S1.Cl2.		3.0	853.3334	-0.9 mmu 
C22.H66.N11.O3.F5.P4.S1.Cl2.		0.0	853.3318	+0.7 mmu 
C27.H68.N5.O2.F7.P4.S1.Cl2.		0.0	853.3309	+1.6 mmu 
C24.H66.N15.O2.P5.S1.Cl2.		8.0	853.3310	+1.5 mmu 
C28.H70.N9.O4.P5.S1.Cl2.		7.0	853.3337	-1.2 mmu 
C27.H74.N5.O8.P5.S1.Cl2.		2.0	853.3323	+0.2 mmu 
C36.H71.N3.O2.F1.P5.S1.Cl2.		11.0	853.3316	+0.9 mmu 
C33.H72.N3.O3.F2.P5.S1.Cl2.		7.0	853.3328	-0.3 mmu 
C26.H69.N9.O2.F3.P5.S1.Cl2.		4.0	853.3312	+1.3 mmu 
C30.H73.N3.O4.F3.P5.S1.Cl2.		3.0	853.3339	-1.4 mmu 
C28.H72.N3.O2.F6.P5.S1.Cl2.		0.0	853.3315	+1.0 mmu 
C37.H75.N1.O2.P6.S1.Cl2.		11.0	853.3321	+0.4 mmu 
C34.H76.N1.O3.F1.P6.S1.Cl2.		7.0	853.3333	-0.8 mmu 
C27.H73.N7.O2.F2.P6.S1.Cl2.		4.0	853.3317	+0.8 mmu 
C32.H75.N1.O1.F4.P6.S1.Cl2.		4.0	853.3308	+1.7 mmu 
C29.H76.N1.O2.F5.P6.S1.Cl2.		0.0	853.3320	+0.5 mmu 
C31.H76.N5.O1.P7.S1.Cl2.		8.0	853.3311	+1.4 mmu 
C28.H77.N5.O2.F1.P7.S1.Cl2.		4.0	853.3322	+0.3 mmu 
C29.H81.N3.O2.P8.S1.Cl2.		4.0	853.3327	-0.2 mmu 
C54.H57.N1.S2.Cl2.		30.0	853.3309	+1.6 mmu 
C39.H53.N13.O1.S2.Cl2.		23.0	853.3315	+1.0 mmu 
C24.H49.N25.O2.S2.Cl2.		16.0	853.3320	+0.5 mmu 
C43.H57.N7.O3.S2.Cl2.		22.0	853.3341	-1.6 mmu 
C42.H61.N3.O7.S2.Cl2.		17.0	853.3328	-0.3 mmu 
C27.H57.N15.O8.S2.Cl2.		10.0	853.3333	-0.8 mmu 
C26.H61.N11.O12.S2.Cl2.		5.0	853.3320	+0.5 mmu 
C51.H58.N1.O1.F1.S2.Cl2.		26.0	853.3321	+0.4 mmu 
C36.H54.N13.O2.F1.S2.Cl2.		19.0	853.3326	-0.1 mmu 
C21.H50.N25.O3.F1.S2.Cl2.		12.0	853.3331	-0.6 mmu 
C35.H58.N9.O6.F1.S2.Cl2.		14.0	853.3313	+1.2 mmu 
C20.H54.N21.O7.F1.S2.Cl2.		7.0	853.3318	+0.7 mmu 
C39.H62.N3.O8.F1.S2.Cl2.		13.0	853.3339	-1.4 mmu 
C23.H62.N11.O13.F1.S2.Cl2.		1.0	853.3331	-0.6 mmu 
C29.H51.N19.O1.F2.S2.Cl2.		16.0	853.3311	+1.4 mmu 
C48.H59.N1.O2.F2.S2.Cl2.		22.0	853.3332	-0.7 mmu 
C33.H55.N13.O3.F2.S2.Cl2.		15.0	853.3337	-1.2 mmu 
C32.H59.N9.O7.F2.S2.Cl2.		10.0	853.3324	+0.1 mmu 
C31.H63.N5.O11.F2.S2.Cl2.		5.0	853.3311	+1.4 mmu 
C41.H56.N7.O1.F3.S2.Cl2.		19.0	853.3317	+0.8 mmu 
C26.H52.N19.O2.F3.S2.Cl2.		12.0	853.3322	+0.3 mmu 
C25.H56.N15.O6.F3.S2.Cl2.		7.0	853.3309	+1.6 mmu 
C29.H60.N9.O8.F3.S2.Cl2.		6.0	853.3335	-1.0 mmu 
C28.H64.N5.O12.F3.S2.Cl2.		1.0	853.3322	+0.3 mmu 
C38.H57.N7.O2.F4.S2.Cl2.		15.0	853.3328	-0.3 mmu 
C23.H53.N19.O3.F4.S2.Cl2.		8.0	853.3333	-0.8 mmu 
C37.H61.N3.O6.F4.S2.Cl2.		10.0	853.3315	+1.0 mmu 
C22.H57.N15.O7.F4.S2.Cl2.		3.0	853.3320	+0.5 mmu 
C31.H54.N13.O1.F5.S2.Cl2.		12.0	853.3313	+1.2 mmu 
C35.H58.N7.O3.F5.S2.Cl2.		11.0	853.3340	-1.5 mmu 
C34.H62.N3.O7.F5.S2.Cl2.		6.0	853.3326	-0.1 mmu 
C43.H59.N1.O1.F6.S2.Cl2.		15.0	853.3319	+0.6 mmu 
C28.H55.N13.O2.F6.S2.Cl2.		8.0	853.3324	+0.1 mmu 
C27.H59.N9.O6.F6.S2.Cl2.		3.0	853.3311	+1.4 mmu 
C31.H63.N3.O8.F6.S2.Cl2.		2.0	853.3338	-1.3 mmu 
C21.H52.N19.O1.F7.S2.Cl2.		5.0	853.3309	+1.6 mmu 
C40.H60.N1.O2.F7.S2.Cl2.		11.0	853.3331	-0.6 mmu 
C25.H56.N13.O3.F7.S2.Cl2.		4.0	853.3336	-1.1 mmu 
C33.H57.N7.O1.F8.S2.Cl2.		8.0	853.3315	+1.0 mmu 
C18.H53.N19.O2.F8.S2.Cl2.		1.0	853.3320	+0.5 mmu 
C30.H58.N7.O2.F9.S2.Cl2.		4.0	853.3327	-0.2 mmu 
C23.H55.N13.O1.F10.S2.Cl2.		1.0	853.3311	+1.4 mmu 
C27.H59.N7.O3.F10.S2.Cl2.		0.0	853.3338	-1.3 mmu 
C35.H60.N1.O1.F11.S2.Cl2.		4.0	853.3318	+0.7 mmu 
C32.H61.N1.O2.F12.S2.Cl2.		0.0	853.3329	-0.4 mmu 
C37.H58.N11.O2.P1.S2.Cl2.		19.0	853.3331	-0.6 mmu 
C22.H54.N23.O3.P1.S2.Cl2.		12.0	853.3336	-1.1 mmu 
C36.H62.N7.O6.P1.S2.Cl2.		14.0	853.3318	+0.7 mmu 
C21.H58.N19.O7.P1.S2.Cl2.		7.0	853.3323	+0.2 mmu 
C24.H66.N9.O13.P1.S2.Cl2.		1.0	853.3336	-1.1 mmu 
C45.H59.N5.F1.P1.S2.Cl2.		23.0	853.3311	+1.4 mmu 
C30.H55.N17.O1.F1.P1.S2.Cl2.		16.0	853.3316	+0.9 mmu 
C33.H63.N7.O7.F1.P1.S2.Cl2.		10.0	853.3329	-0.4 mmu 
C32.H67.N3.O11.F1.P1.S2.Cl2.		5.0	853.3316	+0.9 mmu 
C42.H60.N5.O1.F2.P1.S2.Cl2.		19.0	853.3322	+0.3 mmu 
C27.H56.N17.O2.F2.P1.S2.Cl2.		12.0	853.3327	-0.2 mmu 
C41.H64.N1.O5.F2.P1.S2.Cl2.		14.0	853.3309	+1.6 mmu 
C26.H60.N13.O6.F2.P1.S2.Cl2.		7.0	853.3314	+1.1 mmu 
C30.H64.N7.O8.F2.P1.S2.Cl2.		6.0	853.3341	-1.6 mmu 
C29.H68.N3.O12.F2.P1.S2.Cl2.		1.0	853.3327	-0.2 mmu 
C20.H53.N23.O1.F3.P1.S2.Cl2.		9.0	853.3312	+1.3 mmu 
C39.H61.N5.O2.F3.P1.S2.Cl2.		15.0	853.3333	-0.8 mmu 
C24.H57.N17.O3.F3.P1.S2.Cl2.		8.0	853.3338	-1.3 mmu 
C38.H65.N1.O6.F3.P1.S2.Cl2.		10.0	853.3320	+0.5 mmu 
C23.H61.N13.O7.F3.P1.S2.Cl2.		3.0	853.3325	-0.0 mmu 
C32.H58.N11.O1.F4.P1.S2.Cl2.		12.0	853.3318	+0.7 mmu 
C35.H66.N1.O7.F4.P1.S2.Cl2.		6.0	853.3331	-0.6 mmu 
C29.H59.N11.O2.F5.P1.S2.Cl2.		8.0	853.3329	-0.4 mmu 
C28.H63.N7.O6.F5.P1.S2.Cl2.		3.0	853.3316	+0.9 mmu 
C37.H60.N5.F6.P1.S2.Cl2.		12.0	853.3309	+1.6 mmu 
C22.H56.N17.O1.F6.P1.S2.Cl2.		5.0	853.3314	+1.1 mmu 
C26.H60.N11.O3.F6.P1.S2.Cl2.		4.0	853.3341	-1.6 mmu 
C34.H61.N5.O1.F7.P1.S2.Cl2.		8.0	853.3320	+0.5 mmu 
C19.H57.N17.O2.F7.P1.S2.Cl2.		1.0	853.3325	-0.0 mmu 
C31.H62.N5.O2.F8.P1.S2.Cl2.		4.0	853.3332	-0.7 mmu 
C24.H59.N11.O1.F9.P1.S2.Cl2.		1.0	853.3316	+0.9 mmu 
C46.H63.N3.P2.S2.Cl2.		23.0	853.3316	+0.9 mmu 
C31.H59.N15.O1.P2.S2.Cl2.		16.0	853.3321	+0.4 mmu 
C34.H67.N5.O7.P2.S2.Cl2.		10.0	853.3334	-0.9 mmu 
C33.H71.N1.O11.P2.S2.Cl2.		5.0	853.3321	+0.4 mmu 
C43.H64.N3.O1.F1.P2.S2.Cl2.		19.0	853.3327	-0.2 mmu 
C28.H60.N15.O2.F1.P2.S2.Cl2.		12.0	853.3332	-0.7 mmu 
C27.H64.N11.O6.F1.P2.S2.Cl2.		7.0	853.3319	+0.6 mmu 
C30.H72.N1.O12.F1.P2.S2.Cl2.		1.0	853.3332	-0.7 mmu 
C36.H61.N9.F2.P2.S2.Cl2.		16.0	853.3312	+1.3 mmu 
C21.H57.N21.O1.F2.P2.S2.Cl2.		9.0	853.3317	+0.8 mmu 
C40.H65.N3.O2.F2.P2.S2.Cl2.		15.0	853.3339	-1.4 mmu 
C24.H65.N11.O7.F2.P2.S2.Cl2.		3.0	853.3330	-0.5 mmu 
C33.H62.N9.O1.F3.P2.S2.Cl2.		12.0	853.3323	+0.2 mmu 
C32.H66.N5.O5.F3.P2.S2.Cl2.		7.0	853.3310	+1.5 mmu 
C30.H63.N9.O2.F4.P2.S2.Cl2.		8.0	853.3335	-1.0 mmu 
C29.H67.N5.O6.F4.P2.S2.Cl2.		3.0	853.3321	+0.4 mmu 
C38.H64.N3.F5.P2.S2.Cl2.		12.0	853.3314	+1.1 mmu 
C23.H60.N15.O1.F5.P2.S2.Cl2.		5.0	853.3319	+0.6 mmu 
C35.H65.N3.O1.F6.P2.S2.Cl2.		8.0	853.3326	-0.1 mmu 
C28.H62.N9.F7.P2.S2.Cl2.		5.0	853.3310	+1.5 mmu 
C32.H66.N3.O2.F7.P2.S2.Cl2.		4.0	853.3337	-1.2 mmu 
C25.H63.N9.O1.F8.P2.S2.Cl2.		1.0	853.3322	+0.3 mmu 
C30.H65.N3.F10.P2.S2.Cl2.		1.0	853.3313	+1.2 mmu 
C25.H60.N19.P3.S2.Cl2.		13.0	853.3310	+1.5 mmu 
C44.H68.N1.O1.P3.S2.Cl2.		19.0	853.3332	-0.7 mmu 
C29.H64.N13.O2.P3.S2.Cl2.		12.0	853.3337	-1.2 mmu 
C28.H68.N9.O6.P3.S2.Cl2.		7.0	853.3324	+0.1 mmu 
C27.H72.N5.O10.P3.S2.Cl2.		2.0	853.3310	+1.5 mmu 
C37.H65.N7.F1.P3.S2.Cl2.		16.0	853.3317	+0.8 mmu 
C22.H61.N19.O1.F1.P3.S2.Cl2.		9.0	853.3322	+0.3 mmu 
C25.H69.N9.O7.F1.P3.S2.Cl2.		3.0	853.3335	-1.0 mmu 
C34.H66.N7.O1.F2.P3.S2.Cl2.		12.0	853.3328	-0.3 mmu 
C33.H70.N3.O5.F2.P3.S2.Cl2.		7.0	853.3315	+1.0 mmu 
C27.H63.N13.F3.P3.S2.Cl2.		9.0	853.3313	+1.2 mmu 
C31.H67.N7.O2.F3.P3.S2.Cl2.		8.0	853.3340	-1.5 mmu 
C30.H71.N3.O6.F3.P3.S2.Cl2.		3.0	853.3326	-0.1 mmu 
C39.H68.N1.F4.P3.S2.Cl2.		12.0	853.3319	+0.6 mmu 
C24.H64.N13.O1.F4.P3.S2.Cl2.		5.0	853.3324	+0.1 mmu 
C23.H68.N9.O5.F4.P3.S2.Cl2.		0.0	853.3311	+1.4 mmu 
C36.H69.N1.O1.F5.P3.S2.Cl2.		8.0	853.3331	-0.6 mmu 
C29.H66.N7.F6.P3.S2.Cl2.		5.0	853.3315	+1.0 mmu 
C33.H70.N1.O2.F6.P3.S2.Cl2.		4.0	853.3342	-1.7 mmu 
C26.H67.N7.O1.F7.P3.S2.Cl2.		1.0	853.3327	-0.2 mmu 
C31.H69.N1.F9.P3.S2.Cl2.		1.0	853.3318	+0.7 mmu 
C38.H69.N5.P4.S2.Cl2.		16.0	853.3322	+0.3 mmu 
C23.H65.N17.O1.P4.S2.Cl2.		9.0	853.3327	-0.2 mmu 
C37.H73.N1.O4.P4.S2.Cl2.		11.0	853.3309	+1.6 mmu 
C26.H73.N7.O7.P4.S2.Cl2.		3.0	853.3340	-1.5 mmu 
C35.H70.N5.O1.F1.P4.S2.Cl2.		12.0	853.3333	-0.8 mmu 
C34.H74.N1.O5.F1.P4.S2.Cl2.		7.0	853.3320	+0.5 mmu 
C28.H67.N11.F2.P4.S2.Cl2.		9.0	853.3318	+0.7 mmu 
C31.H75.N1.O6.F2.P4.S2.Cl2.		3.0	853.3331	-0.6 mmu 
C25.H68.N11.O1.F3.P4.S2.Cl2.		5.0	853.3329	-0.4 mmu 
C24.H72.N7.O5.F3.P4.S2.Cl2.		0.0	853.3316	+0.9 mmu 
C30.H70.N5.F5.P4.S2.Cl2.		5.0	853.3320	+0.5 mmu 
C27.H71.N5.O1.F6.P4.S2.Cl2.		1.0	853.3332	-0.7 mmu 
C36.H74.N3.O1.P5.S2.Cl2.		12.0	853.3338	-1.3 mmu 
C29.H71.N9.F1.P5.S2.Cl2.		9.0	853.3323	+0.2 mmu 
C28.H75.N5.O4.F1.P5.S2.Cl2.		4.0	853.3310	+1.5 mmu 
C26.H72.N9.O1.F2.P5.S2.Cl2.		5.0	853.3334	-0.9 mmu 
C31.H74.N3.F4.P5.S2.Cl2.		5.0	853.3325	-0.0 mmu 
C28.H75.N3.O1.F5.P5.S2.Cl2.		1.0	853.3337	-1.2 mmu 
C30.H75.N7.P6.S2.Cl2.		9.0	853.3328	-0.3 mmu 
C29.H79.N3.O4.P6.S2.Cl2.		4.0	853.3315	+1.0 mmu 
C27.H76.N7.O1.F1.P6.S2.Cl2.		5.0	853.3340	-1.5 mmu 
C32.H78.N1.F3.P6.S2.Cl2.		5.0	853.3331	-0.6 mmu 
C29.H79.N1.O1.F4.P6.S2.Cl2.		1.0	853.3342	-1.7 mmu 
C31.H57.N15.O3.S3.Cl2.		16.0	853.3308	+1.7 mmu 
C35.H61.N9.O5.S3.Cl2.		15.0	853.3335	-1.0 mmu 
C20.H57.N21.O6.S3.Cl2.		8.0	853.3340	-1.5 mmu 
C34.H65.N5.O9.S3.Cl2.		10.0	853.3321	+0.4 mmu 
C33.H69.N1.O13.S3.Cl2.		5.0	853.3308	+1.7 mmu 
C29.H54.N19.F1.S3.Cl2.		17.0	853.3333	-0.8 mmu 
C43.H62.N3.O3.F1.S3.Cl2.		19.0	853.3314	+1.1 mmu 
C28.H58.N15.O4.F1.S3.Cl2.		12.0	853.3319	+0.6 mmu 
C31.H66.N5.O10.F1.S3.Cl2.		6.0	853.3333	-0.8 mmu 
C30.H70.N1.O14.F1.S3.Cl2.		1.0	853.3320	+0.5 mmu 
C41.H59.N7.F2.S3.Cl2.		20.0	853.3339	-1.4 mmu 
C40.H63.N3.O4.F2.S3.Cl2.		15.0	853.3326	-0.1 mmu 
C25.H59.N15.O5.F2.S3.Cl2.		8.0	853.3331	-0.6 mmu 
C24.H63.N11.O9.F2.S3.Cl2.		3.0	853.3317	+0.8 mmu 
C19.H52.N25.F3.S3.Cl2.		10.0	853.3329	-0.4 mmu 
C33.H60.N9.O3.F3.S3.Cl2.		12.0	853.3310	+1.5 mmu 
C37.H64.N3.O5.F3.S3.Cl2.		11.0	853.3337	-1.2 mmu 
C31.H57.N13.F4.S3.Cl2.		13.0	853.3335	-1.0 mmu 
C30.H61.N9.O4.F4.S3.Cl2.		8.0	853.3322	+0.3 mmu 
C29.H65.N5.O8.F4.S3.Cl2.		3.0	853.3308	+1.7 mmu 
C43.H62.N1.F5.S3.Cl2.		16.0	853.3342	-1.7 mmu 
C27.H62.N9.O5.F5.S3.Cl2.		4.0	853.3333	-0.8 mmu 
C21.H55.N19.F6.S3.Cl2.		6.0	853.3331	-0.6 mmu 
C35.H63.N3.O3.F6.S3.Cl2.		8.0	853.3313	+1.2 mmu 
C20.H59.N15.O4.F6.S3.Cl2.		1.0	853.3318	+0.7 mmu 
C33.H60.N7.F7.S3.Cl2.		9.0	853.3338	-1.3 mmu 
C32.H64.N3.O4.F7.S3.Cl2.		4.0	853.3324	+0.1 mmu 
C25.H61.N9.O3.F8.S3.Cl2.		1.0	853.3309	+1.6 mmu 
C29.H65.N3.O5.F8.S3.Cl2.		0.0	853.3336	-1.1 mmu 
C23.H58.N13.F9.S3.Cl2.		2.0	853.3334	-0.9 mmu 
C35.H63.N1.F10.S3.Cl2.		5.0	853.3340	-1.5 mmu 
C30.H58.N17.P1.S3.Cl2.		17.0	853.3338	-1.3 mmu 
C44.H66.N1.O3.P1.S3.Cl2.		19.0	853.3319	+0.6 mmu 
C29.H62.N13.O4.P1.S3.Cl2.		12.0	853.3325	+0.0 mmu 
C28.H66.N9.O8.P1.S3.Cl2.		7.0	853.3311	+1.4 mmu 
C32.H70.N3.O10.P1.S3.Cl2.		6.0	853.3338	-1.3 mmu 
C22.H59.N19.O3.F1.P1.S3.Cl2.		9.0	853.3309	+1.6 mmu 
C41.H67.N1.O4.F1.P1.S3.Cl2.		15.0	853.3331	-0.6 mmu 
C26.H63.N13.O5.F1.P1.S3.Cl2.		8.0	853.3336	-1.1 mmu 
C25.H67.N9.O9.F1.P1.S3.Cl2.		3.0	853.3323	+0.2 mmu 
C20.H56.N23.F2.P1.S3.Cl2.		10.0	853.3334	-0.9 mmu 
C34.H64.N7.O3.F2.P1.S3.Cl2.		12.0	853.3315	+1.0 mmu 
C32.H61.N11.F3.P1.S3.Cl2.		13.0	853.3340	-1.5 mmu 
C31.H65.N7.O4.F3.P1.S3.Cl2.		8.0	853.3327	-0.2 mmu 
C30.H69.N3.O8.F3.P1.S3.Cl2.		3.0	853.3314	+1.1 mmu 
C24.H62.N13.O3.F4.P1.S3.Cl2.		5.0	853.3311	+1.4 mmu 
C28.H66.N7.O5.F4.P1.S3.Cl2.		4.0	853.3338	-1.3 mmu 
C22.H59.N17.F5.P1.S3.Cl2.		6.0	853.3336	-1.1 mmu 
C36.H67.N1.O3.F5.P1.S3.Cl2.		8.0	853.3318	+0.7 mmu 
C21.H63.N13.O4.F5.P1.S3.Cl2.		1.0	853.3323	+0.2 mmu 
C33.H68.N1.O4.F6.P1.S3.Cl2.		4.0	853.3329	-0.4 mmu 
C26.H65.N7.O3.F7.P1.S3.Cl2.		1.0	853.3314	+1.1 mmu 
C30.H69.N1.O5.F7.P1.S3.Cl2.		0.0	853.3341	-1.6 mmu 
C24.H62.N11.F8.P1.S3.Cl2.		2.0	853.3339	-1.4 mmu 
C38.H67.N5.O2.P2.S3.Cl2.		16.0	853.3309	+1.6 mmu 
C23.H63.N17.O3.P2.S3.Cl2.		9.0	853.3314	+1.1 mmu 
C27.H67.N11.O5.P2.S3.Cl2.		8.0	853.3341	-1.6 mmu 
C26.H71.N7.O9.P2.S3.Cl2.		3.0	853.3328	-0.3 mmu 
C21.H60.N21.F1.P2.S3.Cl2.		10.0	853.3339	-1.4 mmu 
C35.H68.N5.O3.F1.P2.S3.Cl2.		12.0	853.3321	+0.4 mmu 
C32.H69.N5.O4.F2.P2.S3.Cl2.		8.0	853.3332	-0.7 mmu 
C31.H73.N1.O8.F2.P2.S3.Cl2.		3.0	853.3319	+0.6 mmu 
C25.H66.N11.O3.F3.P2.S3.Cl2.		5.0	853.3317	+0.8 mmu 
C23.H63.N15.F4.P2.S3.Cl2.		6.0	853.3341	-1.6 mmu 
C27.H69.N5.O3.F6.P2.S3.Cl2.		1.0	853.3319	+0.6 mmu 
C36.H72.N3.O3.P3.S3.Cl2.		12.0	853.3326	-0.1 mmu 
C29.H69.N9.O2.F1.P3.S3.Cl2.		9.0	853.3310	+1.5 mmu 
C33.H73.N3.O4.F1.P3.S3.Cl2.		8.0	853.3337	-1.2 mmu 
C26.H70.N9.O3.F2.P3.S3.Cl2.		5.0	853.3322	+0.3 mmu 
C25.H74.N5.O7.F2.P3.S3.Cl2.		0.0	853.3308	+1.7 mmu 
C31.H72.N3.O2.F4.P3.S3.Cl2.		5.0	853.3313	+1.2 mmu 
C28.H73.N3.O3.F5.P3.S3.Cl2.		1.0	853.3324	+0.1 mmu 
C30.H73.N7.O2.P4.S3.Cl2.		9.0	853.3315	+1.0 mmu 
C27.H74.N7.O3.F1.P4.S3.Cl2.		5.0	853.3327	-0.2 mmu 
C26.H78.N3.O7.F1.P4.S3.Cl2.		0.0	853.3313	+1.2 mmu 
C32.H76.N1.O2.F3.P4.S3.Cl2.		5.0	853.3318	+0.7 mmu 
C29.H77.N1.O3.F4.P4.S3.Cl2.		1.0	853.3329	-0.4 mmu 
C28.H78.N5.O3.P5.S3.Cl2.		5.0	853.3332	-0.7 mmu 
C27.H81.N3.O1.F2.P6.S3.Cl2.		2.0	853.3313	+1.2 mmu 
C39.H61.N9.S4.Cl2.		21.0	853.3310	+1.5 mmu 
C24.H57.N21.O1.S4.Cl2.		14.0	853.3315	+1.0 mmu 
C43.H65.N3.O2.S4.Cl2.		20.0	853.3337	-1.2 mmu 
C28.H61.N15.O3.S4.Cl2.		13.0	853.3342	-1.7 mmu 
C27.H65.N11.O7.S4.Cl2.		8.0	853.3328	-0.3 mmu 
C26.H69.N7.O11.S4.Cl2.		3.0	853.3315	+1.0 mmu 
C30.H73.N1.O13.S4.Cl2.		2.0	853.3342	-1.7 mmu 
C36.H62.N9.O1.F1.S4.Cl2.		17.0	853.3321	+0.4 mmu 
C21.H58.N21.O2.F1.S4.Cl2.		10.0	853.3326	-0.1 mmu 
C24.H66.N11.O8.F1.S4.Cl2.		4.0	853.3340	-1.5 mmu 
C33.H63.N9.O2.F2.S4.Cl2.		13.0	853.3333	-0.8 mmu 
C32.H67.N5.O6.F2.S4.Cl2.		8.0	853.3319	+0.6 mmu 
C41.H64.N3.F3.S4.Cl2.		17.0	853.3312	+1.3 mmu 
C26.H60.N15.O1.F3.S4.Cl2.		10.0	853.3317	+0.8 mmu 
C29.H68.N5.O7.F3.S4.Cl2.		4.0	853.3331	-0.6 mmu 
C38.H65.N3.O1.F4.S4.Cl2.		13.0	853.3324	+0.1 mmu 
C23.H61.N15.O2.F4.S4.Cl2.		6.0	853.3329	-0.4 mmu 
C22.H65.N11.O6.F4.S4.Cl2.		1.0	853.3315	+1.0 mmu 
C31.H62.N9.F5.S4.Cl2.		10.0	853.3308	+1.7 mmu 
C35.H66.N3.O2.F5.S4.Cl2.		9.0	853.3335	-1.0 mmu 
C28.H63.N9.O1.F6.S4.Cl2.		6.0	853.3320	+0.5 mmu 
C25.H64.N9.O2.F7.S4.Cl2.		2.0	853.3331	-0.6 mmu 
C33.H65.N3.F8.S4.Cl2.		6.0	853.3311	+1.4 mmu 
C30.H66.N3.O1.F9.S4.Cl2.		2.0	853.3322	+0.3 mmu 
C37.H66.N7.O1.P1.S4.Cl2.		17.0	853.3326	-0.1 mmu 
C22.H62.N19.O2.P1.S4.Cl2.		10.0	853.3331	-0.6 mmu 
C36.H70.N3.O5.P1.S4.Cl2.		12.0	853.3313	+1.2 mmu 
C30.H63.N13.F1.P1.S4.Cl2.		14.0	853.3311	+1.4 mmu 
C34.H67.N7.O2.F1.P1.S4.Cl2.		13.0	853.3338	-1.3 mmu 
C33.H71.N3.O6.F1.P1.S4.Cl2.		8.0	853.3324	+0.1 mmu 
C42.H68.N1.F2.P1.S4.Cl2.		17.0	853.3317	+0.8 mmu 
C27.H64.N13.O1.F2.P1.S4.Cl2.		10.0	853.3322	+0.3 mmu 
C26.H68.N9.O5.F2.P1.S4.Cl2.		5.0	853.3309	+1.6 mmu 
C30.H72.N3.O7.F2.P1.S4.Cl2.		4.0	853.3336	-1.1 mmu 
C39.H69.N1.O1.F3.P1.S4.Cl2.		13.0	853.3329	-0.4 mmu 
C24.H65.N13.O2.F3.P1.S4.Cl2.		6.0	853.3334	-0.9 mmu 
C23.H69.N9.O6.F3.P1.S4.Cl2.		1.0	853.3320	+0.5 mmu 
C32.H66.N7.F4.P1.S4.Cl2.		10.0	853.3313	+1.2 mmu 
C36.H70.N1.O2.F4.P1.S4.Cl2.		9.0	853.3340	-1.5 mmu 
C29.H67.N7.O1.F5.P1.S4.Cl2.		6.0	853.3325	+0.0 mmu 
C28.H71.N3.O5.F5.P1.S4.Cl2.		1.0	853.3311	+1.4 mmu 
C22.H64.N13.F6.P1.S4.Cl2.		3.0	853.3309	+1.6 mmu 
C26.H68.N7.O2.F6.P1.S4.Cl2.		2.0	853.3336	-1.1 mmu 
C34.H69.N1.F7.P1.S4.Cl2.		6.0	853.3316	+0.9 mmu 
C31.H70.N1.O1.F8.P1.S4.Cl2.		2.0	853.3327	-0.2 mmu 
C31.H67.N11.P2.S4.Cl2.		14.0	853.3316	+0.9 mmu 
C34.H75.N1.O6.P2.S4.Cl2.		8.0	853.3330	-0.5 mmu 
C28.H68.N11.O1.F1.P2.S4.Cl2.		10.0	853.3327	-0.2 mmu 
C27.H72.N7.O5.F1.P2.S4.Cl2.		5.0	853.3314	+1.1 mmu 
C31.H76.N1.O7.F1.P2.S4.Cl2.		4.0	853.3341	-1.6 mmu 
C25.H69.N11.O2.F2.P2.S4.Cl2.		6.0	853.3339	-1.4 mmu 
C33.H70.N5.F3.P2.S4.Cl2.		10.0	853.3318	+0.7 mmu 
C30.H71.N5.O1.F4.P2.S4.Cl2.		6.0	853.3330	-0.5 mmu 
C29.H75.N1.O5.F4.P2.S4.Cl2.		1.0	853.3316	+0.9 mmu 
C23.H68.N11.F5.P2.S4.Cl2.		3.0	853.3314	+1.1 mmu 
C27.H72.N5.O2.F5.P2.S4.Cl2.		2.0	853.3341	-1.6 mmu 
C29.H72.N9.O1.P3.S4.Cl2.		10.0	853.3333	-0.8 mmu 
C28.H76.N5.O5.P3.S4.Cl2.		5.0	853.3319	+0.6 mmu 
C34.H74.N3.F2.P3.S4.Cl2.		10.0	853.3324	+0.1 mmu 
C31.H75.N3.O1.F3.P3.S4.Cl2.		6.0	853.3335	-1.0 mmu 
C24.H72.N9.F4.P3.S4.Cl2.		3.0	853.3320	+0.5 mmu 
C35.H78.N1.F1.P4.S4.Cl2.		10.0	853.3329	-0.4 mmu 
C32.H79.N1.O1.F2.P4.S4.Cl2.		6.0	853.3340	-1.5 mmu 
C35.H69.N5.O4.S5.Cl2.		13.0	853.3330	-0.5 mmu 
C34.H73.N1.O8.S5.Cl2.		8.0	853.3317	+0.8 mmu 
C28.H66.N11.O3.F1.S5.Cl2.		10.0	853.3315	+1.0 mmu 
C32.H70.N5.O5.F1.S5.Cl2.		9.0	853.3342	-1.7 mmu 
C31.H74.N1.O9.F1.S5.Cl2.		4.0	853.3328	-0.3 mmu 
C26.H63.N15.F2.S5.Cl2.		11.0	853.3340	-1.5 mmu 
C25.H67.N11.O4.F2.S5.Cl2.		6.0	853.3326	-0.1 mmu 
C24.H71.N7.O8.F2.S5.Cl2.		1.0	853.3313	+1.2 mmu 
C28.H75.N1.O10.F2.S5.Cl2.		0.0	853.3340	-1.5 mmu 
C30.H69.N5.O3.F4.S5.Cl2.		6.0	853.3317	+0.8 mmu 
C28.H66.N9.F5.S5.Cl2.		7.0	853.3342	-1.7 mmu 
C27.H70.N5.O4.F5.S5.Cl2.		2.0	853.3329	-0.4 mmu 
C29.H70.N9.O3.P1.S5.Cl2.		10.0	853.3320	+0.5 mmu 
C26.H71.N9.O4.F1.P1.S5.Cl2.		6.0	853.3331	-0.6 mmu 
C25.H75.N5.O8.F1.P1.S5.Cl2.		1.0	853.3318	+0.7 mmu 
C34.H72.N3.O2.F2.P1.S5.Cl2.		10.0	853.3311	+1.4 mmu 
C31.H73.N3.O3.F3.P1.S5.Cl2.		6.0	853.3322	+0.3 mmu 
C28.H74.N3.O4.F4.P1.S5.Cl2.		2.0	853.3334	-0.9 mmu 
C27.H75.N7.O4.P2.S5.Cl2.		6.0	853.3336	-1.1 mmu 
C35.H76.N1.O2.F1.P2.S5.Cl2.		10.0	853.3316	+0.9 mmu 
C32.H77.N1.O3.F2.P2.S5.Cl2.		6.0	853.3327	-0.2 mmu 
C25.H74.N7.O2.F3.P2.S5.Cl2.		3.0	853.3312	+1.3 mmu 
C29.H78.N1.O4.F3.P2.S5.Cl2.		2.0	853.3339	-1.4 mmu 
C26.H78.N5.O2.F2.P3.S5.Cl2.		3.0	853.3317	+0.8 mmu 
C30.H81.N3.O1.P4.S5.Cl2.		7.0	853.3311	+1.4 mmu 
C24.H65.N17.S6.Cl2.		12.0	853.3310	+1.5 mmu 
C28.H69.N11.O2.S6.Cl2.		11.0	853.3337	-1.2 mmu 
C27.H73.N7.O6.S6.Cl2.		6.0	853.3324	+0.1 mmu 
C26.H77.N3.O10.S6.Cl2.		1.0	853.3310	+1.5 mmu 
C36.H70.N5.F1.S6.Cl2.		15.0	853.3317	+0.8 mmu 
C33.H71.N5.O1.F2.S6.Cl2.		11.0	853.3328	-0.3 mmu 
C32.H75.N1.O5.F2.S6.Cl2.		6.0	853.3315	+1.0 mmu 
C26.H68.N11.F3.S6.Cl2.		8.0	853.3313	+1.2 mmu 
C30.H72.N5.O2.F3.S6.Cl2.		7.0	853.3339	-1.4 mmu 
C29.H76.N1.O6.F3.S6.Cl2.		2.0	853.3326	-0.1 mmu 
C23.H69.N11.O1.F4.S6.Cl2.		4.0	853.3324	+0.1 mmu 
C28.H71.N5.F6.S6.Cl2.		4.0	853.3315	+1.0 mmu 
C25.H72.N5.O1.F7.S6.Cl2.		0.0	853.3326	-0.1 mmu 
C37.H74.N3.P1.S6.Cl2.		15.0	853.3322	+0.3 mmu 
C34.H75.N3.O1.F1.P1.S6.Cl2.		11.0	853.3333	-0.8 mmu 
C27.H72.N9.F2.P1.S6.Cl2.		8.0	853.3318	+0.7 mmu 
C29.H75.N3.F5.P1.S6.Cl2.		4.0	853.3320	+0.5 mmu 
C26.H76.N3.O1.F6.P1.S6.Cl2.		0.0	853.3331	-0.6 mmu 
C35.H79.N1.O1.P2.S6.Cl2.		11.0	853.3338	-1.3 mmu 
C28.H76.N7.F1.P2.S6.Cl2.		8.0	853.3323	+0.2 mmu 
C27.H80.N3.O4.F1.P2.S6.Cl2.		3.0	853.3309	+1.6 mmu 
C30.H79.N1.F4.P2.S6.Cl2.		4.0	853.3325	-0.0 mmu 
C27.H80.N1.O1.F5.P2.S6.Cl2.		0.0	853.3337	-1.2 mmu 
C29.H80.N5.P3.S6.Cl2.		8.0	853.3328	-0.3 mmu 
C28.H84.N1.O4.P3.S6.Cl2.		3.0	853.3314	+1.1 mmu 
C35.H77.N1.O3.S7.Cl2.		11.0	853.3325	-0.0 mmu 
C28.H74.N7.O2.F1.S7.Cl2.		8.0	853.3310	+1.5 mmu 
C32.H78.N1.O4.F1.S7.Cl2.		7.0	853.3337	-1.2 mmu 
C25.H75.N7.O3.F2.S7.Cl2.		4.0	853.3321	+0.4 mmu 
C30.H77.N1.O2.F4.S7.Cl2.		4.0	853.3312	+1.3 mmu 
C27.H78.N1.O3.F5.S7.Cl2.		0.0	853.3324	+0.1 mmu 
C29.H78.N5.O2.P1.S7.Cl2.		8.0	853.3315	+1.0 mmu 
C28.H77.N7.O1.S8.Cl2.		9.0	853.3332	-0.7 mmu 
C27.H81.N3.O5.S8.Cl2.		4.0	853.3319	+0.6 mmu 
C33.H79.N1.F2.S8.Cl2.		9.0	853.3323	+0.2 mmu 
C30.H80.N1.O1.F3.S8.Cl2.		5.0	853.3335	-1.0 mmu 
C29.H86.N1.O1.P1.S9.Cl2.		6.0	853.3310	+1.5 mmu 
C34.H46.N21.Cl3.		21.0	853.3311	+1.4 mmu 
C53.H54.N3.O1.Cl3.		27.0	853.3332	-0.7 mmu 
C38.H50.N15.O2.Cl3.		20.0	853.3337	-1.2 mmu 
C37.H54.N11.O6.Cl3.		15.0	853.3324	+0.1 mmu 
C22.H50.N23.O7.Cl3.		8.0	853.3329	-0.4 mmu 
C36.H58.N7.O10.Cl3.		10.0	853.3311	+1.4 mmu 
C21.H54.N19.O11.Cl3.		3.0	853.3316	+0.9 mmu 
C40.H62.N1.O12.Cl3.		9.0	853.3338	-1.3 mmu 
C46.H51.N9.F1.Cl3.		24.0	853.3317	+0.8 mmu 
C31.H47.N21.O1.F1.Cl3.		17.0	853.3322	+0.3 mmu 
C30.H51.N17.O5.F1.Cl3.		12.0	853.3309	+1.6 mmu 
C34.H55.N11.O7.F1.Cl3.		11.0	853.3336	-1.1 mmu 
C19.H51.N23.O8.F1.Cl3.		4.0	853.3341	-1.6 mmu 
C33.H59.N7.O11.F1.Cl3.		6.0	853.3322	+0.3 mmu 
C32.H63.N3.O15.F1.Cl3.		1.0	853.3309	+1.6 mmu 
C43.H52.N9.O1.F2.Cl3.		20.0	853.3328	-0.3 mmu 
C28.H48.N21.O2.F2.Cl3.		13.0	853.3333	-0.8 mmu 
C42.H56.N5.O5.F2.Cl3.		15.0	853.3315	+1.0 mmu 
C27.H52.N17.O6.F2.Cl3.		8.0	853.3320	+0.5 mmu 
C30.H60.N7.O12.F2.Cl3.		2.0	853.3334	-0.9 mmu 
C36.H49.N15.F3.Cl3.		17.0	853.3313	+1.2 mmu 
C40.H53.N9.O2.F3.Cl3.		16.0	853.3340	-1.5 mmu 
C39.H57.N5.O6.F3.Cl3.		11.0	853.3327	-0.2 mmu 
C24.H53.N17.O7.F3.Cl3.		4.0	853.3332	-0.7 mmu 
C38.H61.N1.O10.F3.Cl3.		6.0	853.3313	+1.2 mmu 
C48.H54.N3.F4.Cl3.		20.0	853.3319	+0.6 mmu 
C33.H50.N15.O1.F4.Cl3.		13.0	853.3324	+0.1 mmu 
C32.H54.N11.O5.F4.Cl3.		8.0	853.3311	+1.4 mmu 
C17.H50.N23.O6.F4.Cl3.		1.0	853.3316	+0.9 mmu 
C36.H58.N5.O7.F4.Cl3.		7.0	853.3338	-1.3 mmu 
C35.H62.N1.O11.F4.Cl3.		2.0	853.3325	+0.0 mmu 
C26.H47.N21.F5.Cl3.		10.0	853.3309	+1.6 mmu 
C45.H55.N3.O1.F5.Cl3.		16.0	853.3331	-0.6 mmu 
C30.H51.N15.O2.F5.Cl3.		9.0	853.3336	-1.1 mmu 
C29.H55.N11.O6.F5.Cl3.		4.0	853.3323	+0.2 mmu 
C38.H52.N9.F6.Cl3.		13.0	853.3315	+1.0 mmu 
C23.H48.N21.O1.F6.Cl3.		6.0	853.3320	+0.5 mmu 
C26.H56.N11.O7.F6.Cl3.		0.0	853.3334	-0.9 mmu 
C35.H53.N9.O1.F7.Cl3.		9.0	853.3327	-0.2 mmu 
C20.H49.N21.O2.F7.Cl3.		2.0	853.3332	-0.7 mmu 
C34.H57.N5.O5.F7.Cl3.		4.0	853.3314	+1.1 mmu 
C28.H50.N15.F8.Cl3.		6.0	853.3311	+1.4 mmu 
C32.H54.N9.O2.F8.Cl3.		5.0	853.3338	-1.3 mmu 
C31.H58.N5.O6.F8.Cl3.		0.0	853.3325	+0.0 mmu 
C40.H55.N3.F9.Cl3.		9.0	853.3318	+0.7 mmu 
C25.H51.N15.O1.F9.Cl3.		2.0	853.3323	+0.2 mmu 
C37.H56.N3.O1.F10.Cl3.		5.0	853.3329	-0.4 mmu 
C30.H53.N9.F11.Cl3.		2.0	853.3314	+1.1 mmu 
C34.H57.N3.O2.F11.Cl3.		1.0	853.3341	-1.6 mmu 
C47.H55.N7.P1.Cl3.		24.0	853.3322	+0.3 mmu 
C32.H51.N19.O1.P1.Cl3.		17.0	853.3327	-0.2 mmu 
C46.H59.N3.O4.P1.Cl3.		19.0	853.3309	+1.6 mmu 
C31.H55.N15.O5.P1.Cl3.		12.0	853.3314	+1.1 mmu 
C35.H59.N9.O7.P1.Cl3.		11.0	853.3341	-1.6 mmu 
C34.H63.N5.O11.P1.Cl3.		6.0	853.3327	-0.2 mmu 
C33.H67.N1.O15.P1.Cl3.		1.0	853.3314	+1.1 mmu 
C25.H48.N25.F1.P1.Cl3.		14.0	853.3312	+1.3 mmu 
C44.H56.N7.O1.F1.P1.Cl3.		20.0	853.3334	-0.9 mmu 
C29.H52.N19.O2.F1.P1.Cl3.		13.0	853.3339	-1.4 mmu 
C43.H60.N3.O5.F1.P1.Cl3.		15.0	853.3320	+0.5 mmu 
C28.H56.N15.O6.F1.P1.Cl3.		8.0	853.3325	-0.0 mmu 
C27.H60.N11.O10.F1.P1.Cl3.		3.0	853.3312	+1.3 mmu 
C31.H64.N5.O12.F1.P1.Cl3.		2.0	853.3339	-1.4 mmu 
C37.H53.N13.F2.P1.Cl3.		17.0	853.3318	+0.7 mmu 
C22.H49.N25.O1.F2.P1.Cl3.		10.0	853.3323	+0.2 mmu 
C21.H53.N21.O5.F2.P1.Cl3.		5.0	853.3310	+1.5 mmu 
C40.H61.N3.O6.F2.P1.Cl3.		11.0	853.3332	-0.7 mmu 
C25.H57.N15.O7.F2.P1.Cl3.		4.0	853.3337	-1.2 mmu 
C49.H58.N1.F3.P1.Cl3.		20.0	853.3325	+0.0 mmu 
C34.H54.N13.O1.F3.P1.Cl3.		13.0	853.3330	-0.5 mmu 
C19.H50.N25.O2.F3.P1.Cl3.		6.0	853.3335	-1.0 mmu 
C33.H58.N9.O5.F3.P1.Cl3.		8.0	853.3316	+0.9 mmu 
C18.H54.N21.O6.F3.P1.Cl3.		1.0	853.3321	+0.4 mmu 
C27.H51.N19.F4.P1.Cl3.		10.0	853.3314	+1.1 mmu 
C46.H59.N1.O1.F4.P1.Cl3.		16.0	853.3336	-1.1 mmu 
C31.H55.N13.O2.F4.P1.Cl3.		9.0	853.3341	-1.6 mmu 
C30.H59.N9.O6.F4.P1.Cl3.		4.0	853.3328	-0.3 mmu 
C39.H56.N7.F5.P1.Cl3.		13.0	853.3321	+0.4 mmu 
C24.H52.N19.O1.F5.P1.Cl3.		6.0	853.3326	-0.1 mmu 
C23.H56.N15.O5.F5.P1.Cl3.		1.0	853.3312	+1.3 mmu 
C27.H60.N9.O7.F5.P1.Cl3.		0.0	853.3339	-1.4 mmu 
C17.H49.N25.F6.P1.Cl3.		3.0	853.3310	+1.5 mmu 
C36.H57.N7.O1.F6.P1.Cl3.		9.0	853.3332	-0.7 mmu 
C21.H53.N19.O2.F6.P1.Cl3.		2.0	853.3337	-1.2 mmu 
C35.H61.N3.O5.F6.P1.Cl3.		4.0	853.3319	+0.6 mmu 
C29.H54.N13.F7.P1.Cl3.		6.0	853.3317	+0.8 mmu 
C32.H62.N3.O6.F7.P1.Cl3.		0.0	853.3330	-0.5 mmu 
C41.H59.N1.F8.P1.Cl3.		9.0	853.3323	+0.2 mmu 
C26.H55.N13.O1.F8.P1.Cl3.		2.0	853.3328	-0.3 mmu 
C38.H60.N1.O1.F9.P1.Cl3.		5.0	853.3334	-0.9 mmu 
C31.H57.N7.F10.P1.Cl3.		2.0	853.3319	+0.6 mmu 
C26.H52.N23.P2.Cl3.		14.0	853.3317	+0.8 mmu 
C45.H60.N5.O1.P2.Cl3.		20.0	853.3339	-1.4 mmu 
C44.H64.N1.O5.P2.Cl3.		15.0	853.3325	-0.0 mmu 
C29.H60.N13.O6.P2.Cl3.		8.0	853.3330	-0.5 mmu 
C28.H64.N9.O10.P2.Cl3.		3.0	853.3317	+0.8 mmu 
C38.H57.N11.F1.P2.Cl3.		17.0	853.3323	+0.2 mmu 
C23.H53.N23.O1.F1.P2.Cl3.		10.0	853.3328	-0.3 mmu 
C37.H61.N7.O4.F1.P2.Cl3.		12.0	853.3310	+1.5 mmu 
C22.H57.N19.O5.F1.P2.Cl3.		5.0	853.3315	+1.0 mmu 
C41.H65.N1.O6.F1.P2.Cl3.		11.0	853.3337	-1.2 mmu 
C26.H61.N13.O7.F1.P2.Cl3.		4.0	853.3342	-1.7 mmu 
C35.H58.N11.O1.F2.P2.Cl3.		13.0	853.3335	-1.0 mmu 
C20.H54.N23.O2.F2.P2.Cl3.		6.0	853.3340	-1.5 mmu 
C34.H62.N7.O5.F2.P2.Cl3.		8.0	853.3321	+0.4 mmu 
C28.H55.N17.F3.P2.Cl3.		10.0	853.3319	+0.6 mmu 
C31.H63.N7.O6.F3.P2.Cl3.		4.0	853.3333	-0.8 mmu 
C40.H60.N5.F4.P2.Cl3.		13.0	853.3326	-0.1 mmu 
C25.H56.N17.O1.F4.P2.Cl3.		6.0	853.3331	-0.6 mmu 
C39.H64.N1.O4.F4.P2.Cl3.		8.0	853.3312	+1.3 mmu 
C24.H60.N13.O5.F4.P2.Cl3.		1.0	853.3317	+0.8 mmu 
C18.H53.N23.F5.P2.Cl3.		3.0	853.3315	+1.0 mmu 
C37.H61.N5.O1.F5.P2.Cl3.		9.0	853.3337	-1.2 mmu 
C36.H65.N1.O5.F5.P2.Cl3.		4.0	853.3324	+0.1 mmu 
C30.H58.N11.F6.P2.Cl3.		6.0	853.3322	+0.3 mmu 
C29.H62.N7.O4.F6.P2.Cl3.		1.0	853.3308	+1.7 mmu 
C33.H66.N1.O6.F6.P2.Cl3.		0.0	853.3335	-1.0 mmu 
C27.H59.N11.O1.F7.P2.Cl3.		2.0	853.3333	-0.8 mmu 
C32.H61.N5.F9.P2.Cl3.		2.0	853.3324	+0.1 mmu 
C39.H61.N9.P3.Cl3.		17.0	853.3328	-0.3 mmu 
C24.H57.N21.O1.P3.Cl3.		10.0	853.3333	-0.8 mmu 
C38.H65.N5.O4.P3.Cl3.		12.0	853.3315	+1.0 mmu 
C23.H61.N17.O5.P3.Cl3.		5.0	853.3320	+0.5 mmu 
C36.H62.N9.O1.F1.P3.Cl3.		13.0	853.3340	-1.5 mmu 
C35.H66.N5.O5.F1.P3.Cl3.		8.0	853.3326	-0.1 mmu 
C34.H70.N1.O9.F1.P3.Cl3.		3.0	853.3313	+1.2 mmu 
C29.H59.N15.F2.P3.Cl3.		10.0	853.3324	+0.1 mmu 
C28.H63.N11.O4.F2.P3.Cl3.		5.0	853.3311	+1.4 mmu 
C32.H67.N5.O6.F2.P3.Cl3.		4.0	853.3338	-1.3 mmu 
C41.H64.N3.F3.P3.Cl3.		13.0	853.3331	-0.6 mmu 
C26.H60.N15.O1.F3.P3.Cl3.		6.0	853.3336	-1.1 mmu 
C25.H64.N11.O5.F3.P3.Cl3.		1.0	853.3322	+0.3 mmu 
C19.H57.N21.F4.P3.Cl3.		3.0	853.3320	+0.5 mmu 
C31.H62.N9.F5.P3.Cl3.		6.0	853.3327	-0.2 mmu 
C30.H66.N5.O4.F5.P3.Cl3.		1.0	853.3313	+1.2 mmu 
C28.H63.N9.O1.F6.P3.Cl3.		2.0	853.3338	-1.3 mmu 
C33.H65.N3.F8.P3.Cl3.		2.0	853.3329	-0.4 mmu 
C36.H70.N3.O5.P4.Cl3.		8.0	853.3332	-0.7 mmu 
C30.H63.N13.F1.P4.Cl3.		10.0	853.3329	-0.4 mmu 
C29.H67.N9.O4.F1.P4.Cl3.		5.0	853.3316	+0.9 mmu 
C42.H68.N1.F2.P4.Cl3.		13.0	853.3336	-1.1 mmu 
C27.H64.N13.O1.F2.P4.Cl3.		6.0	853.3341	-1.6 mmu 
C26.H68.N9.O5.F2.P4.Cl3.		1.0	853.3328	-0.3 mmu 
C32.H66.N7.F4.P4.Cl3.		6.0	853.3332	-0.7 mmu 
C31.H70.N3.O4.F4.P4.Cl3.		1.0	853.3318	+0.7 mmu 
C34.H69.N1.F7.P4.Cl3.		2.0	853.3334	-0.9 mmu 
C31.H67.N11.P5.Cl3.		10.0	853.3335	-1.0 mmu 
C30.H71.N7.O4.P5.Cl3.		5.0	853.3321	+0.4 mmu 
C27.H72.N7.O5.F1.P5.Cl3.		1.0	853.3333	-0.8 mmu 
C35.H73.N1.O3.F2.P5.Cl3.		5.0	853.3312	+1.3 mmu 
C33.H70.N5.F3.P5.Cl3.		6.0	853.3337	-1.2 mmu 
C32.H74.N1.O4.F3.P5.Cl3.		1.0	853.3324	+0.1 mmu 
C24.H72.N11.O3.P6.Cl3.		2.0	853.3311	+1.4 mmu 
C28.H76.N5.O5.P6.Cl3.		1.0	853.3338	-1.3 mmu 
C31.H82.N1.O2.P8.Cl3.		2.0	853.3312	+1.3 mmu 
C45.H58.N5.O3.S1.Cl3.		20.0	853.3326	-0.1 mmu 
C30.H54.N17.O4.S1.Cl3.		13.0	853.3331	-0.6 mmu 
C44.H62.N1.O7.S1.Cl3.		15.0	853.3313	+1.2 mmu 
C29.H58.N13.O8.S1.Cl3.		8.0	853.3318	+0.7 mmu 
C32.H66.N3.O14.S1.Cl3.		2.0	853.3331	-0.6 mmu 
C38.H55.N11.O2.F1.S1.Cl3.		17.0	853.3311	+1.4 mmu 
C23.H51.N23.O3.F1.S1.Cl3.		10.0	853.3316	+0.9 mmu 
C42.H59.N5.O4.F1.S1.Cl3.		16.0	853.3337	-1.2 mmu 
C41.H63.N1.O8.F1.S1.Cl3.		11.0	853.3324	+0.1 mmu 
C26.H59.N13.O9.F1.S1.Cl3.		4.0	853.3329	-0.4 mmu 
C35.H56.N11.O3.F2.S1.Cl3.		13.0	853.3322	+0.3 mmu 
C20.H52.N23.O4.F2.S1.Cl3.		6.0	853.3327	-0.2 mmu 
C34.H60.N7.O7.F2.S1.Cl3.		8.0	853.3309	+1.6 mmu 
C19.H56.N19.O8.F2.S1.Cl3.		1.0	853.3314	+1.1 mmu 
C38.H64.N1.O9.F2.S1.Cl3.		7.0	853.3335	-1.0 mmu 
C23.H60.N13.O10.F2.S1.Cl3.		0.0	853.3340	-1.5 mmu 
C32.H57.N11.O4.F3.S1.Cl3.		9.0	853.3333	-0.8 mmu 
C31.H61.N7.O8.F3.S1.Cl3.		4.0	853.3320	+0.5 mmu 
C40.H58.N5.O2.F4.S1.Cl3.		13.0	853.3313	+1.2 mmu 
C25.H54.N17.O3.F4.S1.Cl3.		6.0	853.3318	+0.7 mmu 
C28.H62.N7.O9.F4.S1.Cl3.		0.0	853.3331	-0.6 mmu 
C37.H59.N5.O3.F5.S1.Cl3.		9.0	853.3324	+0.1 mmu 
C22.H55.N17.O4.F5.S1.Cl3.		2.0	853.3329	-0.4 mmu 
C36.H63.N1.O7.F5.S1.Cl3.		4.0	853.3311	+1.4 mmu 
C30.H56.N11.O2.F6.S1.Cl3.		6.0	853.3309	+1.6 mmu 
C34.H60.N5.O4.F6.S1.Cl3.		5.0	853.3336	-1.1 mmu 
C33.H64.N1.O8.F6.S1.Cl3.		0.0	853.3322	+0.3 mmu 
C27.H57.N11.O3.F7.S1.Cl3.		2.0	853.3320	+0.5 mmu 
C32.H59.N5.O2.F9.S1.Cl3.		2.0	853.3311	+1.4 mmu 
C39.H59.N9.O2.P1.S1.Cl3.		17.0	853.3316	+0.9 mmu 
C24.H55.N21.O3.P1.S1.Cl3.		10.0	853.3321	+0.4 mmu 
C27.H63.N11.O9.P1.S1.Cl3.		4.0	853.3334	-0.9 mmu 
C36.H60.N9.O3.F1.P1.S1.Cl3.		13.0	853.3327	-0.2 mmu 
C21.H56.N21.O4.F1.P1.S1.Cl3.		6.0	853.3332	-0.7 mmu 
C35.H64.N5.O7.F1.P1.S1.Cl3.		8.0	853.3314	+1.1 mmu 
C20.H60.N17.O8.F1.P1.S1.Cl3.		1.0	853.3319	+0.6 mmu 
C29.H57.N15.O2.F2.P1.S1.Cl3.		10.0	853.3312	+1.3 mmu 
C33.H61.N9.O4.F2.P1.S1.Cl3.		9.0	853.3338	-1.3 mmu 
C32.H65.N5.O8.F2.P1.S1.Cl3.		4.0	853.3325	-0.0 mmu 
C41.H62.N3.O2.F3.P1.S1.Cl3.		13.0	853.3318	+0.7 mmu 
C26.H58.N15.O3.F3.P1.S1.Cl3.		6.0	853.3323	+0.2 mmu 
C25.H62.N11.O7.F3.P1.S1.Cl3.		1.0	853.3310	+1.5 mmu 
C29.H66.N5.O9.F3.P1.S1.Cl3.		0.0	853.3337	-1.2 mmu 
C38.H63.N3.O3.F4.P1.S1.Cl3.		9.0	853.3329	-0.4 mmu 
C23.H59.N15.O4.F4.P1.S1.Cl3.		2.0	853.3334	-0.9 mmu 
C31.H60.N9.O2.F5.P1.S1.Cl3.		6.0	853.3314	+1.1 mmu 
C35.H64.N3.O4.F5.P1.S1.Cl3.		5.0	853.3341	-1.6 mmu 
C28.H61.N9.O3.F6.P1.S1.Cl3.		2.0	853.3325	-0.0 mmu 
C33.H63.N3.O2.F8.P1.S1.Cl3.		2.0	853.3316	+0.9 mmu 
C37.H64.N7.O3.P2.S1.Cl3.		13.0	853.3332	-0.7 mmu 
C22.H60.N19.O4.P2.S1.Cl3.		6.0	853.3337	-1.2 mmu 
C36.H68.N3.O7.P2.S1.Cl3.		8.0	853.3319	+0.6 mmu 
C45.H65.N1.O1.F1.P2.S1.Cl3.		17.0	853.3312	+1.3 mmu 
C30.H61.N13.O2.F1.P2.S1.Cl3.		10.0	853.3317	+0.8 mmu 
C33.H69.N3.O8.F1.P2.S1.Cl3.		4.0	853.3330	-0.5 mmu 
C42.H66.N1.O2.F2.P2.S1.Cl3.		13.0	853.3323	+0.2 mmu 
C27.H62.N13.O3.F2.P2.S1.Cl3.		6.0	853.3328	-0.3 mmu 
C26.H66.N9.O7.F2.P2.S1.Cl3.		1.0	853.3315	+1.0 mmu 
C30.H70.N3.O9.F2.P2.S1.Cl3.		0.0	853.3342	-1.7 mmu 
C20.H59.N19.O2.F3.P2.S1.Cl3.		3.0	853.3313	+1.2 mmu 
C39.H67.N1.O3.F3.P2.S1.Cl3.		9.0	853.3335	-1.0 mmu 
C24.H63.N13.O4.F3.P2.S1.Cl3.		2.0	853.3340	-1.5 mmu 
C32.H64.N7.O2.F4.P2.S1.Cl3.		6.0	853.3319	+0.6 mmu 
C29.H65.N7.O3.F5.P2.S1.Cl3.		2.0	853.3331	-0.6 mmu 
C37.H66.N1.O1.F6.P2.S1.Cl3.		6.0	853.3310	+1.5 mmu 
C34.H67.N1.O2.F7.P2.S1.Cl3.		2.0	853.3322	+0.3 mmu 
C31.H65.N11.O2.P3.S1.Cl3.		10.0	853.3322	+0.3 mmu 
C30.H69.N7.O6.P3.S1.Cl3.		5.0	853.3308	+1.7 mmu 
C34.H73.N1.O8.P3.S1.Cl3.		4.0	853.3335	-1.0 mmu 
C28.H66.N11.O3.F1.P3.S1.Cl3.		6.0	853.3333	-0.8 mmu 
C27.H70.N7.O7.F1.P3.S1.Cl3.		1.0	853.3320	+0.5 mmu 
C36.H67.N5.O1.F2.P3.S1.Cl3.		10.0	853.3313	+1.2 mmu 
C21.H63.N17.O2.F2.P3.S1.Cl3.		3.0	853.3318	+0.7 mmu 
C33.H68.N5.O2.F3.P3.S1.Cl3.		6.0	853.3324	+0.1 mmu 
C32.H72.N1.O6.F3.P3.S1.Cl3.		1.0	853.3311	+1.4 mmu 
C26.H65.N11.O1.F4.P3.S1.Cl3.		3.0	853.3309	+1.6 mmu 
C30.H69.N5.O3.F4.P3.S1.Cl3.		2.0	853.3336	-1.1 mmu 
C25.H66.N15.O1.P4.S1.Cl3.		7.0	853.3312	+1.3 mmu 
C29.H70.N9.O3.P4.S1.Cl3.		6.0	853.3338	-1.3 mmu 
C28.H74.N5.O7.P4.S1.Cl3.		1.0	853.3325	+0.0 mmu 
C37.H71.N3.O1.F1.P4.S1.Cl3.		10.0	853.3318	+0.7 mmu 
C34.H72.N3.O2.F2.P4.S1.Cl3.		6.0	853.3329	-0.4 mmu 
C27.H69.N9.O1.F3.P4.S1.Cl3.		3.0	853.3314	+1.1 mmu 
C31.H73.N3.O3.F3.P4.S1.Cl3.		2.0	853.3341	-1.6 mmu 
C38.H75.N1.O1.P5.S1.Cl3.		10.0	853.3323	+0.2 mmu 
C35.H76.N1.O2.F1.P5.S1.Cl3.		6.0	853.3334	-0.9 mmu 
C28.H73.N7.O1.F2.P5.S1.Cl3.		3.0	853.3319	+0.6 mmu 
C33.H75.N1.F4.P5.S1.Cl3.		3.0	853.3310	+1.5 mmu 
C32.H76.N5.P6.S1.Cl3.		7.0	853.3313	+1.2 mmu 
C29.H77.N5.O1.F1.P6.S1.Cl3.		3.0	853.3324	+0.1 mmu 
C30.H81.N3.O1.P7.S1.Cl3.		3.0	853.3329	-0.4 mmu 
C38.H58.N11.O1.S2.Cl3.		18.0	853.3333	-0.8 mmu 
C23.H54.N23.O2.S2.Cl3.		11.0	853.3338	-1.3 mmu 
C37.H62.N7.O5.S2.Cl3.		13.0	853.3319	+0.6 mmu 
C22.H58.N19.O6.S2.Cl3.		6.0	853.3324	+0.1 mmu 
C21.H62.N15.O10.S2.Cl3.		1.0	853.3311	+1.4 mmu 
C25.H66.N9.O12.S2.Cl3.		0.0	853.3338	-1.3 mmu 
C31.H55.N17.F1.S2.Cl3.		15.0	853.3317	+0.8 mmu 
C34.H63.N7.O6.F1.S2.Cl3.		9.0	853.3331	-0.6 mmu 
C33.H67.N3.O10.F1.S2.Cl3.		4.0	853.3317	+0.8 mmu 
C43.H60.N5.F2.S2.Cl3.		18.0	853.3324	+0.1 mmu 
C28.H56.N17.O1.F2.S2.Cl3.		11.0	853.3329	-0.4 mmu 
C42.H64.N1.O4.F2.S2.Cl3.		13.0	853.3310	+1.5 mmu 
C27.H60.N13.O5.F2.S2.Cl3.		6.0	853.3315	+1.0 mmu 
C30.H68.N3.O11.F2.S2.Cl3.		0.0	853.3329	-0.4 mmu 
C21.H53.N23.F3.S2.Cl3.		8.0	853.3313	+1.2 mmu 
C40.H61.N5.O1.F3.S2.Cl3.		14.0	853.3335	-1.0 mmu 
C25.H57.N17.O2.F3.S2.Cl3.		7.0	853.3340	-1.5 mmu 
C39.H65.N1.O5.F3.S2.Cl3.		9.0	853.3322	+0.3 mmu 
C24.H61.N13.O6.F3.S2.Cl3.		2.0	853.3327	-0.2 mmu 
C33.H58.N11.F4.S2.Cl3.		11.0	853.3320	+0.5 mmu 
C18.H54.N23.O1.F4.S2.Cl3.		4.0	853.3325	+0.0 mmu 
C36.H66.N1.O6.F4.S2.Cl3.		5.0	853.3333	-0.8 mmu 
C30.H59.N11.O1.F5.S2.Cl3.		7.0	853.3331	-0.6 mmu 
C29.H63.N7.O5.F5.S2.Cl3.		2.0	853.3318	+0.7 mmu 
C23.H56.N17.F6.S2.Cl3.		4.0	853.3316	+0.9 mmu 
C35.H61.N5.F7.S2.Cl3.		7.0	853.3322	+0.3 mmu 
C20.H57.N17.O1.F7.S2.Cl3.		0.0	853.3327	-0.2 mmu 
C34.H65.N1.O4.F7.S2.Cl3.		2.0	853.3309	+1.6 mmu 
C32.H62.N5.O1.F8.S2.Cl3.		3.0	853.3334	-0.9 mmu 
C25.H59.N11.F9.S2.Cl3.		0.0	853.3318	+0.7 mmu 
C32.H59.N15.P1.S2.Cl3.		15.0	853.3322	+0.3 mmu 
C31.H63.N11.O4.P1.S2.Cl3.		10.0	853.3309	+1.6 mmu 
C35.H67.N5.O6.P1.S2.Cl3.		9.0	853.3336	-1.1 mmu 
C34.H71.N1.O10.P1.S2.Cl3.		4.0	853.3323	+0.2 mmu 
C44.H64.N3.F1.P1.S2.Cl3.		18.0	853.3329	-0.4 mmu 
C29.H60.N15.O1.F1.P1.S2.Cl3.		11.0	853.3334	-0.9 mmu 
C28.H64.N11.O5.F1.P1.S2.Cl3.		6.0	853.3321	+0.4 mmu 
C31.H72.N1.O11.F1.P1.S2.Cl3.		0.0	853.3334	-0.9 mmu 
C22.H57.N21.F2.P1.S2.Cl3.		8.0	853.3318	+0.7 mmu 
C41.H65.N3.O1.F2.P1.S2.Cl3.		14.0	853.3340	-1.5 mmu 
C25.H65.N11.O6.F2.P1.S2.Cl3.		2.0	853.3332	-0.7 mmu 
C34.H62.N9.F3.P1.S2.Cl3.		11.0	853.3325	+0.0 mmu 
C33.H66.N5.O4.F3.P1.S2.Cl3.		6.0	853.3312	+1.3 mmu 
C31.H63.N9.O1.F4.P1.S2.Cl3.		7.0	853.3336	-1.1 mmu 
C30.H67.N5.O5.F4.P1.S2.Cl3.		2.0	853.3323	+0.2 mmu 
C24.H60.N15.F5.P1.S2.Cl3.		4.0	853.3321	+0.4 mmu 
C36.H65.N3.F6.P1.S2.Cl3.		7.0	853.3327	-0.2 mmu 
C21.H61.N15.O1.F6.P1.S2.Cl3.		0.0	853.3332	-0.7 mmu 
C33.H66.N3.O1.F7.P1.S2.Cl3.		3.0	853.3339	-1.4 mmu 
C26.H63.N9.F8.P1.S2.Cl3.		0.0	853.3323	+0.2 mmu 
C45.H68.N1.P2.S2.Cl3.		18.0	853.3334	-0.9 mmu 
C30.H64.N13.O1.P2.S2.Cl3.		11.0	853.3339	-1.4 mmu 
C29.H68.N9.O5.P2.S2.Cl3.		6.0	853.3326	-0.1 mmu 
C28.H72.N5.O9.P2.S2.Cl3.		1.0	853.3312	+1.3 mmu 
C23.H61.N19.F1.P2.S2.Cl3.		8.0	853.3324	+0.1 mmu 
C22.H65.N15.O4.F1.P2.S2.Cl3.		3.0	853.3310	+1.5 mmu 
C26.H69.N9.O6.F1.P2.S2.Cl3.		2.0	853.3337	-1.2 mmu 
C35.H66.N7.F2.P2.S2.Cl3.		11.0	853.3330	-0.5 mmu 
C34.H70.N3.O4.F2.P2.S2.Cl3.		6.0	853.3317	+0.8 mmu 
C32.H67.N7.O1.F3.P2.S2.Cl3.		7.0	853.3341	-1.6 mmu 
C31.H71.N3.O5.F3.P2.S2.Cl3.		2.0	853.3328	-0.3 mmu 
C25.H64.N13.F4.P2.S2.Cl3.		4.0	853.3326	-0.1 mmu 
C37.H69.N1.F5.P2.S2.Cl3.		7.0	853.3332	-0.7 mmu 
C22.H65.N13.O1.F5.P2.S2.Cl3.		0.0	853.3337	-1.2 mmu 
C27.H67.N7.F7.P2.S2.Cl3.		0.0	853.3328	-0.3 mmu 
C24.H65.N17.P3.S2.Cl3.		8.0	853.3329	-0.4 mmu 
C38.H73.N1.O3.P3.S2.Cl3.		10.0	853.3310	+1.5 mmu 
C23.H69.N13.O4.P3.S2.Cl3.		3.0	853.3315	+1.0 mmu 
C36.H70.N5.F1.P3.S2.Cl3.		11.0	853.3335	-1.0 mmu 
C35.H74.N1.O4.F1.P3.S2.Cl3.		6.0	853.3322	+0.3 mmu 
C32.H75.N1.O5.F2.P3.S2.Cl3.		2.0	853.3333	-0.8 mmu 
C26.H68.N11.F3.P3.S2.Cl3.		4.0	853.3331	-0.6 mmu 
C28.H71.N5.F6.P3.S2.Cl3.		0.0	853.3334	-0.9 mmu 
C37.H74.N3.P4.S2.Cl3.		11.0	853.3340	-1.5 mmu 
C29.H75.N5.O3.F1.P4.S2.Cl3.		3.0	853.3311	+1.4 mmu 
C27.H72.N9.F2.P4.S2.Cl3.		4.0	853.3336	-1.1 mmu 
C29.H75.N3.F5.P4.S2.Cl3.		0.0	853.3339	-1.4 mmu 
C30.H79.N3.O3.P5.S2.Cl3.		3.0	853.3317	+0.8 mmu 
C28.H76.N7.F1.P5.S2.Cl3.		4.0	853.3341	-1.6 mmu 
C45.H66.N1.O2.S3.Cl3.		18.0	853.3321	+0.4 mmu 
C30.H62.N13.O3.S3.Cl3.		11.0	853.3326	-0.1 mmu 
C29.H66.N9.O7.S3.Cl3.		6.0	853.3313	+1.2 mmu 
C33.H70.N3.O9.S3.Cl3.		5.0	853.3340	-1.5 mmu 
C23.H59.N19.O2.F1.S3.Cl3.		8.0	853.3311	+1.4 mmu 
C42.H67.N1.O3.F1.S3.Cl3.		14.0	853.3333	-0.8 mmu 
C27.H63.N13.O4.F1.S3.Cl3.		7.0	853.3338	-1.3 mmu 
C26.H67.N9.O8.F1.S3.Cl3.		2.0	853.3324	+0.1 mmu 
C35.H64.N7.O2.F2.S3.Cl3.		11.0	853.3317	+0.8 mmu 
C20.H60.N19.O3.F2.S3.Cl3.		4.0	853.3322	+0.3 mmu 
C32.H65.N7.O3.F3.S3.Cl3.		7.0	853.3329	-0.4 mmu 
C31.H69.N3.O7.F3.S3.Cl3.		2.0	853.3315	+1.0 mmu 
C40.H66.N1.O1.F4.S3.Cl3.		11.0	853.3308	+1.7 mmu 
C25.H62.N13.O2.F4.S3.Cl3.		4.0	853.3313	+1.2 mmu 
C29.H66.N7.O4.F4.S3.Cl3.		3.0	853.3340	-1.5 mmu 
C37.H67.N1.O2.F5.S3.Cl3.		7.0	853.3320	+0.5 mmu 
C22.H63.N13.O3.F5.S3.Cl3.		0.0	853.3325	+0.0 mmu 
C34.H68.N1.O3.F6.S3.Cl3.		3.0	853.3331	-0.6 mmu 
C27.H65.N7.O2.F7.S3.Cl3.		0.0	853.3316	+0.9 mmu 
C39.H67.N5.O1.P1.S3.Cl3.		15.0	853.3311	+1.4 mmu 
C24.H63.N17.O2.P1.S3.Cl3.		8.0	853.3316	+0.9 mmu 
C27.H71.N7.O8.P1.S3.Cl3.		2.0	853.3329	-0.4 mmu 
C36.H68.N5.O2.F1.P1.S3.Cl3.		11.0	853.3322	+0.3 mmu 
C35.H72.N1.O6.F1.P1.S3.Cl3.		6.0	853.3309	+1.6 mmu 
C33.H69.N5.O3.F2.P1.S3.Cl3.		7.0	853.3334	-0.9 mmu 
C32.H73.N1.O7.F2.P1.S3.Cl3.		2.0	853.3320	+0.5 mmu 
C26.H66.N11.O2.F3.P1.S3.Cl3.		4.0	853.3318	+0.7 mmu 
C23.H67.N11.O3.F4.P1.S3.Cl3.		0.0	853.3330	-0.5 mmu 
C31.H68.N5.O1.F5.P1.S3.Cl3.		4.0	853.3309	+1.6 mmu 
C28.H69.N5.O2.F6.P1.S3.Cl3.		0.0	853.3321	+0.4 mmu 
C37.H72.N3.O2.P2.S3.Cl3.		11.0	853.3327	-0.2 mmu 
C30.H69.N9.O1.F1.P2.S3.Cl3.		8.0	853.3312	+1.3 mmu 
C34.H73.N3.O3.F1.P2.S3.Cl3.		7.0	853.3339	-1.4 mmu 
C27.H70.N9.O2.F2.P2.S3.Cl3.		4.0	853.3323	+0.2 mmu 
C24.H71.N9.O3.F3.P2.S3.Cl3.		0.0	853.3335	-1.0 mmu 
C32.H72.N3.O1.F4.P2.S3.Cl3.		4.0	853.3314	+1.1 mmu 
C29.H73.N3.O2.F5.P2.S3.Cl3.		0.0	853.3326	-0.1 mmu 
C31.H73.N7.O1.P3.S3.Cl3.		8.0	853.3317	+0.8 mmu 
C28.H74.N7.O2.F1.P3.S3.Cl3.		4.0	853.3329	-0.4 mmu 
C36.H75.N1.F2.P3.S3.Cl3.		8.0	853.3308	+1.7 mmu 
C25.H75.N7.O3.F2.P3.S3.Cl3.		0.0	853.3340	-1.5 mmu 
C33.H76.N1.O1.F3.P3.S3.Cl3.		4.0	853.3320	+0.5 mmu 
C30.H77.N1.O2.F4.P3.S3.Cl3.		0.0	853.3331	-0.6 mmu 
C29.H78.N5.O2.P4.S3.Cl3.		4.0	853.3334	-0.9 mmu 
C27.H77.N5.F3.P4.S3.Cl3.		1.0	853.3309	+1.6 mmu 
C28.H81.N3.F2.P5.S3.Cl3.		1.0	853.3314	+1.1 mmu 
C29.H85.N1.F1.P6.S3.Cl3.		1.0	853.3319	+0.6 mmu 
C38.H66.N7.S4.Cl3.		16.0	853.3328	-0.3 mmu 
C23.H62.N19.O1.S4.Cl3.		9.0	853.3333	-0.8 mmu 
C37.H70.N3.O4.S4.Cl3.		11.0	853.3315	+1.0 mmu 
C22.H66.N15.O5.S4.Cl3.		4.0	853.3320	+0.5 mmu 
C35.H67.N7.O1.F1.S4.Cl3.		12.0	853.3340	-1.5 mmu 
C34.H71.N3.O5.F1.S4.Cl3.		7.0	853.3326	-0.1 mmu 
C28.H64.N13.F2.S4.Cl3.		9.0	853.3324	+0.1 mmu 
C27.H68.N9.O4.F2.S4.Cl3.		4.0	853.3311	+1.4 mmu 
C31.H72.N3.O6.F2.S4.Cl3.		3.0	853.3338	-1.3 mmu 
C40.H69.N1.F3.S4.Cl3.		12.0	853.3331	-0.6 mmu 
C25.H65.N13.O1.F3.S4.Cl3.		5.0	853.3336	-1.1 mmu 
C24.H69.N9.O5.F3.S4.Cl3.		0.0	853.3322	+0.3 mmu 
C37.H70.N1.O1.F4.S4.Cl3.		8.0	853.3342	-1.7 mmu 
C30.H67.N7.F5.S4.Cl3.		5.0	853.3327	-0.2 mmu 
C29.H71.N3.O4.F5.S4.Cl3.		0.0	853.3313	+1.2 mmu 
C27.H68.N7.O1.F6.S4.Cl3.		1.0	853.3338	-1.3 mmu 
C32.H70.N1.F8.S4.Cl3.		1.0	853.3329	-0.4 mmu 
C35.H75.N1.O5.P1.S4.Cl3.		7.0	853.3331	-0.6 mmu 
C29.H68.N11.F1.P1.S4.Cl3.		9.0	853.3329	-0.4 mmu 
C28.H72.N7.O4.F1.P1.S4.Cl3.		4.0	853.3316	+0.9 mmu 
C26.H69.N11.O1.F2.P1.S4.Cl3.		5.0	853.3341	-1.6 mmu 
C25.H73.N7.O5.F2.P1.S4.Cl3.		0.0	853.3327	-0.2 mmu 
C31.H71.N5.F4.P1.S4.Cl3.		5.0	853.3332	-0.7 mmu 
C30.H75.N1.O4.F4.P1.S4.Cl3.		0.0	853.3318	+0.7 mmu 
C30.H72.N9.P2.S4.Cl3.		9.0	853.3334	-0.9 mmu 
C29.H76.N5.O4.P2.S4.Cl3.		4.0	853.3321	+0.4 mmu 
C26.H77.N5.O5.F1.P2.S4.Cl3.		0.0	853.3332	-0.7 mmu 
C32.H75.N3.F3.P2.S4.Cl3.		5.0	853.3337	-1.2 mmu 
C27.H81.N3.O5.P3.S4.Cl3.		0.0	853.3337	-1.2 mmu 
C33.H79.N1.F2.P3.S4.Cl3.		5.0	853.3342	-1.7 mmu 
C30.H70.N9.O2.S5.Cl3.		9.0	853.3322	+0.3 mmu 
C29.H74.N5.O6.S5.Cl3.		4.0	853.3308	+1.7 mmu 
C27.H71.N9.O3.F1.S5.Cl3.		5.0	853.3333	-0.8 mmu 
C26.H75.N5.O7.F1.S5.Cl3.		0.0	853.3320	+0.5 mmu 
C35.H72.N3.O1.F2.S5.Cl3.		9.0	853.3313	+1.2 mmu 
C32.H73.N3.O2.F3.S5.Cl3.		5.0	853.3324	+0.1 mmu 
C25.H70.N9.O1.F4.S5.Cl3.		2.0	853.3309	+1.6 mmu 
C29.H74.N3.O3.F4.S5.Cl3.		1.0	853.3335	-1.0 mmu 
C24.H71.N13.O1.P1.S5.Cl3.		6.0	853.3311	+1.4 mmu 
C28.H75.N7.O3.P1.S5.Cl3.		5.0	853.3338	-1.3 mmu 
C27.H79.N3.O7.P1.S5.Cl3.		0.0	853.3325	+0.0 mmu 
C36.H76.N1.O1.F1.P1.S5.Cl3.		9.0	853.3318	+0.7 mmu 
C33.H77.N1.O2.F2.P1.S5.Cl3.		5.0	853.3329	-0.4 mmu 
C26.H74.N7.O1.F3.P1.S5.Cl3.		2.0	853.3314	+1.1 mmu 
C30.H78.N1.O3.F3.P1.S5.Cl3.		1.0	853.3341	-1.6 mmu 
C27.H78.N5.O1.F2.P2.S5.Cl3.		2.0	853.3319	+0.6 mmu 
C31.H81.N3.P3.S5.Cl3.		6.0	853.3312	+1.3 mmu 
C28.H82.N3.O1.F1.P3.S5.Cl3.		2.0	853.3324	+0.1 mmu 
C29.H86.N1.O1.P4.S5.Cl3.		2.0	853.3329	-0.4 mmu 
C26.H78.N5.O6.S6.Cl3.		1.0	853.3342	-1.7 mmu 
C35.H75.N3.F1.S6.Cl3.		10.0	853.3335	-1.0 mmu 
C25.H73.N9.F3.S6.Cl3.		3.0	853.3331	-0.6 mmu 
C36.H79.N1.P1.S6.Cl3.		10.0	853.3340	-1.5 mmu 
C28.H80.N3.O3.F1.P1.S6.Cl3.		2.0	853.3311	+1.4 mmu 
C26.H77.N7.F2.P1.S6.Cl3.		3.0	853.3336	-1.1 mmu 
C29.H84.N1.O3.P2.S6.Cl3.		2.0	853.3316	+0.9 mmu 
C27.H81.N5.F1.P2.S6.Cl3.		3.0	853.3341	-1.6 mmu 
C30.H78.N5.O1.S7.Cl3.		7.0	853.3317	+0.8 mmu 
C27.H79.N5.O2.F1.S7.Cl3.		3.0	853.3328	-0.3 mmu 
C28.H83.N3.O2.P1.S7.Cl3.		3.0	853.3333	-0.8 mmu 
C30.H86.N1.S9.Cl3.		5.0	853.3312	+1.3 mmu 
C33.H51.N19.Cl4.		16.0	853.3329	-0.4 mmu 
C47.H59.N3.O3.Cl4.		18.0	853.3311	+1.4 mmu 
C32.H55.N15.O4.Cl4.		11.0	853.3316	+0.9 mmu 
C35.H63.N5.O10.Cl4.		5.0	853.3329	-0.4 mmu 
C34.H67.N1.O14.Cl4.		0.0	853.3316	+0.9 mmu 
C45.H56.N7.F1.Cl4.		19.0	853.3335	-1.0 mmu 
C30.H52.N19.O1.F1.Cl4.		12.0	853.3340	-1.5 mmu 
C44.H60.N3.O4.F1.Cl4.		14.0	853.3322	+0.3 mmu 
C29.H56.N15.O5.F1.Cl4.		7.0	853.3327	-0.2 mmu 
C28.H60.N11.O9.F1.Cl4.		2.0	853.3314	+1.1 mmu 
C32.H64.N5.O11.F1.Cl4.		1.0	853.3340	-1.5 mmu 
C23.H49.N25.F2.Cl4.		9.0	853.3325	+0.0 mmu 
C22.H53.N21.O4.F2.Cl4.		4.0	853.3312	+1.3 mmu 
C41.H61.N3.O5.F2.Cl4.		10.0	853.3333	-0.8 mmu 
C26.H57.N15.O6.F2.Cl4.		3.0	853.3338	-1.3 mmu 
C35.H54.N13.F3.Cl4.		12.0	853.3331	-0.6 mmu 
C20.H50.N25.O1.F3.Cl4.		5.0	853.3336	-1.1 mmu 
C34.H58.N9.O4.F3.Cl4.		7.0	853.3318	+0.7 mmu 
C19.H54.N21.O5.F3.Cl4.		0.0	853.3323	+0.2 mmu 
C47.H59.N1.F4.Cl4.		15.0	853.3338	-1.3 mmu 
C31.H59.N9.O5.F4.Cl4.		3.0	853.3329	-0.4 mmu 
C25.H52.N19.F5.Cl4.		5.0	853.3327	-0.2 mmu 
C39.H60.N3.O3.F5.Cl4.		7.0	853.3309	+1.6 mmu 
C24.H56.N15.O4.F5.Cl4.		0.0	853.3314	+1.1 mmu 
C37.H57.N7.F6.Cl4.		8.0	853.3334	-0.9 mmu 
C22.H53.N19.O1.F6.Cl4.		1.0	853.3339	-1.4 mmu 
C36.H61.N3.O4.F6.Cl4.		3.0	853.3320	+0.5 mmu 
C27.H55.N13.F8.Cl4.		1.0	853.3330	-0.5 mmu 
C39.H60.N1.F9.Cl4.		4.0	853.3336	-1.1 mmu 
C46.H60.N5.P1.Cl4.		19.0	853.3340	-1.5 mmu 
C45.H64.N1.O4.P1.Cl4.		14.0	853.3327	-0.2 mmu 
C30.H60.N13.O5.P1.Cl4.		7.0	853.3332	-0.7 mmu 
C29.H64.N9.O9.P1.Cl4.		2.0	853.3319	+0.6 mmu 
C24.H53.N23.F1.P1.Cl4.		9.0	853.3330	-0.5 mmu 
C38.H61.N7.O3.F1.P1.Cl4.		11.0	853.3312	+1.3 mmu 
C23.H57.N19.O4.F1.P1.Cl4.		4.0	853.3317	+0.8 mmu 
C42.H65.N1.O5.F1.P1.Cl4.		10.0	853.3338	-1.3 mmu 
C36.H58.N11.F2.P1.Cl4.		12.0	853.3336	-1.1 mmu 
C21.H54.N23.O1.F2.P1.Cl4.		5.0	853.3341	-1.6 mmu 
C35.H62.N7.O4.F2.P1.Cl4.		7.0	853.3323	+0.2 mmu 
C20.H58.N19.O5.F2.P1.Cl4.		0.0	853.3328	-0.3 mmu 
C34.H66.N3.O8.F2.P1.Cl4.		2.0	853.3310	+1.5 mmu 
C32.H63.N7.O5.F3.P1.Cl4.		3.0	853.3335	-1.0 mmu 
C26.H56.N17.F4.P1.Cl4.		5.0	853.3332	-0.7 mmu 
C40.H64.N1.O3.F4.P1.Cl4.		7.0	853.3314	+1.1 mmu 
C25.H60.N13.O4.F4.P1.Cl4.		0.0	853.3319	+0.6 mmu 
C38.H61.N5.F5.P1.Cl4.		8.0	853.3339	-1.4 mmu 
C37.H65.N1.O4.F5.P1.Cl4.		3.0	853.3325	-0.0 mmu 
C30.H62.N7.O3.F6.P1.Cl4.		0.0	853.3310	+1.5 mmu 
C28.H59.N11.F7.P1.Cl4.		1.0	853.3335	-1.0 mmu 
C25.H57.N21.P2.Cl4.		9.0	853.3335	-1.0 mmu 
C39.H65.N5.O3.P2.Cl4.		11.0	853.3317	+0.8 mmu 
C24.H61.N17.O4.P2.Cl4.		4.0	853.3322	+0.3 mmu 
C37.H62.N9.F1.P2.Cl4.		12.0	853.3342	-1.7 mmu 
C36.H66.N5.O4.F1.P2.Cl4.		7.0	853.3328	-0.3 mmu 
C21.H62.N17.O5.F1.P2.Cl4.		0.0	853.3333	-0.8 mmu 
C35.H70.N1.O8.F1.P2.Cl4.		2.0	853.3315	+1.0 mmu 
C29.H63.N11.O3.F2.P2.Cl4.		4.0	853.3313	+1.2 mmu 
C33.H67.N5.O5.F2.P2.Cl4.		3.0	853.3340	-1.5 mmu 
C27.H60.N15.F3.P2.Cl4.		5.0	853.3338	-1.3 mmu 
C26.H64.N11.O4.F3.P2.Cl4.		0.0	853.3324	+0.1 mmu 
C31.H66.N5.O3.F5.P2.Cl4.		0.0	853.3315	+1.0 mmu 
C29.H63.N9.F6.P2.Cl4.		1.0	853.3340	-1.5 mmu 
C37.H70.N3.O4.P3.Cl4.		7.0	853.3333	-0.8 mmu 
C22.H66.N15.O5.P3.Cl4.		0.0	853.3338	-1.3 mmu 
C30.H67.N9.O3.F1.P3.Cl4.		4.0	853.3318	+0.7 mmu 
C27.H68.N9.O4.F2.P3.Cl4.		0.0	853.3329	-0.4 mmu 
C35.H69.N3.O2.F3.P3.Cl4.		4.0	853.3309	+1.6 mmu 
C32.H70.N3.O3.F4.P3.Cl4.		0.0	853.3320	+0.5 mmu 
C31.H71.N7.O3.P4.Cl4.		4.0	853.3323	+0.2 mmu 
C28.H72.N7.O4.F1.P4.Cl4.		0.0	853.3334	-0.9 mmu 
C36.H73.N1.O2.F2.P4.Cl4.		4.0	853.3314	+1.1 mmu 
C33.H74.N1.O3.F3.P4.Cl4.		0.0	853.3325	-0.0 mmu 
C25.H72.N11.O2.P5.Cl4.		1.0	853.3313	+1.2 mmu 
C29.H76.N5.O4.P5.Cl4.		0.0	853.3339	-1.4 mmu 
C31.H78.N3.O1.F1.P6.Cl4.		1.0	853.3309	+1.6 mmu 
C32.H82.N1.O1.P7.Cl4.		1.0	853.3314	+1.1 mmu 
C40.H59.N9.O1.S1.Cl4.		16.0	853.3317	+0.8 mmu 
C25.H55.N21.O2.S1.Cl4.		9.0	853.3322	+0.3 mmu 
C24.H59.N17.O6.S1.Cl4.		4.0	853.3309	+1.6 mmu 
C28.H63.N11.O8.S1.Cl4.		3.0	853.3336	-1.1 mmu 
C37.H60.N9.O2.F1.S1.Cl4.		12.0	853.3329	-0.4 mmu 
C22.H56.N21.O3.F1.S1.Cl4.		5.0	853.3334	-0.9 mmu 
C36.H64.N5.O6.F1.S1.Cl4.		7.0	853.3315	+1.0 mmu 
C21.H60.N17.O7.F1.S1.Cl4.		0.0	853.3320	+0.5 mmu 
C45.H61.N3.F2.S1.Cl4.		16.0	853.3308	+1.7 mmu 
C30.H57.N15.O1.F2.S1.Cl4.		9.0	853.3313	+1.2 mmu 
C34.H61.N9.O3.F2.S1.Cl4.		8.0	853.3340	-1.5 mmu 
C33.H65.N5.O7.F2.S1.Cl4.		3.0	853.3327	-0.2 mmu 
C42.H62.N3.O1.F3.S1.Cl4.		12.0	853.3320	+0.5 mmu 
C27.H58.N15.O2.F3.S1.Cl4.		5.0	853.3325	+0.0 mmu 
C26.H62.N11.O6.F3.S1.Cl4.		0.0	853.3311	+1.4 mmu 
C20.H55.N21.O1.F4.S1.Cl4.		2.0	853.3309	+1.6 mmu 
C39.H63.N3.O2.F4.S1.Cl4.		8.0	853.3331	-0.6 mmu 
C24.H59.N15.O3.F4.S1.Cl4.		1.0	853.3336	-1.1 mmu 
C32.H60.N9.O1.F5.S1.Cl4.		5.0	853.3316	+0.9 mmu 
C29.H61.N9.O2.F6.S1.Cl4.		1.0	853.3327	-0.2 mmu 
C34.H63.N3.O1.F8.S1.Cl4.		1.0	853.3318	+0.7 mmu 
C19.H56.N25.O1.P1.S1.Cl4.		6.0	853.3312	+1.3 mmu 
C38.H64.N7.O2.P1.S1.Cl4.		12.0	853.3334	-0.9 mmu 
C23.H60.N19.O3.P1.S1.Cl4.		5.0	853.3339	-1.4 mmu 
C37.H68.N3.O6.P1.S1.Cl4.		7.0	853.3321	+0.4 mmu 
C22.H64.N15.O7.P1.S1.Cl4.		0.0	853.3326	-0.1 mmu 
C46.H65.N1.F1.P1.S1.Cl4.		16.0	853.3313	+1.2 mmu 
C31.H61.N13.O1.F1.P1.S1.Cl4.		9.0	853.3318	+0.7 mmu 
C34.H69.N3.O7.F1.P1.S1.Cl4.		3.0	853.3332	-0.7 mmu 
C43.H66.N1.O1.F2.P1.S1.Cl4.		12.0	853.3325	+0.0 mmu 
C28.H62.N13.O2.F2.P1.S1.Cl4.		5.0	853.3330	-0.5 mmu 
C27.H66.N9.O6.F2.P1.S1.Cl4.		0.0	853.3317	+0.8 mmu 
C36.H63.N7.F3.P1.S1.Cl4.		9.0	853.3309	+1.6 mmu 
C21.H59.N19.O1.F3.P1.S1.Cl4.		2.0	853.3315	+1.0 mmu 
C40.H67.N1.O2.F3.P1.S1.Cl4.		8.0	853.3336	-1.1 mmu 
C25.H63.N13.O3.F3.P1.S1.Cl4.		1.0	853.3341	-1.6 mmu 
C33.H64.N7.O1.F4.P1.S1.Cl4.		5.0	853.3321	+0.4 mmu 
C30.H65.N7.O2.F5.P1.S1.Cl4.		1.0	853.3332	-0.7 mmu 
C38.H66.N1.F6.P1.S1.Cl4.		5.0	853.3312	+1.3 mmu 
C35.H67.N1.O1.F7.P1.S1.Cl4.		1.0	853.3323	+0.2 mmu 
C32.H65.N11.O1.P2.S1.Cl4.		9.0	853.3324	+0.1 mmu 
C31.H69.N7.O5.P2.S1.Cl4.		4.0	853.3310	+1.5 mmu 
C35.H73.N1.O7.P2.S1.Cl4.		3.0	853.3337	-1.2 mmu 
C25.H62.N17.F1.P2.S1.Cl4.		6.0	853.3308	+1.7 mmu 
C29.H66.N11.O2.F1.P2.S1.Cl4.		5.0	853.3335	-1.0 mmu 
C28.H70.N7.O6.F1.P2.S1.Cl4.		0.0	853.3322	+0.3 mmu 
C37.H67.N5.F2.P2.S1.Cl4.		9.0	853.3315	+1.0 mmu 
C22.H63.N17.O1.F2.P2.S1.Cl4.		2.0	853.3320	+0.5 mmu 
C34.H68.N5.O1.F3.P2.S1.Cl4.		5.0	853.3326	-0.1 mmu 
C33.H72.N1.O5.F3.P2.S1.Cl4.		0.0	853.3313	+1.2 mmu 
C27.H65.N11.F4.P2.S1.Cl4.		2.0	853.3311	+1.4 mmu 
C31.H69.N5.O2.F4.P2.S1.Cl4.		1.0	853.3337	-1.2 mmu 
C26.H66.N15.P3.S1.Cl4.		6.0	853.3313	+1.2 mmu 
C30.H70.N9.O2.P3.S1.Cl4.		5.0	853.3340	-1.5 mmu 
C29.H74.N5.O6.P3.S1.Cl4.		0.0	853.3327	-0.2 mmu 
C38.H71.N3.F1.P3.S1.Cl4.		9.0	853.3320	+0.5 mmu 
C23.H67.N15.O1.F1.P3.S1.Cl4.		2.0	853.3325	+0.0 mmu 
C35.H72.N3.O1.F2.P3.S1.Cl4.		5.0	853.3331	-0.6 mmu 
C28.H69.N9.F3.P3.S1.Cl4.		2.0	853.3316	+0.9 mmu 
C39.H75.N1.P4.S1.Cl4.		9.0	853.3325	+0.0 mmu 
C24.H71.N13.O1.P4.S1.Cl4.		2.0	853.3330	-0.5 mmu 
C36.H76.N1.O1.F1.P4.S1.Cl4.		5.0	853.3336	-1.1 mmu 
C29.H73.N7.F2.P4.S1.Cl4.		2.0	853.3321	+0.4 mmu 
C30.H77.N5.F1.P5.S1.Cl4.		2.0	853.3326	-0.1 mmu 
C31.H81.N3.P6.S1.Cl4.		2.0	853.3331	-0.6 mmu 
C32.H63.N11.O3.S2.Cl4.		9.0	853.3311	+1.4 mmu 
C36.H67.N5.O5.S2.Cl4.		8.0	853.3338	-1.3 mmu 
C35.H71.N1.O9.S2.Cl4.		3.0	853.3324	+0.1 mmu 
C30.H60.N15.F1.S2.Cl4.		10.0	853.3336	-1.1 mmu 
C29.H64.N11.O4.F1.S2.Cl4.		5.0	853.3322	+0.3 mmu 
C28.H68.N7.O8.F1.S2.Cl4.		0.0	853.3309	+1.6 mmu 
C26.H65.N11.O5.F2.S2.Cl4.		1.0	853.3334	-0.9 mmu 
C20.H58.N21.F3.S2.Cl4.		3.0	853.3332	-0.7 mmu 
C34.H66.N5.O3.F3.S2.Cl4.		5.0	853.3313	+1.2 mmu 
C32.H63.N9.F4.S2.Cl4.		6.0	853.3338	-1.3 mmu 
C31.H67.N5.O4.F4.S2.Cl4.		1.0	853.3325	+0.0 mmu 
C34.H66.N3.F7.S2.Cl4.		2.0	853.3340	-1.5 mmu 
C31.H64.N13.P1.S2.Cl4.		10.0	853.3341	-1.6 mmu 
C30.H68.N9.O4.P1.S2.Cl4.		5.0	853.3327	-0.2 mmu 
C29.H72.N5.O8.P1.S2.Cl4.		0.0	853.3314	+1.1 mmu 
C23.H65.N15.O3.F1.P1.S2.Cl4.		2.0	853.3312	+1.3 mmu 
C27.H69.N9.O5.F1.P1.S2.Cl4.		1.0	853.3339	-1.4 mmu 
C21.H62.N19.F2.P1.S2.Cl4.		3.0	853.3337	-1.2 mmu 
C35.H70.N3.O3.F2.P1.S2.Cl4.		5.0	853.3318	+0.7 mmu 
C32.H71.N3.O4.F3.P1.S2.Cl4.		1.0	853.3330	-0.5 mmu 
C39.H73.N1.O2.P2.S2.Cl4.		9.0	853.3312	+1.3 mmu 
C24.H69.N13.O3.P2.S2.Cl4.		2.0	853.3317	+0.8 mmu 
C22.H66.N17.F1.P2.S2.Cl4.		3.0	853.3342	-1.7 mmu 
C36.H74.N1.O3.F1.P2.S2.Cl4.		5.0	853.3323	+0.2 mmu 
C29.H71.N7.O2.F2.P2.S2.Cl4.		2.0	853.3308	+1.7 mmu 
C33.H75.N1.O4.F2.P2.S2.Cl4.		1.0	853.3335	-1.0 mmu 
C30.H75.N5.O2.F1.P3.S2.Cl4.		2.0	853.3313	+1.2 mmu 
C31.H79.N3.O2.P4.S2.Cl4.		2.0	853.3318	+0.7 mmu 
C40.H67.N5.S3.Cl4.		14.0	853.3313	+1.2 mmu 
C25.H63.N17.O1.S3.Cl4.		7.0	853.3318	+0.7 mmu 
C28.H71.N7.O7.S3.Cl4.		1.0	853.3331	-0.6 mmu 
C37.H68.N5.O1.F1.S3.Cl4.		10.0	853.3324	+0.1 mmu 
C22.H64.N17.O2.F1.S3.Cl4.		3.0	853.3329	-0.4 mmu 
C36.H72.N1.O5.F1.S3.Cl4.		5.0	853.3311	+1.4 mmu 
C30.H65.N11.F2.S3.Cl4.		7.0	853.3309	+1.6 mmu 
C34.H69.N5.O2.F2.S3.Cl4.		6.0	853.3336	-1.1 mmu 
C33.H73.N1.O6.F2.S3.Cl4.		1.0	853.3322	+0.3 mmu 
C27.H66.N11.O1.F3.S3.Cl4.		3.0	853.3320	+0.5 mmu 
C32.H68.N5.F5.S3.Cl4.		3.0	853.3311	+1.4 mmu 
C38.H72.N3.O1.P1.S3.Cl4.		10.0	853.3329	-0.4 mmu 
C23.H68.N15.O2.P1.S3.Cl4.		3.0	853.3334	-0.9 mmu 
C31.H69.N9.F1.P1.S3.Cl4.		7.0	853.3314	+1.1 mmu 
C35.H73.N3.O2.F1.P1.S3.Cl4.		6.0	853.3341	-1.6 mmu 
C28.H70.N9.O1.F2.P1.S3.Cl4.		3.0	853.3325	-0.0 mmu 
C33.H72.N3.F4.P1.S3.Cl4.		3.0	853.3316	+0.9 mmu 
C32.H73.N7.P2.S3.Cl4.		7.0	853.3319	+0.6 mmu 
C29.H74.N7.O1.F1.P2.S3.Cl4.		3.0	853.3330	-0.5 mmu 
C34.H76.N1.F3.P2.S3.Cl4.		3.0	853.3321	+0.4 mmu 
C30.H78.N5.O1.P3.S3.Cl4.		3.0	853.3335	-1.0 mmu 
C36.H75.N1.O4.S4.Cl4.		6.0	853.3333	-0.8 mmu 
C29.H72.N7.O3.F1.S4.Cl4.		3.0	853.3318	+0.7 mmu 
C34.H74.N1.O2.F3.S4.Cl4.		3.0	853.3309	+1.6 mmu 
C30.H76.N5.O3.P1.S4.Cl4.		3.0	853.3323	+0.2 mmu 
C30.H83.N1.O1.F1.P3.S4.Cl4.		0.0	853.3308	+1.7 mmu 
C25.H71.N13.S5.Cl4.		5.0	853.3313	+1.2 mmu 
C29.H75.N7.O2.S5.Cl4.		4.0	853.3340	-1.5 mmu 
C37.H76.N1.F1.S5.Cl4.		8.0	853.3319	+0.6 mmu 
C34.H77.N1.O1.F2.S5.Cl4.		4.0	853.3331	-0.6 mmu 
C27.H74.N7.F3.S5.Cl4.		1.0	853.3315	+1.0 mmu 
C28.H78.N5.F2.P1.S5.Cl4.		1.0	853.3321	+0.4 mmu 
C29.H82.N3.F1.P2.S5.Cl4.		1.0	853.3326	-0.1 mmu 
C30.H86.N1.P3.S5.Cl4.		1.0	853.3331	-0.6 mmu 
C29.H80.N3.O2.F1.S6.Cl4.		1.0	853.3313	+1.2 mmu 
C30.H84.N1.O2.P1.S6.Cl4.		1.0	853.3318	+0.7 mmu 
C29.H83.N3.O1.S7.Cl4.		2.0	853.3335	-1.0 mmu 
C46.H64.N1.O3.Cl5.		13.0	853.3329	-0.4 mmu 
C31.H60.N13.O4.Cl5.		6.0	853.3334	-0.9 mmu 
C30.H64.N9.O8.Cl5.		1.0	853.3320	+0.5 mmu 
C39.H61.N7.O2.F1.Cl5.		10.0	853.3313	+1.2 mmu 
C24.H57.N19.O3.F1.Cl5.		3.0	853.3318	+0.7 mmu 
C43.H65.N1.O4.F1.Cl5.		9.0	853.3340	-1.5 mmu 
C36.H62.N7.O3.F2.Cl5.		6.0	853.3325	+0.0 mmu 
C35.H66.N3.O7.F2.Cl5.		1.0	853.3311	+1.4 mmu 
C29.H59.N13.O2.F3.Cl5.		3.0	853.3309	+1.6 mmu 
C33.H63.N7.O4.F3.Cl5.		2.0	853.3336	-1.1 mmu 
C41.H64.N1.O2.F4.Cl5.		6.0	853.3316	+0.9 mmu 
C38.H65.N1.O3.F5.Cl5.		2.0	853.3327	-0.2 mmu 
C40.H65.N5.O2.P1.Cl5.		10.0	853.3319	+0.6 mmu 
C25.H61.N17.O3.P1.Cl5.		3.0	853.3324	+0.1 mmu 
C37.H66.N5.O3.F1.P1.Cl5.		6.0	853.3330	-0.5 mmu 
C36.H70.N1.O7.F1.P1.Cl5.		1.0	853.3317	+0.8 mmu 
C30.H63.N11.O2.F2.P1.Cl5.		3.0	853.3315	+1.0 mmu 
C34.H67.N5.O4.F2.P1.Cl5.		2.0	853.3341	-1.6 mmu 
C34.H66.N9.O1.P2.Cl5.		7.0	853.3308	+1.7 mmu 
C38.H70.N3.O3.P2.Cl5.		6.0	853.3335	-1.0 mmu 
C31.H67.N9.O2.F1.P2.Cl5.		3.0	853.3320	+0.5 mmu 
C36.H69.N3.O1.F3.P2.Cl5.		3.0	853.3311	+1.4 mmu 
C32.H71.N7.O2.P3.Cl5.		3.0	853.3325	+0.0 mmu 
C25.H68.N13.O1.F1.P3.Cl5.		0.0	853.3309	+1.6 mmu 
C37.H73.N1.O1.F2.P3.Cl5.		3.0	853.3316	+0.9 mmu 
C26.H72.N11.O1.P4.Cl5.		0.0	853.3314	+1.1 mmu 
C32.H78.N3.F1.P5.Cl5.		0.0	853.3310	+1.5 mmu 
C33.H82.N1.P6.Cl5.		0.0	853.3316	+0.9 mmu 
C20.H56.N25.S1.Cl5.		5.0	853.3314	+1.1 mmu 
C39.H64.N7.O1.S1.Cl5.		11.0	853.3336	-1.1 mmu 
C24.H60.N19.O2.S1.Cl5.		4.0	853.3341	-1.6 mmu 
C38.H68.N3.O5.S1.Cl5.		6.0	853.3322	+0.3 mmu 
C32.H61.N13.F1.S1.Cl5.		8.0	853.3320	+0.5 mmu 
C35.H69.N3.O6.F1.S1.Cl5.		2.0	853.3334	-0.9 mmu 
C44.H66.N1.F2.S1.Cl5.		11.0	853.3327	-0.2 mmu 
C29.H62.N13.O1.F2.S1.Cl5.		4.0	853.3332	-0.7 mmu 
C22.H59.N19.F3.S1.Cl5.		1.0	853.3316	+0.9 mmu 
C41.H67.N1.O1.F3.S1.Cl5.		7.0	853.3338	-1.3 mmu 
C34.H64.N7.F4.S1.Cl5.		4.0	853.3323	+0.2 mmu 
C31.H65.N7.O1.F5.S1.Cl5.		0.0	853.3334	-0.9 mmu 
C36.H67.N1.F7.S1.Cl5.		0.0	853.3325	-0.0 mmu 
C33.H65.N11.P1.S1.Cl5.		8.0	853.3325	-0.0 mmu 
C32.H69.N7.O4.P1.S1.Cl5.		3.0	853.3312	+1.3 mmu 
C36.H73.N1.O6.P1.S1.Cl5.		2.0	853.3339	-1.4 mmu 
C30.H66.N11.O1.F1.P1.S1.Cl5.		4.0	853.3337	-1.2 mmu 
C23.H63.N17.F2.P1.S1.Cl5.		1.0	853.3321	+0.4 mmu 
C35.H68.N5.F3.P1.S1.Cl5.		4.0	853.3328	-0.3 mmu 
C32.H69.N5.O1.F4.P1.S1.Cl5.		0.0	853.3339	-1.4 mmu 
C31.H70.N9.O1.P2.S1.Cl5.		4.0	853.3342	-1.7 mmu 
C24.H67.N15.F1.P2.S1.Cl5.		1.0	853.3326	-0.1 mmu 
C36.H72.N3.F2.P2.S1.Cl5.		4.0	853.3333	-0.8 mmu 
C25.H71.N13.P3.S1.Cl5.		1.0	853.3332	-0.7 mmu 
C37.H76.N1.F1.P3.S1.Cl5.		4.0	853.3338	-1.3 mmu 
C31.H68.N9.O3.S2.Cl5.		4.0	853.3329	-0.4 mmu 
C39.H69.N3.O1.F1.S2.Cl5.		8.0	853.3309	+1.6 mmu 
C24.H65.N15.O2.F1.S2.Cl5.		1.0	853.3314	+1.1 mmu 
C28.H69.N9.O4.F1.S2.Cl5.		0.0	853.3341	-1.6 mmu 
C36.H70.N3.O2.F2.S2.Cl5.		4.0	853.3320	+0.5 mmu 
C33.H71.N3.O3.F3.S2.Cl5.		0.0	853.3332	-0.7 mmu 
C40.H73.N1.O1.P1.S2.Cl5.		8.0	853.3314	+1.1 mmu 
C25.H69.N13.O2.P1.S2.Cl5.		1.0	853.3319	+0.6 mmu 
C37.H74.N1.O2.F1.P1.S2.Cl5.		4.0	853.3325	-0.0 mmu 
C30.H71.N7.O1.F2.P1.S2.Cl5.		1.0	853.3310	+1.5 mmu 
C34.H75.N1.O3.F2.P1.S2.Cl5.		0.0	853.3337	-1.2 mmu 
C31.H75.N5.O1.F1.P2.S2.Cl5.		1.0	853.3315	+1.0 mmu 
C32.H79.N3.O1.P3.S2.Cl5.		1.0	853.3320	+0.5 mmu 
C39.H72.N3.S3.Cl5.		9.0	853.3331	-0.6 mmu 
C24.H68.N15.O1.S3.Cl5.		2.0	853.3336	-1.1 mmu 
C29.H70.N9.F2.S3.Cl5.		2.0	853.3327	-0.2 mmu 
C30.H74.N7.F1.P1.S3.Cl5.		2.0	853.3332	-0.7 mmu 
C31.H78.N5.P2.S3.Cl5.		2.0	853.3337	-1.2 mmu 
C31.H76.N5.O2.S4.Cl5.		2.0	853.3324	+0.1 mmu 
C31.H84.N1.O1.S6.Cl5.		0.0	853.3320	+0.5 mmu 
C41.H65.N5.O1.Cl6.		9.0	853.3320	+0.5 mmu 
C26.H61.N17.O2.Cl6.		2.0	853.3325	-0.0 mmu 
C38.H66.N5.O2.F1.Cl6.		5.0	853.3332	-0.7 mmu 
C37.H70.N1.O6.F1.Cl6.		0.0	853.3318	+0.7 mmu 
C31.H63.N11.O1.F2.Cl6.		2.0	853.3316	+0.9 mmu 
C35.H66.N9.P1.Cl6.		6.0	853.3310	+1.5 mmu 
C39.H70.N3.O2.P1.Cl6.		5.0	853.3337	-1.2 mmu 
C32.H67.N9.O1.F1.P1.Cl6.		2.0	853.3321	+0.4 mmu 
C37.H69.N3.F3.P1.Cl6.		2.0	853.3312	+1.3 mmu 
C33.H71.N7.O1.P2.Cl6.		2.0	853.3326	-0.1 mmu 
C38.H73.N1.F2.P2.Cl6.		2.0	853.3317	+0.8 mmu 
C33.H69.N7.O3.S1.Cl6.		2.0	853.3314	+1.1 mmu 
C37.H73.N1.O5.S1.Cl6.		1.0	853.3341	-1.6 mmu 
C31.H66.N11.F1.S1.Cl6.		3.0	853.3339	-1.4 mmu 
C41.H73.N1.S2.Cl6.		7.0	853.3316	+0.9 mmu 
C26.H69.N13.O1.S2.Cl6.		0.0	853.3321	+0.4 mmu 
C38.H74.N1.O1.F1.S2.Cl6.		3.0	853.3327	-0.2 mmu 
C31.H71.N7.F2.S2.Cl6.		0.0	853.3312	+1.3 mmu 
C32.H75.N5.F1.P1.S2.Cl6.		0.0	853.3317	+0.8 mmu 
C33.H79.N3.P2.S2.Cl6.		0.0	853.3322	+0.3 mmu 
C33.H77.N3.O2.S3.Cl6.		0.0	853.3309	+1.6 mmu 
C40.H70.N3.O1.Cl7.		4.0	853.3339	-1.4 mmu 
C33.H67.N9.F1.Cl7.		1.0	853.3323	+0.2 mmu 
C34.H71.N7.P1.Cl7.		1.0	853.3328	-0.3 mmu 
C34.H44.N23.Br1.		24.0	853.3333	-0.8 mmu 
C48.H52.N7.O3.Br1.		26.0	853.3315	+1.0 mmu 
C33.H48.N19.O4.Br1.		19.0	853.3320	+0.5 mmu 
C52.H56.N1.O5.Br1.		25.0	853.3342	-1.7 mmu 
C36.H56.N9.O10.Br1.		13.0	853.3334	-0.9 mmu 
C21.H52.N21.O11.Br1.		6.0	853.3339	-1.4 mmu 
C35.H60.N5.O14.Br1.		8.0	853.3320	+0.5 mmu 
C20.H56.N17.O15.Br1.		1.0	853.3325	-0.0 mmu 
C46.H49.N11.F1.Br1.		27.0	853.3340	-1.5 mmu 
C45.H53.N7.O4.F1.Br1.		22.0	853.3326	-0.1 mmu 
C30.H49.N19.O5.F1.Br1.		15.0	853.3331	-0.6 mmu 
C44.H57.N3.O8.F1.Br1.		17.0	853.3313	+1.2 mmu 
C29.H53.N15.O9.F1.Br1.		10.0	853.3318	+0.7 mmu 
C32.H61.N5.O15.F1.Br1.		4.0	853.3332	-0.7 mmu 
C38.H50.N13.O3.F2.Br1.		19.0	853.3311	+1.4 mmu 
C23.H46.N25.O4.F2.Br1.		12.0	853.3316	+0.9 mmu 
C42.H54.N7.O5.F2.Br1.		18.0	853.3338	-1.3 mmu 
C41.H58.N3.O9.F2.Br1.		13.0	853.3324	+0.1 mmu 
C26.H54.N15.O10.F2.Br1.		6.0	853.3330	-0.5 mmu 
C25.H58.N11.O14.F2.Br1.		1.0	853.3316	+0.9 mmu 
C36.H47.N17.F3.Br1.		20.0	853.3336	-1.1 mmu 
C50.H55.N1.O3.F3.Br1.		22.0	853.3317	+0.8 mmu 
C35.H51.N13.O4.F3.Br1.		15.0	853.3322	+0.3 mmu 
C20.H47.N25.O5.F3.Br1.		8.0	853.3327	-0.2 mmu 
C34.H55.N9.O8.F3.Br1.		10.0	853.3309	+1.6 mmu 
C19.H51.N21.O9.F3.Br1.		3.0	853.3314	+1.1 mmu 
C38.H59.N3.O10.F3.Br1.		9.0	853.3336	-1.1 mmu 
C23.H55.N15.O11.F3.Br1.		2.0	853.3341	-1.6 mmu 
C47.H56.N1.O4.F4.Br1.		18.0	853.3329	-0.4 mmu 
C32.H52.N13.O5.F4.Br1.		11.0	853.3334	-0.9 mmu 
C17.H48.N25.O6.F4.Br1.		4.0	853.3339	-1.4 mmu 
C31.H56.N9.O9.F4.Br1.		6.0	853.3320	+0.5 mmu 
C26.H45.N23.F5.Br1.		13.0	853.3332	-0.7 mmu 
C40.H53.N7.O3.F5.Br1.		15.0	853.3313	+1.2 mmu 
C25.H49.N19.O4.F5.Br1.		8.0	853.3318	+0.7 mmu 
C44.H57.N1.O5.F5.Br1.		14.0	853.3340	-1.5 mmu 
C28.H57.N9.O10.F5.Br1.		2.0	853.3332	-0.7 mmu 
C38.H50.N11.F6.Br1.		16.0	853.3338	-1.3 mmu 
C37.H54.N7.O4.F6.Br1.		11.0	853.3325	+0.0 mmu 
C22.H50.N19.O5.F6.Br1.		4.0	853.3330	-0.5 mmu 
C36.H58.N3.O8.F6.Br1.		6.0	853.3311	+1.4 mmu 
C30.H51.N13.O3.F7.Br1.		8.0	853.3309	+1.6 mmu 
C34.H55.N7.O5.F7.Br1.		7.0	853.3336	-1.1 mmu 
C19.H51.N19.O6.F7.Br1.		0.0	853.3341	-1.6 mmu 
C33.H59.N3.O9.F7.Br1.		2.0	853.3323	+0.2 mmu 
C28.H48.N17.F8.Br1.		9.0	853.3334	-0.9 mmu 
C42.H56.N1.O3.F8.Br1.		11.0	853.3316	+0.9 mmu 
C27.H52.N13.O4.F8.Br1.		4.0	853.3321	+0.4 mmu 
C40.H53.N5.F9.Br1.		12.0	853.3341	-1.6 mmu 
C39.H57.N1.O4.F9.Br1.		7.0	853.3327	-0.2 mmu 
C24.H53.N13.O5.F9.Br1.		0.0	853.3332	-0.7 mmu 
C18.H46.N23.F10.Br1.		2.0	853.3330	-0.5 mmu 
C32.H54.N7.O3.F10.Br1.		4.0	853.3312	+1.3 mmu 
C36.H58.N1.O5.F10.Br1.		3.0	853.3339	-1.4 mmu 
C30.H51.N11.F11.Br1.		5.0	853.3337	-1.2 mmu 
C29.H55.N7.O4.F11.Br1.		0.0	853.3323	+0.2 mmu 
C27.H49.N23.O3.P1.Br1.		16.0	853.3310	+1.5 mmu 
C46.H57.N5.O4.P1.Br1.		22.0	853.3332	-0.7 mmu 
C31.H53.N17.O5.P1.Br1.		15.0	853.3337	-1.2 mmu 
C45.H61.N1.O8.P1.Br1.		17.0	853.3318	+0.7 mmu 
C30.H57.N13.O9.P1.Br1.		10.0	853.3323	+0.2 mmu 
C29.H61.N9.O13.P1.Br1.		5.0	853.3310	+1.5 mmu 
C33.H65.N3.O15.P1.Br1.		4.0	853.3337	-1.2 mmu 
C39.H54.N11.O3.F1.P1.Br1.		19.0	853.3316	+0.9 mmu 
C24.H50.N23.O4.F1.P1.Br1.		12.0	853.3321	+0.4 mmu 
C42.H62.N1.O9.F1.P1.Br1.		13.0	853.3330	-0.5 mmu 
C27.H58.N13.O10.F1.P1.Br1.		6.0	853.3335	-1.0 mmu 
C26.H62.N9.O14.F1.P1.Br1.		1.0	853.3321	+0.4 mmu 
C37.H51.N15.F2.P1.Br1.		20.0	853.3341	-1.6 mmu 
C36.H55.N11.O4.F2.P1.Br1.		15.0	853.3328	-0.3 mmu 
C21.H51.N23.O5.F2.P1.Br1.		8.0	853.3333	-0.8 mmu 
C35.H59.N7.O8.F2.P1.Br1.		10.0	853.3314	+1.1 mmu 
C20.H55.N19.O9.F2.P1.Br1.		3.0	853.3319	+0.6 mmu 
C39.H63.N1.O10.F2.P1.Br1.		9.0	853.3341	-1.6 mmu 
C29.H52.N17.O3.F3.P1.Br1.		12.0	853.3312	+1.3 mmu 
C33.H56.N11.O5.F3.P1.Br1.		11.0	853.3339	-1.4 mmu 
C32.H60.N7.O9.F3.P1.Br1.		6.0	853.3326	-0.1 mmu 
C31.H64.N3.O13.F3.P1.Br1.		1.0	853.3312	+1.3 mmu 
C27.H49.N21.F4.P1.Br1.		13.0	853.3337	-1.2 mmu 
C41.H57.N5.O3.F4.P1.Br1.		15.0	853.3319	+0.6 mmu 
C26.H53.N17.O4.F4.P1.Br1.		8.0	853.3324	+0.1 mmu 
C25.H57.N13.O8.F4.P1.Br1.		3.0	853.3310	+1.5 mmu 
C29.H61.N7.O10.F4.P1.Br1.		2.0	853.3337	-1.2 mmu 
C19.H50.N23.O3.F5.P1.Br1.		5.0	853.3308	+1.7 mmu 
C38.H58.N5.O4.F5.P1.Br1.		11.0	853.3330	-0.5 mmu 
C23.H54.N17.O5.F5.P1.Br1.		4.0	853.3335	-1.0 mmu 
C37.H62.N1.O8.F5.P1.Br1.		6.0	853.3317	+0.8 mmu 
C31.H55.N11.O3.F6.P1.Br1.		8.0	853.3315	+1.0 mmu 
C35.H59.N5.O5.F6.P1.Br1.		7.0	853.3341	-1.6 mmu 
C34.H63.N1.O9.F6.P1.Br1.		2.0	853.3328	-0.3 mmu 
C29.H52.N15.F7.P1.Br1.		9.0	853.3339	-1.4 mmu 
C28.H56.N11.O4.F7.P1.Br1.		4.0	853.3326	-0.1 mmu 
C21.H53.N17.O3.F8.P1.Br1.		1.0	853.3311	+1.4 mmu 
C25.H57.N11.O5.F8.P1.Br1.		0.0	853.3337	-1.2 mmu 
C19.H50.N21.F9.P1.Br1.		2.0	853.3335	-1.0 mmu 
C33.H58.N5.O3.F9.P1.Br1.		4.0	853.3317	+0.8 mmu 
C31.H55.N9.F10.P1.Br1.		5.0	853.3342	-1.7 mmu 
C30.H59.N5.O4.F10.P1.Br1.		0.0	853.3328	-0.3 mmu 
C26.H50.N25.P2.Br1.		17.0	853.3340	-1.5 mmu 
C40.H58.N9.O3.P2.Br1.		19.0	853.3321	+0.4 mmu 
C25.H54.N21.O4.P2.Br1.		12.0	853.3326	-0.1 mmu 
C24.H58.N17.O8.P2.Br1.		7.0	853.3313	+1.2 mmu 
C28.H62.N11.O10.P2.Br1.		6.0	853.3340	-1.5 mmu 
C27.H66.N7.O14.P2.Br1.		1.0	853.3326	-0.1 mmu 
C37.H59.N9.O4.F1.P2.Br1.		15.0	853.3333	-0.8 mmu 
C22.H55.N21.O5.F1.P2.Br1.		8.0	853.3338	-1.3 mmu 
C36.H63.N5.O8.F1.P2.Br1.		10.0	853.3319	+0.6 mmu 
C21.H59.N17.O9.F1.P2.Br1.		3.0	853.3324	+0.1 mmu 
C45.H60.N3.O2.F2.P2.Br1.		19.0	853.3312	+1.3 mmu 
C30.H56.N15.O3.F2.P2.Br1.		12.0	853.3317	+0.8 mmu 
C33.H64.N5.O9.F2.P2.Br1.		6.0	853.3331	-0.6 mmu 
C32.H68.N1.O13.F2.P2.Br1.		1.0	853.3317	+0.8 mmu 
C28.H53.N19.F3.P2.Br1.		13.0	853.3342	-1.7 mmu 
C42.H61.N3.O3.F3.P2.Br1.		15.0	853.3324	+0.1 mmu 
C27.H57.N15.O4.F3.P2.Br1.		8.0	853.3329	-0.4 mmu 
C26.H61.N11.O8.F3.P2.Br1.		3.0	853.3315	+1.0 mmu 
C35.H58.N9.O2.F4.P2.Br1.		12.0	853.3308	+1.7 mmu 
C20.H54.N21.O3.F4.P2.Br1.		5.0	853.3313	+1.2 mmu 
C39.H62.N3.O4.F4.P2.Br1.		11.0	853.3335	-1.0 mmu 
C24.H58.N15.O5.F4.P2.Br1.		4.0	853.3340	-1.5 mmu 
C18.H51.N25.F5.P2.Br1.		6.0	853.3338	-1.3 mmu 
C32.H59.N9.O3.F5.P2.Br1.		8.0	853.3320	+0.5 mmu 
C29.H60.N9.O4.F6.P2.Br1.		4.0	853.3331	-0.6 mmu 
C37.H61.N3.O2.F7.P2.Br1.		8.0	853.3311	+1.4 mmu 
C22.H57.N15.O3.F7.P2.Br1.		1.0	853.3316	+0.9 mmu 
C20.H54.N19.F8.P2.Br1.		2.0	853.3340	-1.5 mmu 
C34.H62.N3.O3.F8.P2.Br1.		4.0	853.3322	+0.3 mmu 
C31.H63.N3.O4.F9.P2.Br1.		0.0	853.3333	-0.8 mmu 
C34.H59.N13.O2.P3.Br1.		16.0	853.3311	+1.4 mmu 
C19.H55.N25.O3.P3.Br1.		9.0	853.3316	+0.9 mmu 
C38.H63.N7.O4.P3.Br1.		15.0	853.3338	-1.3 mmu 
C37.H67.N3.O8.P3.Br1.		10.0	853.3324	+0.1 mmu 
C22.H63.N15.O9.P3.Br1.		3.0	853.3329	-0.4 mmu 
C46.H64.N1.O2.F1.P3.Br1.		19.0	853.3317	+0.8 mmu 
C31.H60.N13.O3.F1.P3.Br1.		12.0	853.3322	+0.3 mmu 
C30.H64.N9.O7.F1.P3.Br1.		7.0	853.3309	+1.6 mmu 
C34.H68.N3.O9.F1.P3.Br1.		6.0	853.3336	-1.1 mmu 
C43.H65.N1.O3.F2.P3.Br1.		15.0	853.3329	-0.4 mmu 
C28.H61.N13.O4.F2.P3.Br1.		8.0	853.3334	-0.9 mmu 
C27.H65.N9.O8.F2.P3.Br1.		3.0	853.3320	+0.5 mmu 
C36.H62.N7.O2.F3.P3.Br1.		12.0	853.3313	+1.2 mmu 
C21.H58.N19.O3.F3.P3.Br1.		5.0	853.3318	+0.7 mmu 
C40.H66.N1.O4.F3.P3.Br1.		11.0	853.3340	-1.5 mmu 
C33.H63.N7.O3.F4.P3.Br1.		8.0	853.3325	+0.0 mmu 
C32.H67.N3.O7.F4.P3.Br1.		3.0	853.3311	+1.4 mmu 
C26.H60.N13.O2.F5.P3.Br1.		5.0	853.3309	+1.6 mmu 
C30.H64.N7.O4.F5.P3.Br1.		4.0	853.3336	-1.1 mmu 
C38.H65.N1.O2.F6.P3.Br1.		8.0	853.3316	+0.9 mmu 
C23.H61.N13.O3.F6.P3.Br1.		1.0	853.3321	+0.4 mmu 
C35.H66.N1.O3.F7.P3.Br1.		4.0	853.3327	-0.2 mmu 
C28.H63.N7.O2.F8.P3.Br1.		1.0	853.3312	+1.3 mmu 
C32.H67.N1.O4.F8.P3.Br1.		0.0	853.3339	-1.4 mmu 
C32.H64.N11.O3.P4.Br1.		12.0	853.3327	-0.2 mmu 
C31.H68.N7.O7.P4.Br1.		7.0	853.3314	+1.1 mmu 
C35.H72.N1.O9.P4.Br1.		6.0	853.3341	-1.6 mmu 
C25.H61.N17.O2.F1.P4.Br1.		9.0	853.3312	+1.3 mmu 
C29.H65.N11.O4.F1.P4.Br1.		8.0	853.3339	-1.4 mmu 
C28.H69.N7.O8.F1.P4.Br1.		3.0	853.3325	-0.0 mmu 
C37.H66.N5.O2.F2.P4.Br1.		12.0	853.3318	+0.7 mmu 
C22.H62.N17.O3.F2.P4.Br1.		5.0	853.3323	+0.2 mmu 
C34.H67.N5.O3.F3.P4.Br1.		8.0	853.3330	-0.5 mmu 
C33.H71.N1.O7.F3.P4.Br1.		3.0	853.3316	+0.9 mmu 
C27.H64.N11.O2.F4.P4.Br1.		5.0	853.3314	+1.1 mmu 
C31.H68.N5.O4.F4.P4.Br1.		4.0	853.3341	-1.6 mmu 
C24.H65.N11.O3.F5.P4.Br1.		1.0	853.3326	-0.1 mmu 
C29.H67.N5.O2.F7.P4.Br1.		1.0	853.3317	+0.8 mmu 
C41.H69.N3.O1.P5.Br1.		16.0	853.3312	+1.3 mmu 
C26.H65.N15.O2.P5.Br1.		9.0	853.3317	+0.8 mmu 
C29.H73.N5.O8.P5.Br1.		3.0	853.3331	-0.6 mmu 
C38.H70.N3.O2.F1.P5.Br1.		12.0	853.3324	+0.1 mmu 
C23.H66.N15.O3.F1.P5.Br1.		5.0	853.3329	-0.4 mmu 
C31.H67.N9.O1.F2.P5.Br1.		9.0	853.3308	+1.7 mmu 
C35.H71.N3.O3.F2.P5.Br1.		8.0	853.3335	-1.0 mmu 
C28.H68.N9.O2.F3.P5.Br1.		5.0	853.3320	+0.5 mmu 
C25.H69.N9.O3.F4.P5.Br1.		1.0	853.3331	-0.6 mmu 
C33.H70.N3.O1.F5.P5.Br1.		5.0	853.3311	+1.4 mmu 
C30.H71.N3.O2.F6.P5.Br1.		1.0	853.3322	+0.3 mmu 
C39.H74.N1.O2.P6.Br1.		12.0	853.3329	-0.4 mmu 
C24.H70.N13.O3.P6.Br1.		5.0	853.3334	-0.9 mmu 
C32.H71.N7.O1.F1.P6.Br1.		9.0	853.3313	+1.2 mmu 
C36.H75.N1.O3.F1.P6.Br1.		8.0	853.3340	-1.5 mmu 
C29.H72.N7.O2.F2.P6.Br1.		5.0	853.3325	+0.0 mmu 
C28.H76.N3.O6.F2.P6.Br1.		0.0	853.3311	+1.4 mmu 
C26.H73.N7.O3.F3.P6.Br1.		1.0	853.3336	-1.1 mmu 
C34.H74.N1.O1.F4.P6.Br1.		5.0	853.3316	+0.9 mmu 
C31.H75.N1.O2.F5.P6.Br1.		1.0	853.3327	-0.2 mmu 
C33.H75.N5.O1.P7.Br1.		9.0	853.3318	+0.7 mmu 
C30.H76.N5.O2.F1.P7.Br1.		5.0	853.3330	-0.5 mmu 
C29.H80.N1.O6.F1.P7.Br1.		0.0	853.3316	+0.9 mmu 
C27.H77.N5.O3.F2.P7.Br1.		1.0	853.3341	-1.6 mmu 
C27.H76.N9.P8.Br1.		6.0	853.3308	+1.7 mmu 
C31.H80.N3.O2.P8.Br1.		5.0	853.3335	-1.0 mmu 
C29.H79.N3.F3.P8.Br1.		2.0	853.3310	+1.5 mmu 
C30.H83.N1.F2.P9.Br1.		2.0	853.3315	+1.0 mmu 
C56.H56.N1.S1.Br1.		31.0	853.3317	+0.8 mmu 
C41.H52.N13.O1.S1.Br1.		24.0	853.3322	+0.3 mmu 
C26.H48.N25.O2.S1.Br1.		17.0	853.3327	-0.2 mmu 
C40.H56.N9.O5.S1.Br1.		19.0	853.3308	+1.7 mmu 
C25.H52.N21.O6.S1.Br1.		12.0	853.3314	+1.1 mmu 
C44.H60.N3.O7.S1.Br1.		18.0	853.3335	-1.0 mmu 
C29.H56.N15.O8.S1.Br1.		11.0	853.3340	-1.5 mmu 
C28.H60.N11.O12.S1.Br1.		6.0	853.3327	-0.2 mmu 
C27.H64.N7.O16.S1.Br1.		1.0	853.3314	+1.1 mmu 
C31.H68.N1.O18.S1.Br1.		0.0	853.3340	-1.5 mmu 
C53.H57.N1.O1.F1.S1.Br1.		27.0	853.3328	-0.3 mmu 
C38.H53.N13.O2.F1.S1.Br1.		20.0	853.3333	-0.8 mmu 
C23.H49.N25.O3.F1.S1.Br1.		13.0	853.3338	-1.3 mmu 
C37.H57.N9.O6.F1.S1.Br1.		15.0	853.3320	+0.5 mmu 
C22.H53.N21.O7.F1.S1.Br1.		8.0	853.3325	+0.0 mmu 
C21.H57.N17.O11.F1.S1.Br1.		3.0	853.3312	+1.3 mmu 
C25.H61.N11.O13.F1.S1.Br1.		2.0	853.3338	-1.3 mmu 
C46.H54.N7.F2.S1.Br1.		24.0	853.3313	+1.2 mmu 
C31.H50.N19.O1.F2.S1.Br1.		17.0	853.3318	+0.7 mmu 
C50.H58.N1.O2.F2.S1.Br1.		23.0	853.3340	-1.5 mmu 
C34.H58.N9.O7.F2.S1.Br1.		11.0	853.3331	-0.6 mmu 
C19.H54.N21.O8.F2.S1.Br1.		4.0	853.3336	-1.1 mmu 
C33.H62.N5.O11.F2.S1.Br1.		6.0	853.3318	+0.7 mmu 
C43.H55.N7.O1.F3.S1.Br1.		20.0	853.3324	+0.1 mmu 
C28.H51.N19.O2.F3.S1.Br1.		13.0	853.3329	-0.4 mmu 
C42.H59.N3.O5.F3.S1.Br1.		15.0	853.3311	+1.4 mmu 
C27.H55.N15.O6.F3.S1.Br1.		8.0	853.3316	+0.9 mmu 
C30.H63.N5.O12.F3.S1.Br1.		2.0	853.3329	-0.4 mmu 
C36.H52.N13.F4.S1.Br1.		17.0	853.3309	+1.6 mmu 
C21.H48.N25.O1.F4.S1.Br1.		10.0	853.3314	+1.1 mmu 
C40.H56.N7.O2.F4.S1.Br1.		16.0	853.3336	-1.1 mmu 
C25.H52.N19.O3.F4.S1.Br1.		9.0	853.3341	-1.6 mmu 
C39.H60.N3.O6.F4.S1.Br1.		11.0	853.3322	+0.3 mmu 
C24.H56.N15.O7.F4.S1.Br1.		4.0	853.3327	-0.2 mmu 
C48.H57.N1.F5.S1.Br1.		20.0	853.3315	+1.0 mmu 
C33.H53.N13.O1.F5.S1.Br1.		13.0	853.3320	+0.5 mmu 
C18.H49.N25.O2.F5.S1.Br1.		6.0	853.3325	-0.0 mmu 
C36.H61.N3.O7.F5.S1.Br1.		7.0	853.3334	-0.9 mmu 
C21.H57.N15.O8.F5.S1.Br1.		0.0	853.3339	-1.4 mmu 
C45.H58.N1.O1.F6.S1.Br1.		16.0	853.3327	-0.2 mmu 
C30.H54.N13.O2.F6.S1.Br1.		9.0	853.3332	-0.7 mmu 
C29.H58.N9.O6.F6.S1.Br1.		4.0	853.3318	+0.7 mmu 
C38.H55.N7.F7.S1.Br1.		13.0	853.3311	+1.4 mmu 
C23.H51.N19.O1.F7.S1.Br1.		6.0	853.3316	+0.9 mmu 
C42.H59.N1.O2.F7.S1.Br1.		12.0	853.3338	-1.3 mmu 
C26.H59.N9.O7.F7.S1.Br1.		0.0	853.3330	-0.5 mmu 
C35.H56.N7.O1.F8.S1.Br1.		9.0	853.3323	+0.2 mmu 
C20.H52.N19.O2.F8.S1.Br1.		2.0	853.3328	-0.3 mmu 
C34.H60.N3.O5.F8.S1.Br1.		4.0	853.3309	+1.6 mmu 
C32.H57.N7.O2.F9.S1.Br1.		5.0	853.3334	-0.9 mmu 
C31.H61.N3.O6.F9.S1.Br1.		0.0	853.3321	+0.4 mmu 
C40.H58.N1.F10.S1.Br1.		9.0	853.3314	+1.1 mmu 
C25.H54.N13.O1.F10.S1.Br1.		2.0	853.3319	+0.6 mmu 
C37.H59.N1.O1.F11.S1.Br1.		5.0	853.3325	-0.0 mmu 
C30.H56.N7.F12.S1.Br1.		2.0	853.3310	+1.5 mmu 
C34.H60.N1.O2.F12.S1.Br1.		1.0	853.3337	-1.2 mmu 
C35.H53.N17.P1.S1.Br1.		21.0	853.3312	+1.3 mmu 
C39.H57.N11.O2.P1.S1.Br1.		20.0	853.3338	-1.3 mmu 
C38.H61.N7.O6.P1.S1.Br1.		15.0	853.3325	-0.0 mmu 
C23.H57.N19.O7.P1.S1.Br1.		8.0	853.3330	-0.5 mmu 
C37.H65.N3.O10.P1.S1.Br1.		10.0	853.3312	+1.3 mmu 
C22.H61.N15.O11.P1.S1.Br1.		3.0	853.3317	+0.8 mmu 
C47.H58.N5.F1.P1.S1.Br1.		24.0	853.3318	+0.7 mmu 
C32.H54.N17.O1.F1.P1.S1.Br1.		17.0	853.3323	+0.2 mmu 
C31.H58.N13.O5.F1.P1.S1.Br1.		12.0	853.3310	+1.5 mmu 
C35.H62.N7.O7.F1.P1.S1.Br1.		11.0	853.3336	-1.1 mmu 
C20.H58.N19.O8.F1.P1.S1.Br1.		4.0	853.3341	-1.6 mmu 
C34.H66.N3.O11.F1.P1.S1.Br1.		6.0	853.3323	+0.2 mmu 
C44.H59.N5.O1.F2.P1.S1.Br1.		20.0	853.3329	-0.4 mmu 
C29.H55.N17.O2.F2.P1.S1.Br1.		13.0	853.3334	-0.9 mmu 
C43.H63.N1.O5.F2.P1.S1.Br1.		15.0	853.3316	+0.9 mmu 
C28.H59.N13.O6.F2.P1.S1.Br1.		8.0	853.3321	+0.4 mmu 
C31.H67.N3.O12.F2.P1.S1.Br1.		2.0	853.3335	-1.0 mmu 
C37.H56.N11.F3.P1.S1.Br1.		17.0	853.3314	+1.1 mmu 
C22.H52.N23.O1.F3.P1.S1.Br1.		10.0	853.3319	+0.6 mmu 
C41.H60.N5.O2.F3.P1.S1.Br1.		16.0	853.3341	-1.6 mmu 
C40.H64.N1.O6.F3.P1.S1.Br1.		11.0	853.3327	-0.2 mmu 
C25.H60.N13.O7.F3.P1.S1.Br1.		4.0	853.3332	-0.7 mmu 
C34.H57.N11.O1.F4.P1.S1.Br1.		13.0	853.3325	-0.0 mmu 
C19.H53.N23.O2.F4.P1.S1.Br1.		6.0	853.3330	-0.5 mmu 
C33.H61.N7.O5.F4.P1.S1.Br1.		8.0	853.3312	+1.3 mmu 
C37.H65.N1.O7.F4.P1.S1.Br1.		7.0	853.3339	-1.4 mmu 
C27.H54.N17.F5.P1.S1.Br1.		10.0	853.3310	+1.5 mmu 
C31.H58.N11.O2.F5.P1.S1.Br1.		9.0	853.3337	-1.2 mmu 
C30.H62.N7.O6.F5.P1.S1.Br1.		4.0	853.3323	+0.2 mmu 
C39.H59.N5.F6.P1.S1.Br1.		13.0	853.3316	+0.9 mmu 
C24.H55.N17.O1.F6.P1.S1.Br1.		6.0	853.3321	+0.4 mmu 
C23.H59.N13.O5.F6.P1.S1.Br1.		1.0	853.3308	+1.7 mmu 
C27.H63.N7.O7.F6.P1.S1.Br1.		0.0	853.3335	-1.0 mmu 
C36.H60.N5.O1.F7.P1.S1.Br1.		9.0	853.3328	-0.3 mmu 
C21.H56.N17.O2.F7.P1.S1.Br1.		2.0	853.3333	-0.8 mmu 
C35.H64.N1.O5.F7.P1.S1.Br1.		4.0	853.3314	+1.1 mmu 
C29.H57.N11.F8.P1.S1.Br1.		6.0	853.3312	+1.3 mmu 
C33.H61.N5.O2.F8.P1.S1.Br1.		5.0	853.3339	-1.4 mmu 
C32.H65.N1.O6.F8.P1.S1.Br1.		0.0	853.3326	-0.1 mmu 
C26.H58.N11.O1.F9.P1.S1.Br1.		2.0	853.3324	+0.1 mmu 
C31.H60.N5.F11.P1.S1.Br1.		2.0	853.3315	+1.0 mmu 
C48.H62.N3.P2.S1.Br1.		24.0	853.3323	+0.2 mmu 
C33.H58.N15.O1.P2.S1.Br1.		17.0	853.3328	-0.3 mmu 
C32.H62.N11.O5.P2.S1.Br1.		12.0	853.3315	+1.0 mmu 
C36.H66.N5.O7.P2.S1.Br1.		11.0	853.3342	-1.7 mmu 
C35.H70.N1.O11.P2.S1.Br1.		6.0	853.3328	-0.3 mmu 
C26.H55.N21.F1.P2.S1.Br1.		14.0	853.3313	+1.2 mmu 
C45.H63.N3.O1.F1.P2.S1.Br1.		20.0	853.3334	-0.9 mmu 
C30.H59.N15.O2.F1.P2.S1.Br1.		13.0	853.3340	-1.5 mmu 
C29.H63.N11.O6.F1.P2.S1.Br1.		8.0	853.3326	-0.1 mmu 
C28.H67.N7.O10.F1.P2.S1.Br1.		3.0	853.3313	+1.2 mmu 
C32.H71.N1.O12.F1.P2.S1.Br1.		2.0	853.3340	-1.5 mmu 
C38.H60.N9.F2.P2.S1.Br1.		17.0	853.3319	+0.6 mmu 
C23.H56.N21.O1.F2.P2.S1.Br1.		10.0	853.3324	+0.1 mmu 
C22.H60.N17.O5.F2.P2.S1.Br1.		5.0	853.3311	+1.4 mmu 
C26.H64.N11.O7.F2.P2.S1.Br1.		4.0	853.3338	-1.3 mmu 
C35.H61.N9.O1.F3.P2.S1.Br1.		13.0	853.3330	-0.5 mmu 
C20.H57.N21.O2.F3.P2.S1.Br1.		6.0	853.3336	-1.1 mmu 
C34.H65.N5.O5.F3.P2.S1.Br1.		8.0	853.3317	+0.8 mmu 
C28.H58.N15.F4.P2.S1.Br1.		10.0	853.3315	+1.0 mmu 
C32.H62.N9.O2.F4.P2.S1.Br1.		9.0	853.3342	-1.7 mmu 
C31.H66.N5.O6.F4.P2.S1.Br1.		4.0	853.3329	-0.4 mmu 
C40.H63.N3.F5.P2.S1.Br1.		13.0	853.3321	+0.4 mmu 
C25.H59.N15.O1.F5.P2.S1.Br1.		6.0	853.3326	-0.1 mmu 
C24.H63.N11.O5.F5.P2.S1.Br1.		1.0	853.3313	+1.2 mmu 
C28.H67.N5.O7.F5.P2.S1.Br1.		0.0	853.3340	-1.5 mmu 
C37.H64.N3.O1.F6.P2.S1.Br1.		9.0	853.3333	-0.8 mmu 
C22.H60.N15.O2.F6.P2.S1.Br1.		2.0	853.3338	-1.3 mmu 
C30.H61.N9.F7.P2.S1.Br1.		6.0	853.3317	+0.8 mmu 
C27.H62.N9.O1.F8.P2.S1.Br1.		2.0	853.3329	-0.4 mmu 
C32.H64.N3.F10.P2.S1.Br1.		2.0	853.3320	+0.5 mmu 
C27.H59.N19.P3.S1.Br1.		14.0	853.3318	+0.7 mmu 
C46.H67.N1.O1.P3.S1.Br1.		20.0	853.3340	-1.5 mmu 
C30.H67.N9.O6.P3.S1.Br1.		8.0	853.3331	-0.6 mmu 
C29.H71.N5.O10.P3.S1.Br1.		3.0	853.3318	+0.7 mmu 
C39.H64.N7.F1.P3.S1.Br1.		17.0	853.3324	+0.1 mmu 
C24.H60.N19.O1.F1.P3.S1.Br1.		10.0	853.3329	-0.4 mmu 
C38.H68.N3.O4.F1.P3.S1.Br1.		12.0	853.3311	+1.4 mmu 
C23.H64.N15.O5.F1.P3.S1.Br1.		5.0	853.3316	+0.9 mmu 
C36.H65.N7.O1.F2.P3.S1.Br1.		13.0	853.3336	-1.1 mmu 
C21.H61.N19.O2.F2.P3.S1.Br1.		6.0	853.3341	-1.6 mmu 
C35.H69.N3.O5.F2.P3.S1.Br1.		8.0	853.3322	+0.3 mmu 
C29.H62.N13.F3.P3.S1.Br1.		10.0	853.3320	+0.5 mmu 
C32.H70.N3.O6.F3.P3.S1.Br1.		4.0	853.3334	-0.9 mmu 
C41.H67.N1.F4.P3.S1.Br1.		13.0	853.3327	-0.2 mmu 
C26.H63.N13.O1.F4.P3.S1.Br1.		6.0	853.3332	-0.7 mmu 
C25.H67.N9.O5.F4.P3.S1.Br1.		1.0	853.3318	+0.7 mmu 
C38.H68.N1.O1.F5.P3.S1.Br1.		9.0	853.3338	-1.3 mmu 
C31.H65.N7.F6.P3.S1.Br1.		6.0	853.3323	+0.2 mmu 
C30.H69.N3.O4.F6.P3.S1.Br1.		1.0	853.3309	+1.6 mmu 
C28.H66.N7.O1.F7.P3.S1.Br1.		2.0	853.3334	-0.9 mmu 
C33.H68.N1.F9.P3.S1.Br1.		2.0	853.3325	+0.0 mmu 
C40.H68.N5.P4.S1.Br1.		17.0	853.3329	-0.4 mmu 
C25.H64.N17.O1.P4.S1.Br1.		10.0	853.3334	-0.9 mmu 
C39.H72.N1.O4.P4.S1.Br1.		12.0	853.3316	+0.9 mmu 
C24.H68.N13.O5.P4.S1.Br1.		5.0	853.3321	+0.4 mmu 
C37.H69.N5.O1.F1.P4.S1.Br1.		13.0	853.3341	-1.6 mmu 
C36.H73.N1.O5.F1.P4.S1.Br1.		8.0	853.3327	-0.2 mmu 
C30.H66.N11.F2.P4.S1.Br1.		10.0	853.3325	-0.0 mmu 
C29.H70.N7.O4.F2.P4.S1.Br1.		5.0	853.3312	+1.3 mmu 
C33.H74.N1.O6.F2.P4.S1.Br1.		4.0	853.3339	-1.4 mmu 
C27.H67.N11.O1.F3.P4.S1.Br1.		6.0	853.3337	-1.2 mmu 
C26.H71.N7.O5.F3.P4.S1.Br1.		1.0	853.3323	+0.2 mmu 
C32.H69.N5.F5.P4.S1.Br1.		6.0	853.3328	-0.3 mmu 
C31.H73.N1.O4.F5.P4.S1.Br1.		1.0	853.3314	+1.1 mmu 
C29.H70.N5.O1.F6.P4.S1.Br1.		2.0	853.3339	-1.4 mmu 
C31.H70.N9.F1.P5.S1.Br1.		10.0	853.3330	-0.5 mmu 
C30.H74.N5.O4.F1.P5.S1.Br1.		5.0	853.3317	+0.8 mmu 
C28.H71.N9.O1.F2.P5.S1.Br1.		6.0	853.3342	-1.7 mmu 
C27.H75.N5.O5.F2.P5.S1.Br1.		1.0	853.3328	-0.3 mmu 
C33.H73.N3.F4.P5.S1.Br1.		6.0	853.3333	-0.8 mmu 
C32.H74.N7.P6.S1.Br1.		10.0	853.3335	-1.0 mmu 
C31.H78.N3.O4.P6.S1.Br1.		5.0	853.3322	+0.3 mmu 
C28.H79.N3.O5.F1.P6.S1.Br1.		1.0	853.3334	-0.9 mmu 
C34.H77.N1.F3.P6.S1.Br1.		6.0	853.3338	-1.3 mmu 
C29.H83.N1.O5.P7.S1.Br1.		1.0	853.3339	-1.4 mmu 
C48.H60.N3.O2.S2.Br1.		24.0	853.3310	+1.5 mmu 
C33.H56.N15.O3.S2.Br1.		17.0	853.3315	+1.0 mmu 
C36.H64.N5.O9.S2.Br1.		11.0	853.3329	-0.4 mmu 
C21.H60.N17.O10.S2.Br1.		4.0	853.3334	-0.9 mmu 
C35.H68.N1.O13.S2.Br1.		6.0	853.3315	+1.0 mmu 
C31.H53.N19.F1.S2.Br1.		18.0	853.3340	-1.5 mmu 
C45.H61.N3.O3.F1.S2.Br1.		20.0	853.3322	+0.3 mmu 
C30.H57.N15.O4.F1.S2.Br1.		13.0	853.3327	-0.2 mmu 
C29.H61.N11.O8.F1.S2.Br1.		8.0	853.3313	+1.2 mmu 
C33.H65.N5.O10.F1.S2.Br1.		7.0	853.3340	-1.5 mmu 
C32.H69.N1.O14.F1.S2.Br1.		2.0	853.3327	-0.2 mmu 
C23.H54.N21.O3.F2.S2.Br1.		10.0	853.3311	+1.4 mmu 
C42.H62.N3.O4.F2.S2.Br1.		16.0	853.3333	-0.8 mmu 
C27.H58.N15.O5.F2.S2.Br1.		9.0	853.3338	-1.3 mmu 
C26.H62.N11.O9.F2.S2.Br1.		4.0	853.3325	+0.0 mmu 
C21.H51.N25.F3.S2.Br1.		11.0	853.3336	-1.1 mmu 
C35.H59.N9.O3.F3.S2.Br1.		13.0	853.3318	+0.7 mmu 
C20.H55.N21.O4.F3.S2.Br1.		6.0	853.3323	+0.2 mmu 
C23.H63.N11.O10.F3.S2.Br1.		0.0	853.3336	-1.1 mmu 
C32.H60.N9.O4.F4.S2.Br1.		9.0	853.3329	-0.4 mmu 
C31.H64.N5.O8.F4.S2.Br1.		4.0	853.3316	+0.9 mmu 
C40.H61.N3.O2.F5.S2.Br1.		13.0	853.3309	+1.6 mmu 
C25.H57.N15.O3.F5.S2.Br1.		6.0	853.3314	+1.1 mmu 
C29.H61.N9.O5.F5.S2.Br1.		5.0	853.3341	-1.6 mmu 
C28.H65.N5.O9.F5.S2.Br1.		0.0	853.3327	-0.2 mmu 
C23.H54.N19.F6.S2.Br1.		7.0	853.3339	-1.4 mmu 
C37.H62.N3.O3.F6.S2.Br1.		9.0	853.3320	+0.5 mmu 
C22.H58.N15.O4.F6.S2.Br1.		2.0	853.3325	-0.0 mmu 
C34.H63.N3.O4.F7.S2.Br1.		5.0	853.3332	-0.7 mmu 
C27.H60.N9.O3.F8.S2.Br1.		2.0	853.3316	+0.9 mmu 
C25.H57.N13.F9.S2.Br1.		3.0	853.3341	-1.6 mmu 
C46.H65.N1.O3.P1.S2.Br1.		20.0	853.3327	-0.2 mmu 
C31.H61.N13.O4.P1.S2.Br1.		13.0	853.3332	-0.7 mmu 
C30.H65.N9.O8.P1.S2.Br1.		8.0	853.3319	+0.6 mmu 
C39.H62.N7.O2.F1.P1.S2.Br1.		17.0	853.3311	+1.4 mmu 
C24.H58.N19.O3.F1.P1.S2.Br1.		10.0	853.3316	+0.9 mmu 
C43.H66.N1.O4.F1.P1.S2.Br1.		16.0	853.3338	-1.3 mmu 
C27.H66.N9.O9.F1.P1.S2.Br1.		4.0	853.3330	-0.5 mmu 
C22.H55.N23.F2.P1.S2.Br1.		11.0	853.3341	-1.6 mmu 
C36.H63.N7.O3.F2.P1.S2.Br1.		13.0	853.3323	+0.2 mmu 
C21.H59.N19.O4.F2.P1.S2.Br1.		6.0	853.3328	-0.3 mmu 
C35.H67.N3.O7.F2.P1.S2.Br1.		8.0	853.3309	+1.6 mmu 
C24.H67.N9.O10.F2.P1.S2.Br1.		0.0	853.3341	-1.6 mmu 
C33.H64.N7.O4.F3.P1.S2.Br1.		9.0	853.3334	-0.9 mmu 
C32.H68.N3.O8.F3.P1.S2.Br1.		4.0	853.3321	+0.4 mmu 
C41.H65.N1.O2.F4.P1.S2.Br1.		13.0	853.3314	+1.1 mmu 
C26.H61.N13.O3.F4.P1.S2.Br1.		6.0	853.3319	+0.6 mmu 
C29.H69.N3.O9.F4.P1.S2.Br1.		0.0	853.3332	-0.7 mmu 
C38.H66.N1.O3.F5.P1.S2.Br1.		9.0	853.3325	-0.0 mmu 
C23.H62.N13.O4.F5.P1.S2.Br1.		2.0	853.3330	-0.5 mmu 
C31.H63.N7.O2.F6.P1.S2.Br1.		6.0	853.3310	+1.5 mmu 
C35.H67.N1.O4.F6.P1.S2.Br1.		5.0	853.3337	-1.2 mmu 
C28.H64.N7.O3.F7.P1.S2.Br1.		2.0	853.3321	+0.4 mmu 
C33.H66.N1.O2.F9.P1.S2.Br1.		2.0	853.3312	+1.3 mmu 
C40.H66.N5.O2.P2.S2.Br1.		17.0	853.3317	+0.8 mmu 
C25.H62.N17.O3.P2.S2.Br1.		10.0	853.3322	+0.3 mmu 
C24.H66.N13.O7.P2.S2.Br1.		5.0	853.3308	+1.7 mmu 
C28.H70.N7.O9.P2.S2.Br1.		4.0	853.3335	-1.0 mmu 
C37.H67.N5.O3.F1.P2.S2.Br1.		13.0	853.3328	-0.3 mmu 
C22.H63.N17.O4.F1.P2.S2.Br1.		6.0	853.3333	-0.8 mmu 
C36.H71.N1.O7.F1.P2.S2.Br1.		8.0	853.3315	+1.0 mmu 
C30.H64.N11.O2.F2.P2.S2.Br1.		10.0	853.3313	+1.2 mmu 
C34.H68.N5.O4.F2.P2.S2.Br1.		9.0	853.3339	-1.4 mmu 
C33.H72.N1.O8.F2.P2.S2.Br1.		4.0	853.3326	-0.1 mmu 
C27.H65.N11.O3.F3.P2.S2.Br1.		6.0	853.3324	+0.1 mmu 
C26.H69.N7.O7.F3.P2.S2.Br1.		1.0	853.3311	+1.4 mmu 
C30.H73.N1.O9.F3.P2.S2.Br1.		0.0	853.3337	-1.2 mmu 
C24.H66.N11.O4.F4.P2.S2.Br1.		2.0	853.3335	-1.0 mmu 
C32.H67.N5.O2.F5.P2.S2.Br1.		6.0	853.3315	+1.0 mmu 
C29.H68.N5.O3.F6.P2.S2.Br1.		2.0	853.3326	-0.1 mmu 
C38.H71.N3.O3.P3.S2.Br1.		13.0	853.3333	-0.8 mmu 
C23.H67.N15.O4.P3.S2.Br1.		6.0	853.3338	-1.3 mmu 
C31.H68.N9.O2.F1.P3.S2.Br1.		10.0	853.3318	+0.7 mmu 
C28.H69.N9.O3.F2.P3.S2.Br1.		6.0	853.3329	-0.4 mmu 
C27.H73.N5.O7.F2.P3.S2.Br1.		1.0	853.3316	+0.9 mmu 
C36.H70.N3.O1.F3.P3.S2.Br1.		10.0	853.3309	+1.6 mmu 
C25.H70.N9.O4.F3.P3.S2.Br1.		2.0	853.3340	-1.5 mmu 
C33.H71.N3.O2.F4.P3.S2.Br1.		6.0	853.3320	+0.5 mmu 
C30.H72.N3.O3.F5.P3.S2.Br1.		2.0	853.3331	-0.6 mmu 
C32.H72.N7.O2.P4.S2.Br1.		10.0	853.3323	+0.2 mmu 
C31.H76.N3.O6.P4.S2.Br1.		5.0	853.3309	+1.6 mmu 
C29.H73.N7.O3.F1.P4.S2.Br1.		6.0	853.3334	-0.9 mmu 
C28.H77.N3.O7.F1.P4.S2.Br1.		1.0	853.3321	+0.4 mmu 
C37.H74.N1.O1.F2.P4.S2.Br1.		10.0	853.3314	+1.1 mmu 
C34.H75.N1.O2.F3.P4.S2.Br1.		6.0	853.3325	-0.0 mmu 
C27.H72.N7.O1.F4.P4.S2.Br1.		3.0	853.3310	+1.5 mmu 
C31.H76.N1.O3.F4.P4.S2.Br1.		2.0	853.3337	-1.2 mmu 
C26.H73.N11.O1.P5.S2.Br1.		7.0	853.3312	+1.3 mmu 
C30.H77.N5.O3.P5.S2.Br1.		6.0	853.3339	-1.4 mmu 
C29.H81.N1.O7.P5.S2.Br1.		1.0	853.3326	-0.1 mmu 
C28.H76.N5.O1.F3.P5.S2.Br1.		3.0	853.3315	+1.0 mmu 
C32.H79.N3.F1.P6.S2.Br1.		7.0	853.3309	+1.6 mmu 
C29.H80.N3.O1.F2.P6.S2.Br1.		3.0	853.3320	+0.5 mmu 
C33.H83.N1.P7.S2.Br1.		7.0	853.3314	+1.1 mmu 
C30.H84.N1.O1.F1.P7.S2.Br1.		3.0	853.3325	-0.0 mmu 
C41.H60.N9.S3.Br1.		22.0	853.3317	+0.8 mmu 
C26.H56.N21.O1.S3.Br1.		15.0	853.3322	+0.3 mmu 
C25.H60.N17.O5.S3.Br1.		10.0	853.3309	+1.6 mmu 
C29.H64.N11.O7.S3.Br1.		9.0	853.3336	-1.1 mmu 
C28.H68.N7.O11.S3.Br1.		4.0	853.3322	+0.3 mmu 
C38.H61.N9.O1.F1.S3.Br1.		18.0	853.3329	-0.4 mmu 
C23.H57.N21.O2.F1.S3.Br1.		11.0	853.3334	-0.9 mmu 
C37.H65.N5.O5.F1.S3.Br1.		13.0	853.3315	+1.0 mmu 
C22.H61.N17.O6.F1.S3.Br1.		6.0	853.3320	+0.5 mmu 
C25.H69.N7.O12.F1.S3.Br1.		0.0	853.3334	-0.9 mmu 
C31.H58.N15.F2.S3.Br1.		15.0	853.3313	+1.2 mmu 
C35.H62.N9.O2.F2.S3.Br1.		14.0	853.3340	-1.5 mmu 
C34.H66.N5.O6.F2.S3.Br1.		9.0	853.3327	-0.2 mmu 
C33.H70.N1.O10.F2.S3.Br1.		4.0	853.3313	+1.2 mmu 
C43.H63.N3.F3.S3.Br1.		18.0	853.3320	+0.5 mmu 
C28.H59.N15.O1.F3.S3.Br1.		11.0	853.3325	+0.0 mmu 
C27.H63.N11.O5.F3.S3.Br1.		6.0	853.3311	+1.4 mmu 
C31.H67.N5.O7.F3.S3.Br1.		5.0	853.3338	-1.3 mmu 
C30.H71.N1.O11.F3.S3.Br1.		0.0	853.3325	+0.0 mmu 
C21.H56.N21.F4.S3.Br1.		8.0	853.3309	+1.6 mmu 
C40.H64.N3.O1.F4.S3.Br1.		14.0	853.3331	-0.6 mmu 
C25.H60.N15.O2.F4.S3.Br1.		7.0	853.3336	-1.1 mmu 
C24.H64.N11.O6.F4.S3.Br1.		2.0	853.3323	+0.2 mmu 
C33.H61.N9.F5.S3.Br1.		11.0	853.3316	+0.9 mmu 
C30.H62.N9.O1.F6.S3.Br1.		7.0	853.3327	-0.2 mmu 
C29.H66.N5.O5.F6.S3.Br1.		2.0	853.3314	+1.1 mmu 
C23.H59.N15.F7.S3.Br1.		4.0	853.3312	+1.3 mmu 
C27.H63.N9.O2.F7.S3.Br1.		3.0	853.3338	-1.3 mmu 
C35.H64.N3.F8.S3.Br1.		7.0	853.3318	+0.7 mmu 
C20.H60.N15.O1.F8.S3.Br1.		0.0	853.3323	+0.2 mmu 
C32.H65.N3.O1.F9.S3.Br1.		3.0	853.3329	-0.4 mmu 
C25.H62.N9.F10.S3.Br1.		0.0	853.3314	+1.1 mmu 
C20.H57.N25.P1.S3.Br1.		12.0	853.3312	+1.3 mmu 
C39.H65.N7.O1.P1.S3.Br1.		18.0	853.3334	-0.9 mmu 
C24.H61.N19.O2.P1.S3.Br1.		11.0	853.3339	-1.4 mmu 
C38.H69.N3.O5.P1.S3.Br1.		13.0	853.3320	+0.5 mmu 
C23.H65.N15.O6.P1.S3.Br1.		6.0	853.3325	-0.0 mmu 
C26.H73.N5.O12.P1.S3.Br1.		0.0	853.3339	-1.4 mmu 
C32.H62.N13.F1.P1.S3.Br1.		15.0	853.3318	+0.7 mmu 
C35.H70.N3.O6.F1.P1.S3.Br1.		9.0	853.3332	-0.7 mmu 
C44.H67.N1.F2.P1.S3.Br1.		18.0	853.3325	+0.0 mmu 
C29.H63.N13.O1.F2.P1.S3.Br1.		11.0	853.3330	-0.5 mmu 
C28.H67.N9.O5.F2.P1.S3.Br1.		6.0	853.3316	+0.9 mmu 
C22.H60.N19.F3.P1.S3.Br1.		8.0	853.3314	+1.1 mmu 
C41.H68.N1.O1.F3.P1.S3.Br1.		14.0	853.3336	-1.1 mmu 
C26.H64.N13.O2.F3.P1.S3.Br1.		7.0	853.3341	-1.6 mmu 
C25.H68.N9.O6.F3.P1.S3.Br1.		2.0	853.3328	-0.3 mmu 
C34.H65.N7.F4.P1.S3.Br1.		11.0	853.3321	+0.4 mmu 
C31.H66.N7.O1.F5.P1.S3.Br1.		7.0	853.3332	-0.7 mmu 
C30.H70.N3.O5.F5.P1.S3.Br1.		2.0	853.3319	+0.6 mmu 
C24.H63.N13.F6.P1.S3.Br1.		4.0	853.3317	+0.8 mmu 
C36.H68.N1.F7.P1.S3.Br1.		7.0	853.3323	+0.2 mmu 
C33.H69.N1.O1.F8.P1.S3.Br1.		3.0	853.3335	-1.0 mmu 
C26.H66.N7.F9.P1.S3.Br1.		0.0	853.3319	+0.6 mmu 
C33.H66.N11.P2.S3.Br1.		15.0	853.3323	+0.2 mmu 
C32.H70.N7.O4.P2.S3.Br1.		10.0	853.3310	+1.5 mmu 
C36.H74.N1.O6.P2.S3.Br1.		9.0	853.3337	-1.2 mmu 
C30.H67.N11.O1.F1.P2.S3.Br1.		11.0	853.3335	-1.0 mmu 
C29.H71.N7.O5.F1.P2.S3.Br1.		6.0	853.3321	+0.4 mmu 
C28.H75.N3.O9.F1.P2.S3.Br1.		1.0	853.3308	+1.7 mmu 
C23.H64.N17.F2.P2.S3.Br1.		8.0	853.3319	+0.6 mmu 
C26.H72.N7.O6.F2.P2.S3.Br1.		2.0	853.3333	-0.8 mmu 
C35.H69.N5.F3.P2.S3.Br1.		11.0	853.3326	-0.1 mmu 
C34.H73.N1.O4.F3.P2.S3.Br1.		6.0	853.3312	+1.3 mmu 
C32.H70.N5.O1.F4.P2.S3.Br1.		7.0	853.3337	-1.2 mmu 
C31.H74.N1.O5.F4.P2.S3.Br1.		2.0	853.3324	+0.1 mmu 
C25.H67.N11.F5.P2.S3.Br1.		4.0	853.3322	+0.3 mmu 
C27.H70.N5.F8.P2.S3.Br1.		0.0	853.3324	+0.1 mmu 
C31.H71.N9.O1.P3.S3.Br1.		11.0	853.3340	-1.5 mmu 
C30.H75.N5.O5.P3.S3.Br1.		6.0	853.3327	-0.2 mmu 
C29.H79.N1.O9.P3.S3.Br1.		1.0	853.3313	+1.2 mmu 
C24.H68.N15.F1.P3.S3.Br1.		8.0	853.3324	+0.1 mmu 
C27.H76.N5.O6.F1.P3.S3.Br1.		2.0	853.3338	-1.3 mmu 
C36.H73.N3.F2.P3.S3.Br1.		11.0	853.3331	-0.6 mmu 
C26.H71.N9.F4.P3.S3.Br1.		4.0	853.3327	-0.2 mmu 
C28.H74.N3.F7.P3.S3.Br1.		0.0	853.3329	-0.4 mmu 
C25.H72.N13.P4.S3.Br1.		8.0	853.3330	-0.5 mmu 
C37.H77.N1.F1.P4.S3.Br1.		11.0	853.3336	-1.1 mmu 
C27.H75.N7.F3.P4.S3.Br1.		4.0	853.3332	-0.7 mmu 
C29.H78.N1.F6.P4.S3.Br1.		0.0	853.3334	-0.9 mmu 
C30.H82.N1.O3.F1.P5.S3.Br1.		3.0	853.3312	+1.3 mmu 
C28.H79.N5.F2.P5.S3.Br1.		4.0	853.3337	-1.2 mmu 
C33.H64.N11.O2.S4.Br1.		15.0	853.3311	+1.4 mmu 
C37.H68.N5.O4.S4.Br1.		14.0	853.3338	-1.3 mmu 
C36.H72.N1.O8.S4.Br1.		9.0	853.3324	+0.1 mmu 
C30.H65.N11.O3.F1.S4.Br1.		11.0	853.3322	+0.3 mmu 
C29.H69.N7.O7.F1.S4.Br1.		6.0	853.3309	+1.6 mmu 
C33.H73.N1.O9.F1.S4.Br1.		5.0	853.3336	-1.1 mmu 
C27.H66.N11.O4.F2.S4.Br1.		7.0	853.3334	-0.9 mmu 
C26.H70.N7.O8.F2.S4.Br1.		2.0	853.3320	+0.5 mmu 
C35.H67.N5.O2.F3.S4.Br1.		11.0	853.3313	+1.2 mmu 
C32.H68.N5.O3.F4.S4.Br1.		7.0	853.3324	+0.1 mmu 
C31.H72.N1.O7.F4.S4.Br1.		2.0	853.3311	+1.4 mmu 
C25.H65.N11.O2.F5.S4.Br1.		4.0	853.3309	+1.6 mmu 
C29.H69.N5.O4.F5.S4.Br1.		3.0	853.3336	-1.1 mmu 
C22.H66.N11.O3.F6.S4.Br1.		0.0	853.3320	+0.5 mmu 
C27.H68.N5.O2.F8.S4.Br1.		0.0	853.3311	+1.4 mmu 
C31.H69.N9.O3.P1.S4.Br1.		11.0	853.3327	-0.2 mmu 
C30.H73.N5.O7.P1.S4.Br1.		6.0	853.3314	+1.1 mmu 
C24.H66.N15.O2.F1.P1.S4.Br1.		8.0	853.3312	+1.3 mmu 
C28.H70.N9.O4.F1.P1.S4.Br1.		7.0	853.3339	-1.4 mmu 
C27.H74.N5.O8.F1.P1.S4.Br1.		2.0	853.3325	-0.0 mmu 
C36.H71.N3.O2.F2.P1.S4.Br1.		11.0	853.3318	+0.7 mmu 
C33.H72.N3.O3.F3.P1.S4.Br1.		7.0	853.3330	-0.5 mmu 
C26.H69.N9.O2.F4.P1.S4.Br1.		4.0	853.3314	+1.1 mmu 
C30.H73.N3.O4.F4.P1.S4.Br1.		3.0	853.3341	-1.6 mmu 
C28.H72.N3.O2.F7.P1.S4.Br1.		0.0	853.3317	+0.8 mmu 
C40.H74.N1.O1.P2.S4.Br1.		15.0	853.3312	+1.3 mmu 
C25.H70.N13.O2.P2.S4.Br1.		8.0	853.3317	+0.8 mmu 
C28.H78.N3.O8.P2.S4.Br1.		2.0	853.3330	-0.5 mmu 
C37.H75.N1.O2.F1.P2.S4.Br1.		11.0	853.3323	+0.2 mmu 
C34.H76.N1.O3.F2.P2.S4.Br1.		7.0	853.3335	-1.0 mmu 
C27.H73.N7.O2.F3.P2.S4.Br1.		4.0	853.3319	+0.6 mmu 
C32.H75.N1.O1.F5.P2.S4.Br1.		4.0	853.3310	+1.5 mmu 
C29.H76.N1.O2.F6.P2.S4.Br1.		0.0	853.3322	+0.3 mmu 
C31.H76.N5.O1.F1.P3.S4.Br1.		8.0	853.3313	+1.2 mmu 
C28.H77.N5.O2.F2.P3.S4.Br1.		4.0	853.3324	+0.1 mmu 
C32.H80.N3.O1.P4.S4.Br1.		8.0	853.3318	+0.7 mmu 
C29.H81.N3.O2.F1.P4.S4.Br1.		4.0	853.3329	-0.4 mmu 
C30.H85.N1.O2.P5.S4.Br1.		4.0	853.3335	-1.0 mmu 
C28.H84.N1.F3.P5.S4.Br1.		1.0	853.3310	+1.5 mmu 
C26.H64.N17.S5.Br1.		13.0	853.3318	+0.7 mmu 
C29.H72.N7.O6.S5.Br1.		7.0	853.3331	-0.6 mmu 
C28.H76.N3.O10.S5.Br1.		2.0	853.3318	+0.7 mmu 
C38.H69.N5.F1.S5.Br1.		16.0	853.3324	+0.1 mmu 
C23.H65.N17.O1.F1.S5.Br1.		9.0	853.3329	-0.4 mmu 
C37.H73.N1.O4.F1.S5.Br1.		11.0	853.3311	+1.4 mmu 
C35.H70.N5.O1.F2.S5.Br1.		12.0	853.3335	-1.0 mmu 
C34.H74.N1.O5.F2.S5.Br1.		7.0	853.3322	+0.3 mmu 
C28.H67.N11.F3.S5.Br1.		9.0	853.3320	+0.5 mmu 
C31.H75.N1.O6.F3.S5.Br1.		3.0	853.3333	-0.8 mmu 
C25.H68.N11.O1.F4.S5.Br1.		5.0	853.3331	-0.6 mmu 
C24.H72.N7.O5.F4.S5.Br1.		0.0	853.3318	+0.7 mmu 
C30.H70.N5.F6.S5.Br1.		5.0	853.3322	+0.3 mmu 
C29.H74.N1.O4.F6.S5.Br1.		0.0	853.3309	+1.6 mmu 
C27.H71.N5.O1.F7.S5.Br1.		1.0	853.3334	-0.9 mmu 
C39.H73.N3.P1.S5.Br1.		16.0	853.3329	-0.4 mmu 
C24.H69.N15.O1.P1.S5.Br1.		9.0	853.3334	-0.9 mmu 
C36.H74.N3.O1.F1.P1.S5.Br1.		12.0	853.3340	-1.5 mmu 
C29.H71.N9.F2.P1.S5.Br1.		9.0	853.3325	-0.0 mmu 
C28.H75.N5.O4.F2.P1.S5.Br1.		4.0	853.3312	+1.3 mmu 
C26.H72.N9.O1.F3.P1.S5.Br1.		5.0	853.3336	-1.1 mmu 
C31.H74.N3.F5.P1.S5.Br1.		5.0	853.3327	-0.2 mmu 
C28.H75.N3.O1.F6.P1.S5.Br1.		1.0	853.3339	-1.4 mmu 
C30.H75.N7.F1.P2.S5.Br1.		9.0	853.3330	-0.5 mmu 
C29.H79.N3.O4.F1.P2.S5.Br1.		4.0	853.3317	+0.8 mmu 
C27.H76.N7.O1.F2.P2.S5.Br1.		5.0	853.3342	-1.7 mmu 
C32.H78.N1.F4.P2.S5.Br1.		5.0	853.3333	-0.8 mmu 
C31.H79.N5.P3.S5.Br1.		9.0	853.3335	-1.0 mmu 
C30.H83.N1.O4.P3.S5.Br1.		4.0	853.3322	+0.3 mmu 
C37.H76.N1.O3.S6.Br1.		12.0	853.3333	-0.8 mmu 
C30.H73.N7.O2.F1.S6.Br1.		9.0	853.3317	+0.8 mmu 
C27.H74.N7.O3.F2.S6.Br1.		5.0	853.3329	-0.4 mmu 
C26.H78.N3.O7.F2.S6.Br1.		0.0	853.3315	+1.0 mmu 
C35.H75.N1.O1.F3.S6.Br1.		9.0	853.3308	+1.7 mmu 
C32.H76.N1.O2.F4.S6.Br1.		5.0	853.3320	+0.5 mmu 
C29.H77.N1.O3.F5.S6.Br1.		1.0	853.3331	-0.6 mmu 
C31.H77.N5.O2.P1.S6.Br1.		9.0	853.3322	+0.3 mmu 
C30.H81.N1.O6.P1.S6.Br1.		4.0	853.3309	+1.6 mmu 
C28.H78.N5.O3.F1.P1.S6.Br1.		5.0	853.3334	-0.9 mmu 
C26.H77.N5.O1.F4.P1.S6.Br1.		2.0	853.3309	+1.6 mmu 
C29.H82.N3.O3.P2.S6.Br1.		5.0	853.3339	-1.4 mmu 
C27.H81.N3.O1.F3.P2.S6.Br1.		2.0	853.3315	+1.0 mmu 
C31.H84.N1.F1.P3.S6.Br1.		6.0	853.3308	+1.7 mmu 
C30.H76.N7.O1.S7.Br1.		10.0	853.3340	-1.5 mmu 
C29.H80.N3.O5.S7.Br1.		5.0	853.3326	-0.1 mmu 
C35.H78.N1.F2.S7.Br1.		10.0	853.3331	-0.6 mmu 
C30.H81.N3.O1.F1.S8.Br1.		7.0	853.3313	+1.2 mmu 
C31.H85.N1.O1.P1.S8.Br1.		7.0	853.3318	+0.7 mmu 
C30.H84.N3.S9.Br1.		8.0	853.3335	-1.0 mmu 
C28.H49.N23.O2.Cl1.Br1.		15.0	853.3311	+1.4 mmu 
C47.H57.N5.O3.Cl1.Br1.		21.0	853.3333	-0.8 mmu 
C32.H53.N17.O4.Cl1.Br1.		14.0	853.3338	-1.3 mmu 
C46.H61.N1.O7.Cl1.Br1.		16.0	853.3320	+0.5 mmu 
C31.H57.N13.O8.Cl1.Br1.		9.0	853.3325	+0.0 mmu 
C30.H61.N9.O12.Cl1.Br1.		4.0	853.3312	+1.3 mmu 
C34.H65.N3.O14.Cl1.Br1.		3.0	853.3338	-1.3 mmu 
C40.H54.N11.O2.F1.Cl1.Br1.		18.0	853.3318	+0.7 mmu 
C25.H50.N23.O3.F1.Cl1.Br1.		11.0	853.3323	+0.2 mmu 
C24.H54.N19.O7.F1.Cl1.Br1.		6.0	853.3310	+1.5 mmu 
C43.H62.N1.O8.F1.Cl1.Br1.		12.0	853.3331	-0.6 mmu 
C28.H58.N13.O9.F1.Cl1.Br1.		5.0	853.3336	-1.1 mmu 
C27.H62.N9.O13.F1.Cl1.Br1.		0.0	853.3323	+0.2 mmu 
C37.H55.N11.O3.F2.Cl1.Br1.		14.0	853.3329	-0.4 mmu 
C22.H51.N23.O4.F2.Cl1.Br1.		7.0	853.3334	-0.9 mmu 
C36.H59.N7.O7.F2.Cl1.Br1.		9.0	853.3316	+0.9 mmu 
C21.H55.N19.O8.F2.Cl1.Br1.		2.0	853.3321	+0.4 mmu 
C45.H56.N5.O1.F3.Cl1.Br1.		18.0	853.3309	+1.6 mmu 
C30.H52.N17.O2.F3.Cl1.Br1.		11.0	853.3314	+1.1 mmu 
C34.H56.N11.O4.F3.Cl1.Br1.		10.0	853.3341	-1.6 mmu 
C33.H60.N7.O8.F3.Cl1.Br1.		5.0	853.3327	-0.2 mmu 
C32.H64.N3.O12.F3.Cl1.Br1.		0.0	853.3314	+1.1 mmu 
C42.H57.N5.O2.F4.Cl1.Br1.		14.0	853.3320	+0.5 mmu 
C27.H53.N17.O3.F4.Cl1.Br1.		7.0	853.3325	-0.0 mmu 
C26.H57.N13.O7.F4.Cl1.Br1.		2.0	853.3312	+1.3 mmu 
C30.H61.N7.O9.F4.Cl1.Br1.		1.0	853.3339	-1.4 mmu 
C20.H50.N23.O2.F5.Cl1.Br1.		4.0	853.3310	+1.5 mmu 
C39.H58.N5.O3.F5.Cl1.Br1.		10.0	853.3332	-0.7 mmu 
C24.H54.N17.O4.F5.Cl1.Br1.		3.0	853.3337	-1.2 mmu 
C38.H62.N1.O7.F5.Cl1.Br1.		5.0	853.3318	+0.7 mmu 
C32.H55.N11.O2.F6.Cl1.Br1.		7.0	853.3316	+0.9 mmu 
C17.H51.N23.O3.F6.Cl1.Br1.		0.0	853.3321	+0.4 mmu 
C35.H63.N1.O8.F6.Cl1.Br1.		1.0	853.3330	-0.5 mmu 
C29.H56.N11.O3.F7.Cl1.Br1.		3.0	853.3328	-0.3 mmu 
C22.H53.N17.O2.F8.Cl1.Br1.		0.0	853.3312	+1.3 mmu 
C34.H58.N5.O2.F9.Cl1.Br1.		3.0	853.3319	+0.6 mmu 
C41.H58.N9.O2.P1.Cl1.Br1.		18.0	853.3323	+0.2 mmu 
C26.H54.N21.O3.P1.Cl1.Br1.		11.0	853.3328	-0.3 mmu 
C40.H62.N5.O6.P1.Cl1.Br1.		13.0	853.3310	+1.5 mmu 
C25.H58.N17.O7.P1.Cl1.Br1.		6.0	853.3315	+1.0 mmu 
C29.H62.N11.O9.P1.Cl1.Br1.		5.0	853.3341	-1.6 mmu 
C28.H66.N7.O13.P1.Cl1.Br1.		0.0	853.3328	-0.3 mmu 
C38.H59.N9.O3.F1.P1.Cl1.Br1.		14.0	853.3334	-0.9 mmu 
C23.H55.N21.O4.F1.P1.Cl1.Br1.		7.0	853.3339	-1.4 mmu 
C37.H63.N5.O7.F1.P1.Cl1.Br1.		9.0	853.3321	+0.4 mmu 
C22.H59.N17.O8.F1.P1.Cl1.Br1.		2.0	853.3326	-0.1 mmu 
C46.H60.N3.O1.F2.P1.Cl1.Br1.		18.0	853.3314	+1.1 mmu 
C31.H56.N15.O2.F2.P1.Cl1.Br1.		11.0	853.3319	+0.6 mmu 
C34.H64.N5.O8.F2.P1.Cl1.Br1.		5.0	853.3332	-0.7 mmu 
C33.H68.N1.O12.F2.P1.Cl1.Br1.		0.0	853.3319	+0.6 mmu 
C43.H61.N3.O2.F3.P1.Cl1.Br1.		14.0	853.3325	-0.0 mmu 
C28.H57.N15.O3.F3.P1.Cl1.Br1.		7.0	853.3330	-0.5 mmu 
C27.H61.N11.O7.F3.P1.Cl1.Br1.		2.0	853.3317	+0.8 mmu 
C36.H58.N9.O1.F4.P1.Cl1.Br1.		11.0	853.3310	+1.5 mmu 
C21.H54.N21.O2.F4.P1.Cl1.Br1.		4.0	853.3315	+1.0 mmu 
C40.H62.N3.O3.F4.P1.Cl1.Br1.		10.0	853.3337	-1.2 mmu 
C25.H58.N15.O4.F4.P1.Cl1.Br1.		3.0	853.3342	-1.7 mmu 
C33.H59.N9.O2.F5.P1.Cl1.Br1.		7.0	853.3321	+0.4 mmu 
C32.H63.N5.O6.F5.P1.Cl1.Br1.		2.0	853.3308	+1.7 mmu 
C30.H60.N9.O3.F6.P1.Cl1.Br1.		3.0	853.3333	-0.8 mmu 
C38.H61.N3.O1.F7.P1.Cl1.Br1.		7.0	853.3312	+1.3 mmu 
C23.H57.N15.O2.F7.P1.Cl1.Br1.		0.0	853.3317	+0.8 mmu 
C35.H62.N3.O2.F8.P1.Cl1.Br1.		3.0	853.3324	+0.1 mmu 
C28.H59.N9.O1.F9.P1.Cl1.Br1.		0.0	853.3308	+1.7 mmu 
C35.H59.N13.O1.P2.Cl1.Br1.		15.0	853.3313	+1.2 mmu 
C20.H55.N25.O2.P2.Cl1.Br1.		8.0	853.3318	+0.7 mmu 
C39.H63.N7.O3.P2.Cl1.Br1.		14.0	853.3340	-1.5 mmu 
C38.H67.N3.O7.P2.Cl1.Br1.		9.0	853.3326	-0.1 mmu 
C23.H63.N15.O8.P2.Cl1.Br1.		2.0	853.3331	-0.6 mmu 
C47.H64.N1.O1.F1.P2.Cl1.Br1.		18.0	853.3319	+0.6 mmu 
C32.H60.N13.O2.F1.P2.Cl1.Br1.		11.0	853.3324	+0.1 mmu 
C31.H64.N9.O6.F1.P2.Cl1.Br1.		6.0	853.3311	+1.4 mmu 
C35.H68.N3.O8.F1.P2.Cl1.Br1.		5.0	853.3338	-1.3 mmu 
C25.H57.N19.O1.F2.P2.Cl1.Br1.		8.0	853.3309	+1.6 mmu 
C44.H65.N1.O2.F2.P2.Cl1.Br1.		14.0	853.3331	-0.6 mmu 
C29.H61.N13.O3.F2.P2.Cl1.Br1.		7.0	853.3336	-1.1 mmu 
C28.H65.N9.O7.F2.P2.Cl1.Br1.		2.0	853.3322	+0.3 mmu 
C37.H62.N7.O1.F3.P2.Cl1.Br1.		11.0	853.3315	+1.0 mmu 
C22.H58.N19.O2.F3.P2.Cl1.Br1.		4.0	853.3320	+0.5 mmu 
C41.H66.N1.O3.F3.P2.Cl1.Br1.		10.0	853.3342	-1.7 mmu 
C34.H63.N7.O2.F4.P2.Cl1.Br1.		7.0	853.3327	-0.2 mmu 
C33.H67.N3.O6.F4.P2.Cl1.Br1.		2.0	853.3313	+1.2 mmu 
C27.H60.N13.O1.F5.P2.Cl1.Br1.		4.0	853.3311	+1.4 mmu 
C31.H64.N7.O3.F5.P2.Cl1.Br1.		3.0	853.3338	-1.3 mmu 
C39.H65.N1.O1.F6.P2.Cl1.Br1.		7.0	853.3317	+0.8 mmu 
C24.H61.N13.O2.F6.P2.Cl1.Br1.		0.0	853.3323	+0.2 mmu 
C36.H66.N1.O2.F7.P2.Cl1.Br1.		3.0	853.3329	-0.4 mmu 
C29.H63.N7.O1.F8.P2.Cl1.Br1.		0.0	853.3313	+1.2 mmu 
C33.H64.N11.O2.P3.Cl1.Br1.		11.0	853.3329	-0.4 mmu 
C32.H68.N7.O6.P3.Cl1.Br1.		6.0	853.3316	+0.9 mmu 
C41.H65.N5.F1.P3.Cl1.Br1.		15.0	853.3309	+1.6 mmu 
C26.H61.N17.O1.F1.P3.Cl1.Br1.		8.0	853.3314	+1.1 mmu 
C30.H65.N11.O3.F1.P3.Cl1.Br1.		7.0	853.3341	-1.6 mmu 
C29.H69.N7.O7.F1.P3.Cl1.Br1.		2.0	853.3327	-0.2 mmu 
C38.H66.N5.O1.F2.P3.Cl1.Br1.		11.0	853.3320	+0.5 mmu 
C23.H62.N17.O2.F2.P3.Cl1.Br1.		4.0	853.3325	-0.0 mmu 
C35.H67.N5.O2.F3.P3.Cl1.Br1.		7.0	853.3332	-0.7 mmu 
C34.H71.N1.O6.F3.P3.Cl1.Br1.		2.0	853.3318	+0.7 mmu 
C28.H64.N11.O1.F4.P3.Cl1.Br1.		4.0	853.3316	+0.9 mmu 
C25.H65.N11.O2.F5.P3.Cl1.Br1.		0.0	853.3328	-0.3 mmu 
C30.H67.N5.O1.F7.P3.Cl1.Br1.		0.0	853.3319	+0.6 mmu 
C42.H69.N3.P4.Cl1.Br1.		15.0	853.3314	+1.1 mmu 
C27.H65.N15.O1.P4.Cl1.Br1.		8.0	853.3319	+0.6 mmu 
C30.H73.N5.O7.P4.Cl1.Br1.		2.0	853.3332	-0.7 mmu 
C39.H70.N3.O1.F1.P4.Cl1.Br1.		11.0	853.3325	-0.0 mmu 
C24.H66.N15.O2.F1.P4.Cl1.Br1.		4.0	853.3330	-0.5 mmu 
C32.H67.N9.F2.P4.Cl1.Br1.		8.0	853.3310	+1.5 mmu 
C36.H71.N3.O2.F2.P4.Cl1.Br1.		7.0	853.3337	-1.2 mmu 
C29.H68.N9.O1.F3.P4.Cl1.Br1.		4.0	853.3321	+0.4 mmu 
C26.H69.N9.O2.F4.P4.Cl1.Br1.		0.0	853.3333	-0.8 mmu 
C34.H70.N3.F5.P4.Cl1.Br1.		4.0	853.3312	+1.3 mmu 
C31.H71.N3.O1.F6.P4.Cl1.Br1.		0.0	853.3324	+0.1 mmu 
C40.H74.N1.O1.P5.Cl1.Br1.		11.0	853.3330	-0.5 mmu 
C25.H70.N13.O2.P5.Cl1.Br1.		4.0	853.3335	-1.0 mmu 
C33.H71.N7.F1.P5.Cl1.Br1.		8.0	853.3315	+1.0 mmu 
C37.H75.N1.O2.F1.P5.Cl1.Br1.		7.0	853.3342	-1.7 mmu 
C30.H72.N7.O1.F2.P5.Cl1.Br1.		4.0	853.3326	-0.1 mmu 
C23.H69.N13.F3.P5.Cl1.Br1.		1.0	853.3311	+1.4 mmu 
C27.H73.N7.O2.F3.P5.Cl1.Br1.		0.0	853.3338	-1.3 mmu 
C35.H74.N1.F4.P5.Cl1.Br1.		4.0	853.3317	+0.8 mmu 
C32.H75.N1.O1.F5.P5.Cl1.Br1.		0.0	853.3329	-0.4 mmu 
C34.H75.N5.P6.Cl1.Br1.		8.0	853.3320	+0.5 mmu 
C31.H76.N5.O1.F1.P6.Cl1.Br1.		4.0	853.3331	-0.6 mmu 
C32.H80.N3.O1.P7.Cl1.Br1.		4.0	853.3337	-1.2 mmu 
C40.H57.N11.O1.S1.Cl1.Br1.		19.0	853.3340	-1.5 mmu 
C39.H61.N7.O5.S1.Cl1.Br1.		14.0	853.3327	-0.2 mmu 
C24.H57.N19.O6.S1.Cl1.Br1.		7.0	853.3332	-0.7 mmu 
C38.H65.N3.O9.S1.Cl1.Br1.		9.0	853.3313	+1.2 mmu 
C23.H61.N15.O10.S1.Cl1.Br1.		2.0	853.3318	+0.7 mmu 
C33.H54.N17.F1.S1.Cl1.Br1.		16.0	853.3325	+0.0 mmu 
C32.H58.N13.O4.F1.S1.Cl1.Br1.		11.0	853.3311	+1.4 mmu 
C36.H62.N7.O6.F1.S1.Cl1.Br1.		10.0	853.3338	-1.3 mmu 
C35.H66.N3.O10.F1.S1.Cl1.Br1.		5.0	853.3325	+0.0 mmu 
C45.H59.N5.F2.S1.Cl1.Br1.		19.0	853.3331	-0.6 mmu 
C30.H55.N17.O1.F2.S1.Cl1.Br1.		12.0	853.3336	-1.1 mmu 
C44.H63.N1.O4.F2.S1.Cl1.Br1.		14.0	853.3318	+0.7 mmu 
C29.H59.N13.O5.F2.S1.Cl1.Br1.		7.0	853.3323	+0.2 mmu 
C28.H63.N9.O9.F2.S1.Cl1.Br1.		2.0	853.3309	+1.6 mmu 
C32.H67.N3.O11.F2.S1.Cl1.Br1.		1.0	853.3336	-1.1 mmu 
C23.H52.N23.F3.S1.Cl1.Br1.		9.0	853.3321	+0.4 mmu 
C41.H64.N1.O5.F3.S1.Cl1.Br1.		10.0	853.3329	-0.4 mmu 
C26.H60.N13.O6.F3.S1.Cl1.Br1.		3.0	853.3334	-0.9 mmu 
C35.H57.N11.F4.S1.Cl1.Br1.		12.0	853.3327	-0.2 mmu 
C20.H53.N23.O1.F4.S1.Cl1.Br1.		5.0	853.3332	-0.7 mmu 
C34.H61.N7.O4.F4.S1.Cl1.Br1.		7.0	853.3314	+1.1 mmu 
C19.H57.N19.O5.F4.S1.Cl1.Br1.		0.0	853.3319	+0.6 mmu 
C38.H65.N1.O6.F4.S1.Cl1.Br1.		6.0	853.3341	-1.6 mmu 
C32.H58.N11.O1.F5.S1.Cl1.Br1.		8.0	853.3339	-1.4 mmu 
C31.H62.N7.O5.F5.S1.Cl1.Br1.		3.0	853.3325	-0.0 mmu 
C25.H55.N17.F6.S1.Cl1.Br1.		5.0	853.3323	+0.2 mmu 
C24.H59.N13.O4.F6.S1.Cl1.Br1.		0.0	853.3310	+1.5 mmu 
C37.H60.N5.F7.S1.Cl1.Br1.		8.0	853.3330	-0.5 mmu 
C22.H56.N17.O1.F7.S1.Cl1.Br1.		1.0	853.3335	-1.0 mmu 
C36.H64.N1.O4.F7.S1.Cl1.Br1.		3.0	853.3316	+0.9 mmu 
C34.H61.N5.O1.F8.S1.Cl1.Br1.		4.0	853.3341	-1.6 mmu 
C27.H58.N11.F9.S1.Cl1.Br1.		1.0	853.3326	-0.1 mmu 
C34.H58.N15.P1.S1.Cl1.Br1.		16.0	853.3330	-0.5 mmu 
C33.H62.N11.O4.P1.S1.Cl1.Br1.		11.0	853.3316	+0.9 mmu 
C36.H70.N1.O10.P1.S1.Cl1.Br1.		5.0	853.3330	-0.5 mmu 
C46.H63.N3.F1.P1.S1.Cl1.Br1.		19.0	853.3336	-1.1 mmu 
C31.H59.N15.O1.F1.P1.S1.Cl1.Br1.		12.0	853.3341	-1.6 mmu 
C30.H63.N11.O5.F1.P1.S1.Cl1.Br1.		7.0	853.3328	-0.3 mmu 
C29.H67.N7.O9.F1.P1.S1.Cl1.Br1.		2.0	853.3315	+1.0 mmu 
C33.H71.N1.O11.F1.P1.S1.Cl1.Br1.		1.0	853.3341	-1.6 mmu 
C24.H56.N21.F2.P1.S1.Cl1.Br1.		9.0	853.3326	-0.1 mmu 
C23.H60.N17.O4.F2.P1.S1.Cl1.Br1.		4.0	853.3312	+1.3 mmu 
C27.H64.N11.O6.F2.P1.S1.Cl1.Br1.		3.0	853.3339	-1.4 mmu 
C36.H61.N9.F3.P1.S1.Cl1.Br1.		12.0	853.3332	-0.7 mmu 
C21.H57.N21.O1.F3.P1.S1.Cl1.Br1.		5.0	853.3337	-1.2 mmu 
C35.H65.N5.O4.F3.P1.S1.Cl1.Br1.		7.0	853.3319	+0.6 mmu 
C32.H66.N5.O5.F4.P1.S1.Cl1.Br1.		3.0	853.3330	-0.5 mmu 
C26.H59.N15.F5.P1.S1.Cl1.Br1.		5.0	853.3328	-0.3 mmu 
C25.H63.N11.O4.F5.P1.S1.Cl1.Br1.		0.0	853.3315	+1.0 mmu 
C38.H64.N3.F6.P1.S1.Cl1.Br1.		8.0	853.3335	-1.0 mmu 
C23.H60.N15.O1.F6.P1.S1.Cl1.Br1.		1.0	853.3340	-1.5 mmu 
C28.H62.N9.F8.P1.S1.Cl1.Br1.		1.0	853.3331	-0.6 mmu 
C47.H67.N1.P2.S1.Cl1.Br1.		19.0	853.3341	-1.6 mmu 
C31.H67.N9.O5.P2.S1.Cl1.Br1.		7.0	853.3333	-0.8 mmu 
C30.H71.N5.O9.P2.S1.Cl1.Br1.		2.0	853.3320	+0.5 mmu 
C25.H60.N19.F1.P2.S1.Cl1.Br1.		9.0	853.3331	-0.6 mmu 
C39.H68.N3.O3.F1.P2.S1.Cl1.Br1.		11.0	853.3313	+1.2 mmu 
C24.H64.N15.O4.F1.P2.S1.Cl1.Br1.		4.0	853.3318	+0.7 mmu 
C37.H65.N7.F2.P2.S1.Cl1.Br1.		12.0	853.3337	-1.2 mmu 
C36.H69.N3.O4.F2.P2.S1.Cl1.Br1.		7.0	853.3324	+0.1 mmu 
C29.H66.N9.O3.F3.P2.S1.Cl1.Br1.		4.0	853.3309	+1.6 mmu 
C33.H70.N3.O5.F3.P2.S1.Cl1.Br1.		3.0	853.3335	-1.0 mmu 
C27.H63.N13.F4.P2.S1.Cl1.Br1.		5.0	853.3333	-0.8 mmu 
C26.H67.N9.O4.F4.P2.S1.Cl1.Br1.		0.0	853.3320	+0.5 mmu 
C39.H68.N1.F5.P2.S1.Cl1.Br1.		8.0	853.3340	-1.5 mmu 
C31.H69.N3.O3.F6.P2.S1.Cl1.Br1.		0.0	853.3311	+1.4 mmu 
C29.H66.N7.F7.P2.S1.Cl1.Br1.		1.0	853.3336	-1.1 mmu 
C26.H64.N17.P3.S1.Cl1.Br1.		9.0	853.3336	-1.1 mmu 
C40.H72.N1.O3.P3.S1.Cl1.Br1.		11.0	853.3318	+0.7 mmu 
C25.H68.N13.O4.P3.S1.Cl1.Br1.		4.0	853.3323	+0.2 mmu 
C37.H73.N1.O4.F1.P3.S1.Cl1.Br1.		7.0	853.3329	-0.4 mmu 
C30.H70.N7.O3.F2.P3.S1.Cl1.Br1.		4.0	853.3314	+1.1 mmu 
C34.H74.N1.O5.F2.P3.S1.Cl1.Br1.		3.0	853.3341	-1.6 mmu 
C28.H67.N11.F3.P3.S1.Cl1.Br1.		5.0	853.3338	-1.3 mmu 
C27.H71.N7.O4.F3.P3.S1.Cl1.Br1.		0.0	853.3325	-0.0 mmu 
C32.H73.N1.O3.F5.P3.S1.Cl1.Br1.		0.0	853.3316	+0.9 mmu 
C30.H70.N5.F6.P3.S1.Cl1.Br1.		1.0	853.3341	-1.6 mmu 
C31.H74.N5.O3.F1.P4.S1.Cl1.Br1.		4.0	853.3319	+0.6 mmu 
C28.H75.N5.O4.F2.P4.S1.Cl1.Br1.		0.0	853.3330	-0.5 mmu 
C32.H78.N3.O3.P5.S1.Cl1.Br1.		4.0	853.3324	+0.1 mmu 
C25.H75.N9.O2.F1.P5.S1.Cl1.Br1.		1.0	853.3308	+1.7 mmu 
C29.H79.N3.O4.F1.P5.S1.Cl1.Br1.		0.0	853.3335	-1.0 mmu 
C30.H83.N1.O4.P6.S1.Cl1.Br1.		0.0	853.3340	-1.5 mmu 
C47.H65.N1.O2.S2.Cl1.Br1.		19.0	853.3329	-0.4 mmu 
C32.H61.N13.O3.S2.Cl1.Br1.		12.0	853.3334	-0.9 mmu 
C31.H65.N9.O7.S2.Cl1.Br1.		7.0	853.3320	+0.5 mmu 
C40.H62.N7.O1.F1.S2.Cl1.Br1.		16.0	853.3313	+1.2 mmu 
C25.H58.N19.O2.F1.S2.Cl1.Br1.		9.0	853.3318	+0.7 mmu 
C44.H66.N1.O3.F1.S2.Cl1.Br1.		15.0	853.3340	-1.5 mmu 
C28.H66.N9.O8.F1.S2.Cl1.Br1.		3.0	853.3332	-0.7 mmu 
C37.H63.N7.O2.F2.S2.Cl1.Br1.		12.0	853.3325	+0.0 mmu 
C22.H59.N19.O3.F2.S2.Cl1.Br1.		5.0	853.3330	-0.5 mmu 
C36.H67.N3.O6.F2.S2.Cl1.Br1.		7.0	853.3311	+1.4 mmu 
C21.H63.N15.O7.F2.S2.Cl1.Br1.		0.0	853.3316	+0.9 mmu 
C30.H60.N13.O1.F3.S2.Cl1.Br1.		9.0	853.3309	+1.6 mmu 
C34.H64.N7.O3.F3.S2.Cl1.Br1.		8.0	853.3336	-1.1 mmu 
C33.H68.N3.O7.F3.S2.Cl1.Br1.		3.0	853.3323	+0.2 mmu 
C42.H65.N1.O1.F4.S2.Cl1.Br1.		12.0	853.3316	+0.9 mmu 
C27.H61.N13.O2.F4.S2.Cl1.Br1.		5.0	853.3321	+0.4 mmu 
C39.H66.N1.O2.F5.S2.Cl1.Br1.		8.0	853.3327	-0.2 mmu 
C24.H62.N13.O3.F5.S2.Cl1.Br1.		1.0	853.3332	-0.7 mmu 
C32.H63.N7.O1.F6.S2.Cl1.Br1.		5.0	853.3312	+1.3 mmu 
C36.H67.N1.O3.F6.S2.Cl1.Br1.		4.0	853.3338	-1.3 mmu 
C29.H64.N7.O2.F7.S2.Cl1.Br1.		1.0	853.3323	+0.2 mmu 
C34.H66.N1.O1.F9.S2.Cl1.Br1.		1.0	853.3314	+1.1 mmu 
C41.H66.N5.O1.P1.S2.Cl1.Br1.		16.0	853.3318	+0.7 mmu 
C26.H62.N17.O2.P1.S2.Cl1.Br1.		9.0	853.3323	+0.2 mmu 
C25.H66.N13.O6.P1.S2.Cl1.Br1.		4.0	853.3310	+1.5 mmu 
C29.H70.N7.O8.P1.S2.Cl1.Br1.		3.0	853.3337	-1.2 mmu 
C38.H67.N5.O2.F1.P1.S2.Cl1.Br1.		12.0	853.3330	-0.5 mmu 
C23.H63.N17.O3.F1.P1.S2.Cl1.Br1.		5.0	853.3335	-1.0 mmu 
C37.H71.N1.O6.F1.P1.S2.Cl1.Br1.		7.0	853.3316	+0.9 mmu 
C31.H64.N11.O1.F2.P1.S2.Cl1.Br1.		9.0	853.3314	+1.1 mmu 
C35.H68.N5.O3.F2.P1.S2.Cl1.Br1.		8.0	853.3341	-1.6 mmu 
C34.H72.N1.O7.F2.P1.S2.Cl1.Br1.		3.0	853.3328	-0.3 mmu 
C28.H65.N11.O2.F3.P1.S2.Cl1.Br1.		5.0	853.3326	-0.1 mmu 
C27.H69.N7.O6.F3.P1.S2.Cl1.Br1.		0.0	853.3312	+1.3 mmu 
C21.H62.N17.O1.F4.P1.S2.Cl1.Br1.		2.0	853.3310	+1.5 mmu 
C25.H66.N11.O3.F4.P1.S2.Cl1.Br1.		1.0	853.3337	-1.2 mmu 
C33.H67.N5.O1.F5.P1.S2.Cl1.Br1.		5.0	853.3317	+0.8 mmu 
C30.H68.N5.O2.F6.P1.S2.Cl1.Br1.		1.0	853.3328	-0.3 mmu 
C35.H67.N9.P2.S2.Cl1.Br1.		13.0	853.3308	+1.7 mmu 
C39.H71.N3.O2.P2.S2.Cl1.Br1.		12.0	853.3335	-1.0 mmu 
C24.H67.N15.O3.P2.S2.Cl1.Br1.		5.0	853.3340	-1.5 mmu 
C32.H68.N9.O1.F1.P2.S2.Cl1.Br1.		9.0	853.3319	+0.6 mmu 
C29.H69.N9.O2.F2.P2.S2.Cl1.Br1.		5.0	853.3331	-0.6 mmu 
C28.H73.N5.O6.F2.P2.S2.Cl1.Br1.		0.0	853.3317	+0.8 mmu 
C37.H70.N3.F3.P2.S2.Cl1.Br1.		9.0	853.3310	+1.5 mmu 
C22.H66.N15.O1.F3.P2.S2.Cl1.Br1.		2.0	853.3315	+1.0 mmu 
C34.H71.N3.O1.F4.P2.S2.Cl1.Br1.		5.0	853.3322	+0.3 mmu 
C31.H72.N3.O2.F5.P2.S2.Cl1.Br1.		1.0	853.3333	-0.8 mmu 
C33.H72.N7.O1.P3.S2.Cl1.Br1.		9.0	853.3325	+0.0 mmu 
C32.H76.N3.O5.P3.S2.Cl1.Br1.		4.0	853.3311	+1.4 mmu 
C26.H69.N13.F1.P3.S2.Cl1.Br1.		6.0	853.3309	+1.6 mmu 
C30.H73.N7.O2.F1.P3.S2.Cl1.Br1.		5.0	853.3336	-1.1 mmu 
C29.H77.N3.O6.F1.P3.S2.Cl1.Br1.		0.0	853.3323	+0.2 mmu 
C38.H74.N1.F2.P3.S2.Cl1.Br1.		9.0	853.3315	+1.0 mmu 
C35.H75.N1.O1.F3.P3.S2.Cl1.Br1.		5.0	853.3327	-0.2 mmu 
C28.H72.N7.F4.P3.S2.Cl1.Br1.		2.0	853.3311	+1.4 mmu 
C32.H76.N1.O2.F4.P3.S2.Cl1.Br1.		1.0	853.3338	-1.3 mmu 
C27.H73.N11.P4.S2.Cl1.Br1.		6.0	853.3314	+1.1 mmu 
C31.H77.N5.O2.P4.S2.Cl1.Br1.		5.0	853.3341	-1.6 mmu 
C30.H81.N1.O6.P4.S2.Cl1.Br1.		0.0	853.3328	-0.3 mmu 
C29.H76.N5.F3.P4.S2.Cl1.Br1.		2.0	853.3317	+0.8 mmu 
C30.H80.N3.F2.P5.S2.Cl1.Br1.		2.0	853.3322	+0.3 mmu 
C31.H84.N1.F1.P6.S2.Cl1.Br1.		2.0	853.3327	-0.2 mmu 
C40.H65.N7.S3.Cl1.Br1.		17.0	853.3335	-1.0 mmu 
C25.H61.N19.O1.S3.Cl1.Br1.		10.0	853.3341	-1.6 mmu 
C39.H69.N3.O4.S3.Cl1.Br1.		12.0	853.3322	+0.3 mmu 
C24.H65.N15.O5.S3.Cl1.Br1.		5.0	853.3327	-0.2 mmu 
C23.H69.N11.O9.S3.Cl1.Br1.		0.0	853.3314	+1.1 mmu 
C36.H70.N3.O5.F1.S3.Cl1.Br1.		8.0	853.3334	-0.9 mmu 
C30.H63.N13.F2.S3.Cl1.Br1.		10.0	853.3331	-0.6 mmu 
C29.H67.N9.O4.F2.S3.Cl1.Br1.		5.0	853.3318	+0.7 mmu 
C42.H68.N1.F3.S3.Cl1.Br1.		13.0	853.3338	-1.3 mmu 
C26.H68.N9.O5.F3.S3.Cl1.Br1.		1.0	853.3330	-0.5 mmu 
C34.H69.N3.O3.F4.S3.Cl1.Br1.		5.0	853.3309	+1.6 mmu 
C32.H66.N7.F5.S3.Cl1.Br1.		6.0	853.3334	-0.9 mmu 
C31.H70.N3.O4.F5.S3.Cl1.Br1.		1.0	853.3321	+0.4 mmu 
C34.H69.N1.F8.S3.Cl1.Br1.		2.0	853.3336	-1.1 mmu 
C33.H70.N7.O3.P1.S3.Cl1.Br1.		9.0	853.3312	+1.3 mmu 
C37.H74.N1.O5.P1.S3.Cl1.Br1.		8.0	853.3339	-1.4 mmu 
C31.H67.N11.F1.P1.S3.Cl1.Br1.		10.0	853.3337	-1.2 mmu 
C30.H71.N7.O4.F1.P1.S3.Cl1.Br1.		5.0	853.3323	+0.2 mmu 
C29.H75.N3.O8.F1.P1.S3.Cl1.Br1.		0.0	853.3310	+1.5 mmu 
C27.H72.N7.O5.F2.P1.S3.Cl1.Br1.		1.0	853.3335	-1.0 mmu 
C35.H73.N1.O3.F3.P1.S3.Cl1.Br1.		5.0	853.3314	+1.1 mmu 
C33.H70.N5.F4.P1.S3.Cl1.Br1.		6.0	853.3339	-1.4 mmu 
C32.H74.N1.O4.F4.P1.S3.Cl1.Br1.		1.0	853.3326	-0.1 mmu 
C32.H71.N9.P2.S3.Cl1.Br1.		10.0	853.3342	-1.7 mmu 
C31.H75.N5.O4.P2.S3.Cl1.Br1.		5.0	853.3328	-0.3 mmu 
C30.H79.N1.O8.P2.S3.Cl1.Br1.		0.0	853.3315	+1.0 mmu 
C24.H72.N11.O3.F1.P2.S3.Cl1.Br1.		2.0	853.3313	+1.2 mmu 
C28.H76.N5.O5.F1.P2.S3.Cl1.Br1.		1.0	853.3340	-1.5 mmu 
C30.H78.N3.O2.F2.P3.S3.Cl1.Br1.		2.0	853.3309	+1.6 mmu 
C31.H82.N1.O2.F1.P4.S3.Cl1.Br1.		2.0	853.3314	+1.1 mmu 
C32.H69.N9.O2.S4.Cl1.Br1.		10.0	853.3329	-0.4 mmu 
C31.H73.N5.O6.S4.Cl1.Br1.		5.0	853.3316	+0.9 mmu 
C40.H70.N3.F1.S4.Cl1.Br1.		14.0	853.3309	+1.6 mmu 
C25.H66.N15.O1.F1.S4.Cl1.Br1.		7.0	853.3314	+1.1 mmu 
C29.H70.N9.O3.F1.S4.Cl1.Br1.		6.0	853.3340	-1.5 mmu 
C28.H74.N5.O7.F1.S4.Cl1.Br1.		1.0	853.3327	-0.2 mmu 
C37.H71.N3.O1.F2.S4.Cl1.Br1.		10.0	853.3320	+0.5 mmu 
C34.H72.N3.O2.F3.S4.Cl1.Br1.		6.0	853.3331	-0.6 mmu 
C27.H69.N9.O1.F4.S4.Cl1.Br1.		3.0	853.3316	+0.9 mmu 
C41.H74.N1.P1.S4.Cl1.Br1.		14.0	853.3314	+1.1 mmu 
C26.H70.N13.O1.P1.S4.Cl1.Br1.		7.0	853.3319	+0.6 mmu 
C29.H78.N3.O7.P1.S4.Cl1.Br1.		1.0	853.3332	-0.7 mmu 
C38.H75.N1.O1.F1.P1.S4.Cl1.Br1.		10.0	853.3325	-0.0 mmu 
C31.H72.N7.F2.P1.S4.Cl1.Br1.		7.0	853.3310	+1.5 mmu 
C35.H76.N1.O2.F2.P1.S4.Cl1.Br1.		6.0	853.3336	-1.1 mmu 
C28.H73.N7.O1.F3.P1.S4.Cl1.Br1.		3.0	853.3321	+0.4 mmu 
C33.H75.N1.F5.P1.S4.Cl1.Br1.		3.0	853.3312	+1.3 mmu 
C32.H76.N5.F1.P2.S4.Cl1.Br1.		7.0	853.3315	+1.0 mmu 
C29.H77.N5.O1.F2.P2.S4.Cl1.Br1.		3.0	853.3326	-0.1 mmu 
C33.H80.N3.P3.S4.Cl1.Br1.		7.0	853.3320	+0.5 mmu 
C30.H81.N3.O1.F1.P3.S4.Cl1.Br1.		3.0	853.3331	-0.6 mmu 
C31.H85.N1.O1.P4.S4.Cl1.Br1.		3.0	853.3336	-1.1 mmu 
C25.H69.N15.S5.Cl1.Br1.		8.0	853.3336	-1.1 mmu 
C29.H75.N5.O3.F2.S5.Cl1.Br1.		3.0	853.3313	+1.2 mmu 
C27.H72.N9.F3.S5.Cl1.Br1.		4.0	853.3338	-1.3 mmu 
C29.H75.N3.F6.S5.Cl1.Br1.		0.0	853.3341	-1.6 mmu 
C30.H79.N3.O3.F1.P1.S5.Cl1.Br1.		3.0	853.3319	+0.6 mmu 
C31.H83.N1.O3.P2.S5.Cl1.Br1.		3.0	853.3324	+0.1 mmu 
C32.H77.N5.O1.S6.Cl1.Br1.		8.0	853.3324	+0.1 mmu 
C31.H81.N1.O5.S6.Cl1.Br1.		3.0	853.3311	+1.4 mmu 
C25.H74.N11.F1.S6.Cl1.Br1.		5.0	853.3309	+1.6 mmu 
C29.H78.N5.O2.F1.S6.Cl1.Br1.		4.0	853.3336	-1.1 mmu 
C27.H77.N5.F4.S6.Cl1.Br1.		1.0	853.3311	+1.4 mmu 
C26.H78.N9.P1.S6.Cl1.Br1.		5.0	853.3314	+1.1 mmu 
C30.H82.N3.O2.P1.S6.Cl1.Br1.		4.0	853.3341	-1.6 mmu 
C28.H81.N3.F3.P1.S6.Cl1.Br1.		1.0	853.3316	+0.9 mmu 
C29.H85.N1.F2.P2.S6.Cl1.Br1.		1.0	853.3321	+0.4 mmu 
C29.H83.N1.O2.F2.S7.Cl1.Br1.		1.0	853.3309	+1.6 mmu 
C32.H85.N1.S8.Cl1.Br1.		6.0	853.3320	+0.5 mmu 
C29.H86.N1.O1.F1.S8.Cl1.Br1.		2.0	853.3331	-0.6 mmu 
C42.H58.N9.O1.Cl2.Br1.		17.0	853.3325	+0.0 mmu 
C27.H54.N21.O2.Cl2.Br1.		10.0	853.3330	-0.5 mmu 
C41.H62.N5.O5.Cl2.Br1.		12.0	853.3311	+1.4 mmu 
C26.H58.N17.O6.Cl2.Br1.		5.0	853.3316	+0.9 mmu 
C35.H55.N15.F1.Cl2.Br1.		14.0	853.3309	+1.6 mmu 
C39.H59.N9.O2.F1.Cl2.Br1.		13.0	853.3336	-1.1 mmu 
C24.H55.N21.O3.F1.Cl2.Br1.		6.0	853.3341	-1.6 mmu 
C38.H63.N5.O6.F1.Cl2.Br1.		8.0	853.3323	+0.2 mmu 
C23.H59.N17.O7.F1.Cl2.Br1.		1.0	853.3328	-0.3 mmu 
C37.H67.N1.O10.F1.Cl2.Br1.		3.0	853.3309	+1.6 mmu 
C47.H60.N3.F2.Cl2.Br1.		17.0	853.3316	+0.9 mmu 
C32.H56.N15.O1.F2.Cl2.Br1.		10.0	853.3321	+0.4 mmu 
C35.H64.N5.O7.F2.Cl2.Br1.		4.0	853.3334	-0.9 mmu 
C44.H61.N3.O1.F3.Cl2.Br1.		13.0	853.3327	-0.2 mmu 
C29.H57.N15.O2.F3.Cl2.Br1.		6.0	853.3332	-0.7 mmu 
C28.H61.N11.O6.F3.Cl2.Br1.		1.0	853.3319	+0.6 mmu 
C37.H58.N9.F4.Cl2.Br1.		10.0	853.3312	+1.3 mmu 
C22.H54.N21.O1.F4.Cl2.Br1.		3.0	853.3317	+0.8 mmu 
C41.H62.N3.O2.F4.Cl2.Br1.		9.0	853.3339	-1.4 mmu 
C34.H59.N9.O1.F5.Cl2.Br1.		6.0	853.3323	+0.2 mmu 
C33.H63.N5.O5.F5.Cl2.Br1.		1.0	853.3310	+1.5 mmu 
C31.H60.N9.O2.F6.Cl2.Br1.		2.0	853.3335	-1.0 mmu 
C39.H61.N3.F7.Cl2.Br1.		6.0	853.3314	+1.1 mmu 
C36.H62.N3.O1.F8.Cl2.Br1.		2.0	853.3326	-0.1 mmu 
C36.H59.N13.P1.Cl2.Br1.		14.0	853.3314	+1.1 mmu 
C21.H55.N25.O1.P1.Cl2.Br1.		7.0	853.3319	+0.6 mmu 
C40.H63.N7.O2.P1.Cl2.Br1.		13.0	853.3341	-1.6 mmu 
C39.H67.N3.O6.P1.Cl2.Br1.		8.0	853.3328	-0.3 mmu 
C24.H63.N15.O7.P1.Cl2.Br1.		1.0	853.3333	-0.8 mmu 
C48.H64.N1.F1.P1.Cl2.Br1.		17.0	853.3321	+0.4 mmu 
C33.H60.N13.O1.F1.P1.Cl2.Br1.		10.0	853.3326	-0.1 mmu 
C32.H64.N9.O5.F1.P1.Cl2.Br1.		5.0	853.3312	+1.3 mmu 
C36.H68.N3.O7.F1.P1.Cl2.Br1.		4.0	853.3339	-1.4 mmu 
C26.H57.N19.F2.P1.Cl2.Br1.		7.0	853.3310	+1.5 mmu 
C45.H65.N1.O1.F2.P1.Cl2.Br1.		13.0	853.3332	-0.7 mmu 
C30.H61.N13.O2.F2.P1.Cl2.Br1.		6.0	853.3337	-1.2 mmu 
C29.H65.N9.O6.F2.P1.Cl2.Br1.		1.0	853.3324	+0.1 mmu 
C38.H62.N7.F3.P1.Cl2.Br1.		10.0	853.3317	+0.8 mmu 
C23.H58.N19.O1.F3.P1.Cl2.Br1.		3.0	853.3322	+0.3 mmu 
C35.H63.N7.O1.F4.P1.Cl2.Br1.		6.0	853.3328	-0.3 mmu 
C34.H67.N3.O5.F4.P1.Cl2.Br1.		1.0	853.3315	+1.0 mmu 
C28.H60.N13.F5.P1.Cl2.Br1.		3.0	853.3313	+1.2 mmu 
C32.H64.N7.O2.F5.P1.Cl2.Br1.		2.0	853.3340	-1.5 mmu 
C40.H65.N1.F6.P1.Cl2.Br1.		6.0	853.3319	+0.6 mmu 
C37.H66.N1.O1.F7.P1.Cl2.Br1.		2.0	853.3331	-0.6 mmu 
C34.H64.N11.O1.P2.Cl2.Br1.		10.0	853.3331	-0.6 mmu 
C33.H68.N7.O5.P2.Cl2.Br1.		5.0	853.3318	+0.7 mmu 
C27.H61.N17.F1.P2.Cl2.Br1.		7.0	853.3316	+0.9 mmu 
C30.H69.N7.O6.F1.P2.Cl2.Br1.		1.0	853.3329	-0.4 mmu 
C39.H66.N5.F2.P2.Cl2.Br1.		10.0	853.3322	+0.3 mmu 
C24.H62.N17.O1.F2.P2.Cl2.Br1.		3.0	853.3327	-0.2 mmu 
C38.H70.N1.O4.F2.P2.Cl2.Br1.		5.0	853.3309	+1.6 mmu 
C36.H67.N5.O1.F3.P2.Cl2.Br1.		6.0	853.3333	-0.8 mmu 
C35.H71.N1.O5.F3.P2.Cl2.Br1.		1.0	853.3320	+0.5 mmu 
C29.H64.N11.F4.P2.Cl2.Br1.		3.0	853.3318	+0.7 mmu 
C28.H65.N15.P3.Cl2.Br1.		7.0	853.3321	+0.4 mmu 
C31.H73.N5.O6.P3.Cl2.Br1.		1.0	853.3334	-0.9 mmu 
C40.H70.N3.F1.P3.Cl2.Br1.		10.0	853.3327	-0.2 mmu 
C25.H66.N15.O1.F1.P3.Cl2.Br1.		3.0	853.3332	-0.7 mmu 
C37.H71.N3.O1.F2.P3.Cl2.Br1.		6.0	853.3338	-1.3 mmu 
C30.H68.N9.F3.P3.Cl2.Br1.		3.0	853.3323	+0.2 mmu 
C41.H74.N1.P4.Cl2.Br1.		10.0	853.3332	-0.7 mmu 
C26.H70.N13.O1.P4.Cl2.Br1.		3.0	853.3337	-1.2 mmu 
C31.H72.N7.F2.P4.Cl2.Br1.		3.0	853.3328	-0.3 mmu 
C34.H79.N1.O3.P5.Cl2.Br1.		2.0	853.3308	+1.7 mmu 
C32.H76.N5.F1.P5.Cl2.Br1.		3.0	853.3333	-0.8 mmu 
C33.H80.N3.P6.Cl2.Br1.		3.0	853.3338	-1.3 mmu 
C34.H62.N11.O3.S1.Cl2.Br1.		10.0	853.3318	+0.7 mmu 
C37.H70.N1.O9.S1.Cl2.Br1.		4.0	853.3332	-0.7 mmu 
C31.H63.N11.O4.F1.S1.Cl2.Br1.		6.0	853.3330	-0.5 mmu 
C30.H67.N7.O8.F1.S1.Cl2.Br1.		1.0	853.3316	+0.9 mmu 
C39.H64.N5.O2.F2.S1.Cl2.Br1.		10.0	853.3309	+1.6 mmu 
C24.H60.N17.O3.F2.S1.Cl2.Br1.		3.0	853.3314	+1.1 mmu 
C28.H64.N11.O5.F2.S1.Cl2.Br1.		2.0	853.3341	-1.6 mmu 
C22.H57.N21.F3.S1.Cl2.Br1.		4.0	853.3339	-1.4 mmu 
C36.H65.N5.O3.F3.S1.Cl2.Br1.		6.0	853.3321	+0.4 mmu 
C33.H66.N5.O4.F4.S1.Cl2.Br1.		2.0	853.3332	-0.7 mmu 
C24.H60.N15.F6.S1.Cl2.Br1.		0.0	853.3341	-1.6 mmu 
C32.H67.N9.O4.P1.S1.Cl2.Br1.		6.0	853.3335	-1.0 mmu 
C31.H71.N5.O8.P1.S1.Cl2.Br1.		1.0	853.3321	+0.4 mmu 
C40.H68.N3.O2.F1.P1.S1.Cl2.Br1.		10.0	853.3314	+1.1 mmu 
C25.H64.N15.O3.F1.P1.S1.Cl2.Br1.		3.0	853.3319	+0.6 mmu 
C37.H69.N3.O3.F2.P1.S1.Cl2.Br1.		6.0	853.3326	-0.1 mmu 
C30.H66.N9.O2.F3.P1.S1.Cl2.Br1.		3.0	853.3310	+1.5 mmu 
C34.H70.N3.O4.F3.P1.S1.Cl2.Br1.		2.0	853.3337	-1.2 mmu 
C41.H72.N1.O2.P2.S1.Cl2.Br1.		10.0	853.3319	+0.6 mmu 
C26.H68.N13.O3.P2.S1.Cl2.Br1.		3.0	853.3324	+0.1 mmu 
C38.H73.N1.O3.F1.P2.S1.Cl2.Br1.		6.0	853.3331	-0.6 mmu 
C31.H70.N7.O2.F2.P2.S1.Cl2.Br1.		3.0	853.3315	+1.0 mmu 
C35.H73.N5.O1.P3.S1.Cl2.Br1.		7.0	853.3309	+1.6 mmu 
C32.H74.N5.O2.F1.P3.S1.Cl2.Br1.		3.0	853.3321	+0.4 mmu 
C33.H78.N3.O2.P4.S1.Cl2.Br1.		3.0	853.3326	-0.1 mmu 
C26.H75.N9.O1.F1.P4.S1.Cl2.Br1.		0.0	853.3310	+1.5 mmu 
C27.H79.N7.O1.P5.S1.Cl2.Br1.		0.0	853.3315	+1.0 mmu 
C42.H66.N5.S2.Cl2.Br1.		15.0	853.3320	+0.5 mmu 
C27.H62.N17.O1.S2.Cl2.Br1.		8.0	853.3325	-0.0 mmu 
C26.H66.N13.O5.S2.Cl2.Br1.		3.0	853.3312	+1.3 mmu 
C30.H70.N7.O7.S2.Cl2.Br1.		2.0	853.3339	-1.4 mmu 
C20.H59.N23.F1.S2.Cl2.Br1.		5.0	853.3310	+1.5 mmu 
C39.H67.N5.O1.F1.S2.Cl2.Br1.		11.0	853.3331	-0.6 mmu 
C24.H63.N17.O2.F1.S2.Cl2.Br1.		4.0	853.3337	-1.2 mmu 
C38.H71.N1.O5.F1.S2.Cl2.Br1.		6.0	853.3318	+0.7 mmu 
C32.H64.N11.F2.S2.Cl2.Br1.		8.0	853.3316	+0.9 mmu 
C35.H72.N1.O6.F2.S2.Cl2.Br1.		2.0	853.3330	-0.5 mmu 
C29.H65.N11.O1.F3.S2.Cl2.Br1.		4.0	853.3327	-0.2 mmu 
C22.H62.N17.F4.S2.Cl2.Br1.		1.0	853.3312	+1.3 mmu 
C26.H66.N11.O2.F4.S2.Cl2.Br1.		0.0	853.3339	-1.4 mmu 
C34.H67.N5.F5.S2.Cl2.Br1.		4.0	853.3318	+0.7 mmu 
C31.H68.N5.O1.F6.S2.Cl2.Br1.		0.0	853.3330	-0.5 mmu 
C21.H63.N21.P1.S2.Cl2.Br1.		5.0	853.3315	+1.0 mmu 
C40.H71.N3.O1.P1.S2.Cl2.Br1.		11.0	853.3337	-1.2 mmu 
C25.H67.N15.O2.P1.S2.Cl2.Br1.		4.0	853.3342	-1.7 mmu 
C33.H68.N9.F1.P1.S2.Cl2.Br1.		8.0	853.3321	+0.4 mmu 
C30.H69.N9.O1.F2.P1.S2.Cl2.Br1.		4.0	853.3333	-0.8 mmu 
C23.H66.N15.F3.P1.S2.Cl2.Br1.		1.0	853.3317	+0.8 mmu 
C35.H71.N3.F4.P1.S2.Cl2.Br1.		4.0	853.3324	+0.1 mmu 
C32.H72.N3.O1.F5.P1.S2.Cl2.Br1.		0.0	853.3335	-1.0 mmu 
C34.H72.N7.P2.S2.Cl2.Br1.		8.0	853.3326	-0.1 mmu 
C33.H76.N3.O4.P2.S2.Cl2.Br1.		3.0	853.3313	+1.2 mmu 
C31.H73.N7.O1.F1.P2.S2.Cl2.Br1.		4.0	853.3338	-1.3 mmu 
C24.H70.N13.F2.P2.S2.Cl2.Br1.		1.0	853.3322	+0.3 mmu 
C36.H75.N1.F3.P2.S2.Cl2.Br1.		4.0	853.3329	-0.4 mmu 
C33.H76.N1.O1.F4.P2.S2.Cl2.Br1.		0.0	853.3340	-1.5 mmu 
C25.H74.N11.F1.P3.S2.Cl2.Br1.		1.0	853.3327	-0.2 mmu 
C26.H78.N9.P4.S2.Cl2.Br1.		1.0	853.3332	-0.7 mmu 
C34.H70.N7.O2.S3.Cl2.Br1.		8.0	853.3314	+1.1 mmu 
C38.H74.N1.O4.S3.Cl2.Br1.		7.0	853.3340	-1.5 mmu 
C31.H71.N7.O3.F1.S3.Cl2.Br1.		4.0	853.3325	+0.0 mmu 
C24.H68.N13.O2.F2.S3.Cl2.Br1.		1.0	853.3310	+1.5 mmu 
C28.H72.N7.O4.F2.S3.Cl2.Br1.		0.0	853.3336	-1.1 mmu 
C36.H73.N1.O2.F3.S3.Cl2.Br1.		4.0	853.3316	+0.9 mmu 
C33.H74.N1.O3.F4.S3.Cl2.Br1.		0.0	853.3327	-0.2 mmu 
C32.H75.N5.O3.P1.S3.Cl2.Br1.		4.0	853.3330	-0.5 mmu 
C25.H72.N11.O2.F1.P1.S3.Cl2.Br1.		1.0	853.3315	+1.0 mmu 
C29.H76.N5.O4.F1.P1.S3.Cl2.Br1.		0.0	853.3342	-1.7 mmu 
C26.H76.N9.O2.P2.S3.Cl2.Br1.		1.0	853.3320	+0.5 mmu 
C31.H78.N3.O1.F2.P2.S3.Cl2.Br1.		1.0	853.3311	+1.4 mmu 
C32.H82.N1.O1.F1.P3.S3.Cl2.Br1.		1.0	853.3316	+0.9 mmu 
C27.H70.N13.S4.Cl2.Br1.		6.0	853.3320	+0.5 mmu 
C30.H78.N3.O6.S4.Cl2.Br1.		0.0	853.3334	-0.9 mmu 
C39.H75.N1.F1.S4.Cl2.Br1.		9.0	853.3327	-0.2 mmu 
C24.H71.N13.O1.F1.S4.Cl2.Br1.		2.0	853.3332	-0.7 mmu 
C36.H76.N1.O1.F2.S4.Cl2.Br1.		5.0	853.3338	-1.3 mmu 
C29.H73.N7.F3.S4.Cl2.Br1.		2.0	853.3323	+0.2 mmu 
C25.H75.N11.O1.P1.S4.Cl2.Br1.		2.0	853.3337	-1.2 mmu 
C30.H77.N5.F2.P1.S4.Cl2.Br1.		2.0	853.3328	-0.3 mmu 
C31.H81.N3.F1.P2.S4.Cl2.Br1.		2.0	853.3333	-0.8 mmu 
C32.H85.N1.P3.S4.Cl2.Br1.		2.0	853.3338	-1.3 mmu 
C34.H78.N3.O1.S5.Cl2.Br1.		6.0	853.3309	+1.6 mmu 
C31.H79.N3.O2.F1.S5.Cl2.Br1.		2.0	853.3320	+0.5 mmu 
C32.H83.N1.O2.P1.S5.Cl2.Br1.		2.0	853.3325	-0.0 mmu 
C22.H55.N25.Cl3.Br1.		6.0	853.3321	+0.4 mmu 
C40.H67.N3.O5.Cl3.Br1.		7.0	853.3330	-0.5 mmu 
C25.H63.N15.O6.Cl3.Br1.		0.0	853.3335	-1.0 mmu 
C34.H60.N13.F1.Cl3.Br1.		9.0	853.3328	-0.3 mmu 
C19.H56.N25.O1.F1.Cl3.Br1.		2.0	853.3333	-0.8 mmu 
C33.H64.N9.O4.F1.Cl3.Br1.		4.0	853.3314	+1.1 mmu 
C37.H68.N3.O6.F1.Cl3.Br1.		3.0	853.3341	-1.6 mmu 
C46.H65.N1.F2.Cl3.Br1.		12.0	853.3334	-0.9 mmu 
C31.H61.N13.O1.F2.Cl3.Br1.		5.0	853.3339	-1.4 mmu 
C30.H65.N9.O5.F2.Cl3.Br1.		0.0	853.3326	-0.1 mmu 
C24.H58.N19.F3.Cl3.Br1.		2.0	853.3324	+0.1 mmu 
C36.H63.N7.F4.Cl3.Br1.		5.0	853.3330	-0.5 mmu 
C35.H67.N3.O4.F4.Cl3.Br1.		0.0	853.3317	+0.8 mmu 
C33.H64.N7.O1.F5.Cl3.Br1.		1.0	853.3341	-1.6 mmu 
C38.H66.N1.F7.Cl3.Br1.		1.0	853.3332	-0.7 mmu 
C35.H64.N11.P1.Cl3.Br1.		9.0	853.3333	-0.8 mmu 
C20.H60.N23.O1.P1.Cl3.Br1.		2.0	853.3338	-1.3 mmu 
C34.H68.N7.O4.P1.Cl3.Br1.		4.0	853.3319	+0.6 mmu 
C31.H69.N7.O5.F1.P1.Cl3.Br1.		0.0	853.3331	-0.6 mmu 
C25.H62.N17.F2.P1.Cl3.Br1.		2.0	853.3329	-0.4 mmu 
C39.H70.N1.O3.F2.P1.Cl3.Br1.		4.0	853.3310	+1.5 mmu 
C37.H67.N5.F3.P1.Cl3.Br1.		5.0	853.3335	-1.0 mmu 
C36.H71.N1.O4.F3.P1.Cl3.Br1.		0.0	853.3322	+0.3 mmu 
C28.H69.N11.O3.P2.Cl3.Br1.		1.0	853.3309	+1.6 mmu 
C32.H73.N5.O5.P2.Cl3.Br1.		0.0	853.3336	-1.1 mmu 
C26.H66.N15.F1.P2.Cl3.Br1.		2.0	853.3334	-0.9 mmu 
C38.H71.N3.F2.P2.Cl3.Br1.		5.0	853.3340	-1.5 mmu 
C27.H70.N13.P3.Cl3.Br1.		2.0	853.3339	-1.4 mmu 
C35.H79.N1.O2.P4.Cl3.Br1.		1.0	853.3310	+1.5 mmu 
C29.H63.N15.O1.S1.Cl3.Br1.		6.0	853.3310	+1.5 mmu 
C33.H67.N9.O3.S1.Cl3.Br1.		5.0	853.3337	-1.2 mmu 
C32.H71.N5.O7.S1.Cl3.Br1.		0.0	853.3323	+0.2 mmu 
C41.H68.N3.O1.F1.S1.Cl3.Br1.		9.0	853.3316	+0.9 mmu 
C26.H64.N15.O2.F1.S1.Cl3.Br1.		2.0	853.3321	+0.4 mmu 
C38.H69.N3.O2.F2.S1.Cl3.Br1.		5.0	853.3328	-0.3 mmu 
C31.H66.N9.O1.F3.S1.Cl3.Br1.		2.0	853.3312	+1.3 mmu 
C35.H70.N3.O3.F3.S1.Cl3.Br1.		1.0	853.3339	-1.4 mmu 
C42.H72.N1.O1.P1.S1.Cl3.Br1.		9.0	853.3321	+0.4 mmu 
C27.H68.N13.O2.P1.S1.Cl3.Br1.		2.0	853.3326	-0.1 mmu 
C39.H73.N1.O2.F1.P1.S1.Cl3.Br1.		5.0	853.3333	-0.8 mmu 
C32.H70.N7.O1.F2.P1.S1.Cl3.Br1.		2.0	853.3317	+0.8 mmu 
C37.H72.N1.F4.P1.S1.Cl3.Br1.		2.0	853.3308	+1.7 mmu 
C36.H73.N5.P2.S1.Cl3.Br1.		6.0	853.3311	+1.4 mmu 
C33.H74.N5.O1.F1.P2.S1.Cl3.Br1.		2.0	853.3322	+0.3 mmu 
C34.H78.N3.O1.P3.S1.Cl3.Br1.		2.0	853.3327	-0.2 mmu 
C41.H71.N3.S2.Cl3.Br1.		10.0	853.3338	-1.3 mmu 
C33.H72.N5.O3.F1.S2.Cl3.Br1.		2.0	853.3310	+1.5 mmu 
C31.H69.N9.F2.S2.Cl3.Br1.		3.0	853.3334	-0.9 mmu 
C34.H76.N3.O3.P1.S2.Cl3.Br1.		2.0	853.3315	+1.0 mmu 
C32.H73.N7.F1.P1.S2.Cl3.Br1.		3.0	853.3339	-1.4 mmu 
C33.H75.N5.O2.S3.Cl3.Br1.		3.0	853.3332	-0.7 mmu 
C26.H72.N11.O1.F1.S3.Cl3.Br1.		0.0	853.3316	+0.9 mmu 
C27.H76.N9.O1.P1.S3.Cl3.Br1.		0.0	853.3322	+0.3 mmu 
C32.H78.N3.F2.P1.S3.Cl3.Br1.		0.0	853.3313	+1.2 mmu 
C33.H82.N1.F1.P2.S3.Cl3.Br1.		0.0	853.3318	+0.7 mmu 
C26.H75.N11.S4.Cl3.Br1.		1.0	853.3339	-1.4 mmu 
C33.H83.N1.O1.S5.Cl3.Br1.		1.0	853.3327	-0.2 mmu 
C21.H60.N23.Cl4.Br1.		1.0	853.3340	-1.5 mmu 
C35.H68.N7.O3.Cl4.Br1.		3.0	853.3321	+0.4 mmu 
C40.H70.N1.O2.F2.Cl4.Br1.		3.0	853.3312	+1.3 mmu 
C29.H69.N11.O2.P1.Cl4.Br1.		0.0	853.3311	+1.4 mmu 
C36.H79.N1.O1.P3.Cl4.Br1.		0.0	853.3312	+1.3 mmu 
C43.H72.N1.S1.Cl4.Br1.		8.0	853.3323	+0.2 mmu 
C28.H68.N13.O1.S1.Cl4.Br1.		1.0	853.3328	-0.3 mmu 
C40.H73.N1.O1.F1.S1.Cl4.Br1.		4.0	853.3334	-0.9 mmu 
C33.H70.N7.F2.S1.Cl4.Br1.		1.0	853.3319	+0.6 mmu 
C34.H74.N5.F1.P1.S1.Cl4.Br1.		1.0	853.3324	+0.1 mmu 
C35.H78.N3.P2.S1.Cl4.Br1.		1.0	853.3329	-0.4 mmu 
C35.H76.N3.O2.S2.Cl4.Br1.		1.0	853.3316	+0.9 mmu 
C36.H61.N11.O3.Br2.		11.0	853.3326	-0.1 mmu 
C21.H57.N23.O4.Br2.		4.0	853.3331	-0.6 mmu 
C35.H65.N7.O7.Br2.		6.0	853.3312	+1.3 mmu 
C39.H69.N1.O9.Br2.		5.0	853.3339	-1.4 mmu 
C29.H58.N17.O2.F1.Br2.		8.0	853.3310	+1.5 mmu 
C33.H62.N11.O4.F1.Br2.		7.0	853.3337	-1.2 mmu 
C32.H66.N7.O8.F1.Br2.		2.0	853.3324	+0.1 mmu 
C41.H63.N5.O2.F2.Br2.		11.0	853.3317	+0.8 mmu 
C26.H59.N17.O3.F2.Br2.		4.0	853.3322	+0.3 mmu 
C38.H64.N5.O3.F3.Br2.		7.0	853.3328	-0.3 mmu 
C23.H60.N17.O4.F3.Br2.		0.0	853.3333	-0.8 mmu 
C37.H68.N1.O7.F3.Br2.		2.0	853.3315	+1.0 mmu 
C31.H61.N11.O2.F4.Br2.		4.0	853.3313	+1.2 mmu 
C35.H65.N5.O4.F4.Br2.		3.0	853.3339	-1.4 mmu 
C28.H62.N11.O3.F5.Br2.		0.0	853.3324	+0.1 mmu 
C33.H64.N5.O2.F7.Br2.		0.0	853.3315	+1.0 mmu 
C45.H66.N3.O1.P1.Br2.		15.0	853.3310	+1.5 mmu 
C30.H62.N15.O2.P1.Br2.		8.0	853.3315	+1.0 mmu 
C33.H70.N5.O8.P1.Br2.		2.0	853.3329	-0.4 mmu 
C42.H67.N3.O2.F1.P1.Br2.		11.0	853.3322	+0.3 mmu 
C27.H63.N15.O3.F1.P1.Br2.		4.0	853.3327	-0.2 mmu 
C20.H60.N21.O2.F2.P1.Br2.		1.0	853.3311	+1.4 mmu 
C39.H68.N3.O3.F2.P1.Br2.		7.0	853.3333	-0.8 mmu 
C24.H64.N15.O4.F2.P1.Br2.		0.0	853.3338	-1.3 mmu 
C32.H65.N9.O2.F3.P1.Br2.		4.0	853.3318	+0.7 mmu 
C29.H66.N9.O3.F4.P1.Br2.		0.0	853.3329	-0.4 mmu 
C37.H67.N3.O1.F5.P1.Br2.		4.0	853.3309	+1.6 mmu 
C34.H68.N3.O2.F6.P1.Br2.		0.0	853.3320	+0.5 mmu 
C43.H71.N1.O2.P2.Br2.		11.0	853.3327	-0.2 mmu 
C28.H67.N13.O3.P2.Br2.		4.0	853.3332	-0.7 mmu 
C36.H68.N7.O1.F1.P2.Br2.		8.0	853.3311	+1.4 mmu 
C40.H72.N1.O3.F1.P2.Br2.		7.0	853.3338	-1.3 mmu 
C33.H69.N7.O2.F2.P2.Br2.		4.0	853.3323	+0.2 mmu 
C30.H70.N7.O3.F3.P2.Br2.		0.0	853.3334	-0.9 mmu 
C38.H71.N1.O1.F4.P2.Br2.		4.0	853.3314	+1.1 mmu 
C35.H72.N1.O2.F5.P2.Br2.		0.0	853.3325	-0.0 mmu 
C37.H72.N5.O1.P3.Br2.		8.0	853.3316	+0.9 mmu 
C34.H73.N5.O2.F1.P3.Br2.		4.0	853.3328	-0.3 mmu 
C27.H70.N11.O1.F2.P3.Br2.		1.0	853.3312	+1.3 mmu 
C31.H74.N5.O3.F2.P3.Br2.		0.0	853.3339	-1.4 mmu 
C35.H77.N3.O2.P4.Br2.		4.0	853.3333	-0.8 mmu 
C28.H74.N9.O1.F1.P4.Br2.		1.0	853.3318	+0.7 mmu 
C33.H76.N3.F3.P4.Br2.		1.0	853.3309	+1.6 mmu 
C29.H78.N7.O1.P5.Br2.		1.0	853.3323	+0.2 mmu 
C34.H80.N1.F2.P5.Br2.		1.0	853.3314	+1.1 mmu 
C44.H65.N5.S1.Br2.		16.0	853.3327	-0.2 mmu 
C29.H61.N17.O1.S1.Br2.		9.0	853.3332	-0.7 mmu 
C43.H69.N1.O4.S1.Br2.		11.0	853.3314	+1.1 mmu 
C28.H65.N13.O5.S1.Br2.		4.0	853.3319	+0.6 mmu 
C22.H58.N23.F1.S1.Br2.		6.0	853.3317	+0.8 mmu 
C41.H66.N5.O1.F1.S1.Br2.		12.0	853.3339	-1.4 mmu 
C40.H70.N1.O5.F1.S1.Br2.		7.0	853.3325	-0.0 mmu 
C25.H66.N13.O6.F1.S1.Br2.		0.0	853.3331	-0.6 mmu 
C34.H63.N11.F2.S1.Br2.		9.0	853.3323	+0.2 mmu 
C33.H67.N7.O4.F2.S1.Br2.		4.0	853.3310	+1.5 mmu 
C37.H71.N1.O6.F2.S1.Br2.		3.0	853.3337	-1.2 mmu 
C31.H64.N11.O1.F3.S1.Br2.		5.0	853.3335	-1.0 mmu 
C30.H68.N7.O5.F3.S1.Br2.		0.0	853.3321	+0.4 mmu 
C24.H61.N17.F4.S1.Br2.		2.0	853.3319	+0.6 mmu 
C36.H66.N5.F5.S1.Br2.		5.0	853.3326	-0.1 mmu 
C35.H70.N1.O4.F5.S1.Br2.		0.0	853.3312	+1.3 mmu 
C33.H67.N5.O1.F6.S1.Br2.		1.0	853.3337	-1.2 mmu 
C23.H62.N21.P1.S1.Br2.		6.0	853.3322	+0.3 mmu 
C22.H66.N17.O4.P1.S1.Br2.		1.0	853.3309	+1.6 mmu 
C26.H70.N11.O6.P1.S1.Br2.		0.0	853.3336	-1.1 mmu 
C35.H67.N9.F1.P1.S1.Br2.		9.0	853.3329	-0.4 mmu 
C34.H71.N5.O4.F1.P1.S1.Br2.		4.0	853.3315	+1.0 mmu 
C32.H68.N9.O1.F2.P1.S1.Br2.		5.0	853.3340	-1.5 mmu 
C31.H72.N5.O5.F2.P1.S1.Br2.		0.0	853.3327	-0.2 mmu 
C25.H65.N15.F3.P1.S1.Br2.		2.0	853.3325	+0.0 mmu 
C37.H70.N3.F4.P1.S1.Br2.		5.0	853.3331	-0.6 mmu 
C36.H71.N7.P2.S1.Br2.		9.0	853.3334	-0.9 mmu 
C35.H75.N3.O4.P2.S1.Br2.		4.0	853.3320	+0.5 mmu 
C32.H76.N3.O5.F1.P2.S1.Br2.		0.0	853.3332	-0.7 mmu 
C26.H69.N13.F2.P2.S1.Br2.		2.0	853.3330	-0.5 mmu 
C38.H74.N1.F3.P2.S1.Br2.		5.0	853.3336	-1.1 mmu 
C29.H76.N7.O3.P3.S1.Br2.		1.0	853.3310	+1.5 mmu 
C33.H80.N1.O5.P3.S1.Br2.		0.0	853.3337	-1.2 mmu 
C27.H73.N11.F1.P3.S1.Br2.		2.0	853.3335	-1.0 mmu 
C28.H77.N9.P4.S1.Br2.		2.0	853.3340	-1.5 mmu 
C36.H69.N7.O2.S2.Br2.		9.0	853.3321	+0.4 mmu 
C33.H70.N7.O3.F1.S2.Br2.		5.0	853.3332	-0.7 mmu 
C32.H74.N3.O7.F1.S2.Br2.		0.0	853.3319	+0.6 mmu 
C41.H71.N1.O1.F2.S2.Br2.		9.0	853.3312	+1.3 mmu 
C26.H67.N13.O2.F2.S2.Br2.		2.0	853.3317	+0.8 mmu 
C38.H72.N1.O2.F3.S2.Br2.		5.0	853.3323	+0.2 mmu 
C35.H73.N1.O3.F4.S2.Br2.		1.0	853.3335	-1.0 mmu 
C30.H70.N11.O1.P1.S2.Br2.		6.0	853.3311	+1.4 mmu 
C34.H74.N5.O3.P1.S2.Br2.		5.0	853.3337	-1.2 mmu 
C33.H78.N1.O7.P1.S2.Br2.		0.0	853.3324	+0.1 mmu 
C27.H71.N11.O2.F1.P1.S2.Br2.		2.0	853.3322	+0.3 mmu 
C32.H73.N5.O1.F3.P1.S2.Br2.		2.0	853.3313	+1.2 mmu 
C28.H75.N9.O2.P2.S2.Br2.		2.0	853.3327	-0.2 mmu 
C33.H77.N3.O1.F2.P2.S2.Br2.		2.0	853.3318	+0.7 mmu 
C37.H80.N1.P3.S2.Br2.		6.0	853.3312	+1.3 mmu 
C34.H81.N1.O1.F1.P3.S2.Br2.		2.0	853.3323	+0.2 mmu 
C29.H69.N13.S3.Br2.		7.0	853.3328	-0.3 mmu 
C28.H73.N9.O4.S3.Br2.		2.0	853.3314	+1.1 mmu 
C32.H77.N3.O6.S3.Br2.		1.0	853.3341	-1.6 mmu 
C41.H74.N1.F1.S3.Br2.		10.0	853.3334	-0.9 mmu 
C26.H70.N13.O1.F1.S3.Br2.		3.0	853.3339	-1.4 mmu 
C31.H72.N7.F3.S3.Br2.		3.0	853.3330	-0.5 mmu 
C34.H79.N1.O3.F1.P1.S3.Br2.		2.0	853.3310	+1.5 mmu 
C32.H76.N5.F2.P1.S3.Br2.		3.0	853.3335	-1.0 mmu 
C33.H80.N3.F1.P2.S3.Br2.		3.0	853.3340	-1.5 mmu 
C36.H77.N3.O1.S4.Br2.		7.0	853.3316	+0.9 mmu 
C33.H78.N3.O2.F1.S4.Br2.		3.0	853.3328	-0.3 mmu 
C26.H75.N9.O1.F2.S4.Br2.		0.0	853.3312	+1.3 mmu 
C34.H82.N1.O2.P1.S4.Br2.		3.0	853.3333	-0.8 mmu 
C27.H79.N7.O1.F1.P1.S4.Br2.		0.0	853.3317	+0.8 mmu 
C32.H81.N1.F3.P1.S4.Br2.		0.0	853.3308	+1.7 mmu 
C28.H83.N5.O1.P2.S4.Br2.		0.0	853.3322	+0.3 mmu 
C28.H81.N5.O3.S5.Br2.		0.0	853.3310	+1.5 mmu 
C26.H78.N9.F1.S5.Br2.		1.0	853.3335	-1.0 mmu 
C46.H66.N3.Cl1.Br2.		14.0	853.3312	+1.3 mmu 
C31.H62.N15.O1.Cl1.Br2.		7.0	853.3317	+0.8 mmu 
C34.H70.N5.O7.Cl1.Br2.		1.0	853.3331	-0.6 mmu 
C43.H67.N3.O1.F1.Cl1.Br2.		10.0	853.3323	+0.2 mmu 
C28.H63.N15.O2.F1.Cl1.Br2.		3.0	853.3328	-0.3 mmu 
C36.H64.N9.F2.Cl1.Br2.		7.0	853.3308	+1.7 mmu 
C21.H60.N21.O1.F2.Cl1.Br2.		0.0	853.3313	+1.2 mmu 
C40.H68.N3.O2.F2.Cl1.Br2.		6.0	853.3335	-1.0 mmu 
C33.H65.N9.O1.F3.Cl1.Br2.		3.0	853.3319	+0.6 mmu 
C38.H67.N3.F5.Cl1.Br2.		3.0	853.3310	+1.5 mmu 
C44.H71.N1.O1.P1.Cl1.Br2.		10.0	853.3329	-0.4 mmu 
C29.H67.N13.O2.P1.Cl1.Br2.		3.0	853.3334	-0.9 mmu 
C37.H68.N7.F1.P1.Cl1.Br2.		7.0	853.3313	+1.2 mmu 
C22.H64.N19.O1.F1.P1.Cl1.Br2.		0.0	853.3318	+0.7 mmu 
C41.H72.N1.O2.F1.P1.Cl1.Br2.		6.0	853.3340	-1.5 mmu 
C34.H69.N7.O1.F2.P1.Cl1.Br2.		3.0	853.3325	+0.0 mmu 
C27.H66.N13.F3.P1.Cl1.Br2.		0.0	853.3309	+1.6 mmu 
C39.H71.N1.F4.P1.Cl1.Br2.		3.0	853.3316	+0.9 mmu 
C38.H72.N5.P2.Cl1.Br2.		7.0	853.3318	+0.7 mmu 
C23.H68.N17.O1.P2.Cl1.Br2.		0.0	853.3323	+0.2 mmu 
C35.H73.N5.O1.F1.P2.Cl1.Br2.		3.0	853.3330	-0.5 mmu 
C28.H70.N11.F2.P2.Cl1.Br2.		0.0	853.3314	+1.1 mmu 
C36.H77.N3.O1.P3.Cl1.Br2.		3.0	853.3335	-1.0 mmu 
C29.H74.N9.F1.P3.Cl1.Br2.		0.0	853.3319	+0.6 mmu 
C30.H78.N7.P4.Cl1.Br2.		0.0	853.3324	+0.1 mmu 
C23.H66.N17.O3.S1.Cl1.Br2.		0.0	853.3311	+1.4 mmu 
C21.H63.N21.F1.S1.Cl1.Br2.		1.0	853.3335	-1.0 mmu 
C35.H71.N5.O3.F1.S1.Cl1.Br2.		3.0	853.3317	+0.8 mmu 
C33.H68.N9.F2.S1.Cl1.Br2.		4.0	853.3342	-1.7 mmu 
C36.H75.N3.O3.P1.S1.Cl1.Br2.		3.0	853.3322	+0.3 mmu 
C30.H76.N7.O2.P2.S1.Cl1.Br2.		0.0	853.3312	+1.3 mmu 
C31.H70.N11.S2.Cl1.Br2.		5.0	853.3312	+1.3 mmu 
C35.H74.N5.O2.S2.Cl1.Br2.		4.0	853.3339	-1.4 mmu 
C28.H71.N11.O1.F1.S2.Cl1.Br2.		1.0	853.3324	+0.1 mmu 
C33.H73.N5.F3.S2.Cl1.Br2.		1.0	853.3315	+1.0 mmu 
C29.H75.N9.O1.P1.S2.Cl1.Br2.		1.0	853.3329	-0.4 mmu 
C34.H77.N3.F2.P1.S2.Cl1.Br2.		1.0	853.3320	+0.5 mmu 
C35.H81.N1.F1.P2.S2.Cl1.Br2.		1.0	853.3325	+0.0 mmu 
C35.H79.N1.O2.F1.S3.Cl1.Br2.		1.0	853.3312	+1.3 mmu 
C35.H82.N1.O1.S4.Cl1.Br2.		2.0	853.3335	-1.0 mmu 
C45.H71.N1.Cl2.Br2.		9.0	853.3330	-0.5 mmu 
C30.H67.N13.O1.Cl2.Br2.		2.0	853.3335	-1.0 mmu 
C42.H72.N1.O1.F1.Cl2.Br2.		5.0	853.3342	-1.7 mmu 
C35.H69.N7.F2.Cl2.Br2.		2.0	853.3326	-0.1 mmu 
C36.H73.N5.F1.P1.Cl2.Br2.		2.0	853.3331	-0.6 mmu 
C37.H77.N3.P2.Cl2.Br2.		2.0	853.3337	-1.2 mmu 
C37.H75.N3.O2.S1.Cl2.Br2.		2.0	853.3324	+0.1 mmu 
C30.H75.N9.S2.Cl2.Br2.		0.0	853.3331	-0.6 mmu 
C39.H76.N1.O2.Cl3.Br2.		0.0	853.3308	+1.7 mmu 
C7.H2.O2.P2.S3.Cl12.Br2.		9.0	853.3321	+0.4 mmu 
C7.O4.S4.Cl12.Br2.		9.0	853.3308	+1.7 mmu 
C5.O3.F2.P1.S2.Cl13.Br2.		3.0	853.3312	+1.3 mmu 
C8.H2.O1.P1.S3.Cl13.Br2.		8.0	853.3323	+0.2 mmu 
C5.H3.O2.F1.P1.S3.Cl13.Br2.		4.0	853.3334	-0.9 mmu 
C8.O3.P2.Cl14.Br2.		4.0	853.3329	-0.4 mmu 
C6.O2.F2.S2.Cl14.Br2.		2.0	853.3314	+1.1 mmu 
C9.H2.S3.Cl14.Br2.		7.0	853.3325	+0.0 mmu 
C6.H3.O1.F1.S3.Cl14.Br2.		3.0	853.3336	-1.1 mmu 
C39.H74.N3.O2.Br3.		3.0	853.3331	-0.6 mmu 
C32.H71.N9.O1.F1.Br3.		0.0	853.3316	+0.9 mmu 
C33.H75.N7.O1.P1.Br3.		0.0	853.3321	+0.4 mmu 
C38.H77.N1.F2.P1.Br3.		0.0	853.3312	+1.3 mmu 
C32.H74.N9.S1.Br3.		1.0	853.3338	-1.3 mmu 
C8.H3.O1.P2.S5.Cl8.Br3.		15.0	853.3321	+0.4 mmu 
C5.O6.F1.P1.S3.Cl9.Br3.		7.0	853.3326	-0.1 mmu 
C9.H3.P1.S5.Cl9.Br3.		14.0	853.3323	+0.2 mmu 
C6.O5.F1.S3.Cl10.Br3.		6.0	853.3327	-0.2 mmu 
C10.F1.P3.Cl11.Br3.		8.0	853.3321	+0.4 mmu 
C4.O4.F3.P1.S1.Cl11.Br3.		0.0	853.3331	-0.6 mmu 
C7.H2.O2.F1.P1.S2.Cl11.Br3.		5.0	853.3342	-1.7 mmu 
C5.H1.F4.P1.S2.Cl11.Br3.		2.0	853.3317	+0.8 mmu 
C4.H6.O3.P1.S2.Cl12.Br3.		0.0	853.3308	+1.7 mmu 
C8.O5.P2.S5.Cl4.Br4.		18.0	853.3312	+1.3 mmu 
C9.O4.P1.S5.Cl5.Br4.		17.0	853.3314	+1.1 mmu 
C7.O3.F2.P2.S3.Cl6.Br4.		11.0	853.3318	+0.7 mmu 
C10.H2.O1.P2.S4.Cl6.Br4.		16.0	853.3328	-0.3 mmu 
C7.H3.O2.F1.P2.S4.Cl6.Br4.		12.0	853.3340	-1.5 mmu 
C10.O3.S5.Cl6.Br4.		16.0	853.3316	+0.9 mmu 
C10.O3.P3.S1.Cl7.Br4.		12.0	853.3334	-0.9 mmu 
C8.O2.F2.P1.S3.Cl7.Br4.		10.0	853.3319	+0.6 mmu 
C5.H1.O3.F3.P1.S3.Cl7.Br4.		6.0	853.3331	-0.6 mmu 
C8.H3.O1.F1.P1.S4.Cl7.Br4.		11.0	853.3342	-1.7 mmu 
C11.O2.P2.S1.Cl8.Br4.		11.0	853.3336	-1.1 mmu 
C9.O1.F2.S3.Cl8.Br4.		9.0	853.3321	+0.4 mmu 
C12.O1.P1.S1.Cl9.Br4.		10.0	853.3338	-1.3 mmu 
C4.H1.N2.O4.F1.P1.S1.Cl9.Br4.		2.0	853.3309	+1.6 mmu 
C7.F4.P1.S1.Cl9.Br4.		3.0	853.3325	+0.0 mmu 
C4.H4.N2.O3.P1.S2.Cl9.Br4.		3.0	853.3331	-0.6 mmu 
C8.H2.N2.P2.Cl10.Br4.		5.0	853.3312	+1.3 mmu 
C13.S1.Cl10.Br4.		9.0	853.3339	-1.4 mmu 
C5.H1.N2.O3.F1.S1.Cl10.Br4.		1.0	853.3311	+1.4 mmu 
C6.H5.O3.P1.S1.Cl10.Br4.		1.0	853.3316	+0.9 mmu 
C4.H2.N4.F1.P1.S1.Cl10.Br4.		2.0	853.3341	-1.6 mmu 
C5.H4.N2.O2.S2.Cl10.Br4.		2.0	853.3333	-0.8 mmu 
C6.H3.N2.F1.P1.Cl11.Br4.		0.0	853.3325	-0.0 mmu 
C7.H7.P2.Cl11.Br4.		0.0	853.3330	-0.5 mmu 
C7.H5.O2.S1.Cl11.Br4.		0.0	853.3318	+0.7 mmu 
C10.H3.O1.P3.S6.Cl1.Br5.		23.0	853.3326	-0.1 mmu 
C7.O6.F1.P2.S4.Cl2.Br5.		15.0	853.3331	-0.6 mmu 
C11.H3.P2.S6.Cl2.Br5.		22.0	853.3328	-0.3 mmu 
C8.O5.F1.P1.S4.Cl3.Br5.		14.0	853.3333	-0.8 mmu 
C9.O4.F1.S4.Cl4.Br5.		13.0	853.3334	-0.9 mmu 
C7.O3.F3.P1.S2.Cl5.Br5.		7.0	853.3338	-1.3 mmu 
C5.H2.N2.O3.F1.P1.S3.Cl5.Br5.		8.0	853.3309	+1.6 mmu 
C5.H2.F5.P1.S3.Cl5.Br5.		5.0	853.3336	-1.1 mmu 
C7.N4.O1.S4.Cl5.Br5.		13.0	853.3314	+1.1 mmu 
C5.H1.N2.O6.S2.Cl6.Br5.		5.0	853.3324	+0.1 mmu 
C8.O2.F3.S2.Cl6.Br5.		6.0	853.3340	-1.5 mmu 
C5.N4.F2.P1.S2.Cl6.Br5.		7.0	853.3318	+0.7 mmu 
C6.H2.N2.O2.F1.S3.Cl6.Br5.		7.0	853.3310	+1.5 mmu 
C7.H6.O2.P1.S3.Cl6.Br5.		7.0	853.3316	+0.9 mmu 
C6.N2.O4.F1.P1.Cl7.Br5.		3.0	853.3316	+0.9 mmu 
C8.N4.P2.Cl7.Br5.		8.0	853.3335	-1.0 mmu 
C7.H4.O4.P2.Cl7.Br5.		3.0	853.3321	+0.4 mmu 
C7.H2.O6.S1.Cl7.Br5.		3.0	853.3309	+1.6 mmu 
C6.H3.N2.O3.P1.S1.Cl7.Br5.		4.0	853.3339	-1.4 mmu 
C4.H2.N2.O1.F3.P1.S1.Cl7.Br5.		1.0	853.3314	+1.1 mmu 
C4.H5.N2.F2.P1.S2.Cl7.Br5.		2.0	853.3336	-1.1 mmu 
C8.H6.O1.S3.Cl7.Br5.		6.0	853.3317	+0.8 mmu 
C5.H7.O2.F1.S3.Cl7.Br5.		2.0	853.3329	-0.4 mmu 
C7.N2.O3.F1.Cl8.Br5.		2.0	853.3318	+0.7 mmu 
C8.H4.O3.P1.Cl8.Br5.		2.0	853.3323	+0.2 mmu 
C7.H3.N2.O2.S1.Cl8.Br5.		3.0	853.3340	-1.5 mmu 
C5.H2.N2.F3.S1.Cl8.Br5.		0.0	853.3316	+0.9 mmu 
C6.H6.F2.P1.S1.Cl8.Br5.		0.0	853.3321	+0.4 mmu 
C9.H4.O2.Cl9.Br5.		1.0	853.3325	+0.0 mmu 
C10.O2.F2.P2.S4.Br6.		18.0	853.3325	+0.0 mmu 
C13.O2.S6.Br6.		23.0	853.3323	+0.2 mmu 
C13.O2.P3.S2.Cl1.Br6.		19.0	853.3341	-1.6 mmu 
C11.O1.F2.P1.S4.Cl1.Br6.		17.0	853.3326	-0.1 mmu 
C9.F4.P2.S2.Cl2.Br6.		11.0	853.3330	-0.5 mmu 
C5.N4.O3.F1.P1.S3.Cl2.Br6.		11.0	853.3331	-0.6 mmu 
C12.F2.S4.Cl2.Br6.		16.0	853.3328	-0.3 mmu 
C8.H7.O1.P1.S5.Cl2.Br6.		13.0	853.3315	+1.0 mmu 
C6.N2.O7.P1.S1.Cl3.Br6.		7.0	853.3330	-0.5 mmu 
C10.H2.N2.P3.S1.Cl3.Br6.		13.0	853.3317	+0.8 mmu 
C4.H2.N2.O4.F2.P1.S2.Cl3.Br6.		5.0	853.3327	-0.2 mmu 
C8.H5.O3.P2.S2.Cl3.Br6.		9.0	853.3321	+0.4 mmu 
C8.H3.O5.S3.Cl3.Br6.		9.0	853.3308	+1.7 mmu 
C6.N4.O2.F1.S3.Cl3.Br6.		10.0	853.3333	-0.8 mmu 
C5.H4.O6.F1.S3.Cl3.Br6.		5.0	853.3320	+0.5 mmu 
C7.H4.N2.O2.P1.S3.Cl3.Br6.		10.0	853.3338	-1.3 mmu 
C5.H3.N2.F3.P1.S3.Cl3.Br6.		7.0	853.3314	+1.1 mmu 
C9.H7.S5.Cl3.Br6.		12.0	853.3317	+0.8 mmu 
C8.N2.O1.F2.P2.Cl4.Br6.		7.0	853.3308	+1.7 mmu 
C7.N2.O6.S1.Cl4.Br6.		6.0	853.3331	-0.6 mmu 
C6.H3.O4.F2.P1.S1.Cl4.Br6.		3.0	853.3312	+1.3 mmu 
C4.N4.O1.F3.P1.S1.Cl4.Br6.		4.0	853.3337	-1.2 mmu 
C8.H3.N2.F1.P2.S1.Cl4.Br6.		8.0	853.3331	-0.6 mmu 
C5.H2.N2.O3.F2.S2.Cl4.Br6.		4.0	853.3329	-0.4 mmu 
C9.H5.O2.P1.S2.Cl4.Br6.		8.0	853.3323	+0.2 mmu 
C6.H6.O3.F1.P1.S2.Cl4.Br6.		4.0	853.3334	-0.9 mmu 
C4.H5.O1.F4.P1.S2.Cl4.Br6.		1.0	853.3310	+1.5 mmu 
C8.H4.N2.O1.S3.Cl4.Br6.		9.0	853.3340	-1.5 mmu 
C6.H2.O7.F1.Cl5.Br6.		0.0	853.3327	-0.2 mmu 
C9.N2.F2.P1.Cl5.Br6.		6.0	853.3310	+1.5 mmu 
C10.H4.F1.P2.Cl5.Br6.		6.0	853.3315	+1.0 mmu 
C7.H5.O1.F2.P2.Cl5.Br6.		2.0	853.3327	-0.2 mmu 
C7.H3.O3.F2.S1.Cl5.Br6.		2.0	853.3314	+1.1 mmu 
C5.N4.F3.S1.Cl5.Br6.		3.0	853.3339	-1.4 mmu 
C10.H5.O1.S2.Cl5.Br6.		7.0	853.3325	+0.0 mmu 
C7.H6.O2.F1.S2.Cl5.Br6.		3.0	853.3336	-1.1 mmu 
C5.H5.F4.S2.Cl5.Br6.		0.0	853.3312	+1.3 mmu 
C4.H6.N4.P1.S2.Cl5.Br6.		4.0	853.3314	+1.1 mmu 
C8.H5.F2.P1.Cl6.Br6.		1.0	853.3328	-0.3 mmu 
C4.H3.N6.Cl7.Br6.		0.0	853.3339	-1.4 mmu 
C8.N2.O4.F1.P2.S1.Br7.		11.0	853.3322	+0.3 mmu 
C10.N4.P3.S1.Br7.		16.0	853.3340	-1.5 mmu 
C9.H2.O6.P1.S2.Br7.		11.0	853.3314	+1.1 mmu 
C6.H3.O7.F1.P1.S2.Br7.		7.0	853.3325	-0.0 mmu 
C10.H5.F1.P3.S2.Br7.		13.0	853.3313	+1.2 mmu 
C6.F7.S3.Br7.		6.0	853.3334	-0.9 mmu 
C7.H4.O3.F2.P1.S3.Br7.		9.0	853.3312	+1.3 mmu 
C5.H1.N4.F3.P1.S3.Br7.		10.0	853.3337	-1.2 mmu 
C9.H2.N2.O1.F1.S4.Br7.		14.0	853.3318	+0.7 mmu 
C10.H6.O1.P1.S4.Br7.		14.0	853.3323	+0.2 mmu 
C7.H7.O2.F1.P1.S4.Br7.		10.0	853.3334	-0.9 mmu 
C9.H5.N2.S5.Br7.		15.0	853.3340	-1.5 mmu 
C7.H2.O5.F2.P2.Cl1.Br7.		5.0	853.3318	+0.7 mmu 
C9.N2.O3.F1.P1.S1.Cl1.Br7.		10.0	853.3323	+0.2 mmu 
C4.N2.O2.F5.P1.S1.Cl1.Br7.		3.0	853.3310	+1.5 mmu 
C10.H4.O3.P2.S1.Cl1.Br7.		10.0	853.3329	-0.4 mmu 
C7.H5.O4.F1.P2.S1.Cl1.Br7.		6.0	853.3340	-1.5 mmu 
C10.H2.O5.S2.Cl1.Br7.		10.0	853.3316	+0.9 mmu 
C7.H3.O6.F1.S2.Cl1.Br7.		6.0	853.3327	-0.2 mmu 
C7.H2.N2.F3.P1.S2.Cl1.Br7.		8.0	853.3321	+0.4 mmu 
C4.H3.N2.O1.F4.P1.S2.Cl1.Br7.		4.0	853.3333	-0.8 mmu 
C8.H6.F2.P2.S2.Cl1.Br7.		8.0	853.3326	-0.1 mmu 
C8.H4.O2.F2.S3.Cl1.Br7.		8.0	853.3314	+1.1 mmu 
C5.H5.O3.F3.S3.Cl1.Br7.		4.0	853.3325	-0.0 mmu 
C11.H6.S4.Cl1.Br7.		13.0	853.3324	+0.1 mmu 
C8.H7.O1.F1.S4.Cl1.Br7.		9.0	853.3336	-1.1 mmu 
C8.H2.O4.F2.P1.Cl2.Br7.		4.0	853.3319	+0.6 mmu 
C5.H3.O5.F3.P1.Cl2.Br7.		0.0	853.3331	-0.6 mmu 
C10.H2.N2.F1.P2.Cl2.Br7.		9.0	853.3338	-1.3 mmu 
C10.N2.O2.F1.S1.Cl2.Br7.		9.0	853.3325	-0.0 mmu 
C5.N2.O1.F5.S1.Cl2.Br7.		2.0	853.3312	+1.3 mmu 
C11.H4.O2.P1.S1.Cl2.Br7.		9.0	853.3330	-0.5 mmu 
C4.H1.N6.O1.F1.P1.S1.Cl2.Br7.		6.0	853.3315	+1.0 mmu 
C8.H5.O3.F1.P1.S1.Cl2.Br7.		5.0	853.3342	-1.7 mmu 
C6.H4.O1.F4.P1.S1.Cl2.Br7.		2.0	853.3317	+0.8 mmu 
C5.H3.N2.F4.S2.Cl2.Br7.		3.0	853.3334	-0.9 mmu 
C4.H4.N6.P1.S2.Cl2.Br7.		7.0	853.3337	-1.2 mmu 
C6.H7.F3.P1.S2.Cl2.Br7.		3.0	853.3340	-1.5 mmu 
C4.N6.O4.Cl3.Br7.		3.0	853.3330	-0.5 mmu 
C9.H2.O3.F2.Cl3.Br7.		3.0	853.3321	+0.4 mmu 
C12.H4.O1.S1.Cl3.Br7.		8.0	853.3332	-0.7 mmu 
C5.H1.N6.F1.S1.Cl3.Br7.		5.0	853.3317	+0.8 mmu 
C7.H4.F4.S1.Cl3.Br7.		1.0	853.3319	+0.6 mmu 
C6.H5.N4.P1.S1.Cl3.Br7.		5.0	853.3322	+0.3 mmu 
C5.H9.O4.P1.S1.Cl3.Br7.		0.0	853.3308	+1.7 mmu 
C4.H8.N2.O3.S2.Cl3.Br7.		1.0	853.3326	-0.1 mmu 
C4.H6.N4.F1.S1.Cl4.Br7.		0.0	853.3335	-1.0 mmu 
C5.H10.N2.P1.S1.Cl4.Br7.		0.0	853.3340	-1.5 mmu 
C13.H3.O2.P1.Br8.		10.0	853.3338	-1.3 mmu 
C6.N6.O1.F1.P1.Br8.		7.0	853.3322	+0.3 mmu 
C5.H4.N2.O5.F1.P1.Br8.		2.0	853.3309	+1.6 mmu 
C8.H3.O1.F4.P1.Br8.		3.0	853.3325	+0.0 mmu 
C7.H4.N4.O1.P2.Br8.		7.0	853.3327	-0.2 mmu 
C7.H2.N4.O3.S1.Br8.		7.0	853.3315	+1.0 mmu 
C4.H3.N4.O4.F1.S1.Br8.		3.0	853.3326	-0.1 mmu 
C7.H2.N2.F4.S1.Br8.		4.0	853.3342	-1.7 mmu 
C5.H7.N2.O4.P1.S1.Br8.		3.0	853.3331	-0.6 mmu 
C5.H4.N4.F2.S2.Br8.		5.0	853.3312	+1.3 mmu 
C6.H8.N2.F1.P1.S2.Br8.		5.0	853.3318	+0.7 mmu 
C7.H12.P2.S2.Br8.		5.0	853.3323	+0.2 mmu 
C7.H10.O2.S3.Br8.		5.0	853.3310	+1.5 mmu 
C14.H3.O1.Cl1.Br8.		9.0	853.3339	-1.4 mmu 
C7.N6.F1.Cl1.Br8.		6.0	853.3324	+0.1 mmu 
C6.H4.N2.O4.F1.Cl1.Br8.		1.0	853.3311	+1.4 mmu 
C4.H1.N6.O1.F2.Cl1.Br8.		2.0	853.3335	-1.0 mmu 
C9.H3.F4.Cl1.Br8.		2.0	853.3326	-0.1 mmu 
C8.H4.N4.P1.Cl1.Br8.		6.0	853.3329	-0.4 mmu 
C7.H8.O4.P1.Cl1.Br8.		1.0	853.3316	+0.9 mmu 
C5.H5.N4.O1.F1.P1.Cl1.Br8.		2.0	853.3341	-1.6 mmu 
C6.H7.N2.O3.S1.Cl1.Br8.		2.0	853.3333	-0.8 mmu 
C4.H9.N2.F2.S2.Cl1.Br8.		0.0	853.3331	-0.6 mmu 
C5.H13.F1.P1.S2.Cl1.Br8.		0.0	853.3336	-1.1 mmu 
C8.H8.O3.Cl2.Br8.		0.0	853.3318	+0.7 mmu 

6210 formulas found in    226 seconds by evaluating 10812001958 formulae.
RDBs are overloaded to maximum valence values (N=3,P=5,S=6).
