
Text      	Angiotensin_II__tyr_P__4_-LTQFT_1125.5016Da_1ppm_5iae
Composition	C:38-95 H:0-210 N:0-32 O:0-64 P:0-12 S:0-12 
Tol (mmu)	1.1
Measured	1125.5016
Charge  	+0.0
C85.H63.N3.		56.0	1125.5022	-0.6 mmu 
C70.H59.N15.O1.		49.0	1125.5027	-1.1 mmu 
C69.H63.N11.O5.		44.0	1125.5014	+0.2 mmu 
C54.H59.N23.O6.		37.0	1125.5019	-0.3 mmu 
C53.H63.N19.O10.		32.0	1125.5005	+1.1 mmu 
C72.H71.N1.O11.		38.0	1125.5027	-1.1 mmu 
C38.H59.N31.O11.		25.0	1125.5010	+0.6 mmu 
C56.H71.N9.O16.		26.0	1125.5019	-0.3 mmu 
C41.H67.N21.O17.		19.0	1125.5024	-0.8 mmu 
C55.H75.N5.O20.		21.0	1125.5005	+1.1 mmu 
C40.H71.N17.O21.		14.0	1125.5010	+0.6 mmu 
C43.H79.N7.O27.		8.0	1125.5024	-0.8 mmu 
C42.H83.N3.O31.		3.0	1125.5011	+0.5 mmu 
C64.H60.N19.P1.		46.0	1125.5017	-0.1 mmu 
C49.H56.N31.O1.P1.		39.0	1125.5022	-0.6 mmu 
C48.H60.N27.O5.P1.		34.0	1125.5008	+0.8 mmu 
C66.H72.N5.O10.P1.		35.0	1125.5017	-0.1 mmu 
C51.H68.N17.O11.P1.		28.0	1125.5022	-0.6 mmu 
C50.H72.N13.O15.P1.		23.0	1125.5008	+0.8 mmu 
C53.H80.N3.O21.P1.		17.0	1125.5022	-0.6 mmu 
C38.H76.N15.O22.P1.		10.0	1125.5027	-1.1 mmu 
C76.H73.N1.O4.P2.		44.0	1125.5015	+0.1 mmu 
C61.H69.N13.O5.P2.		37.0	1125.5020	-0.4 mmu 
C46.H65.N25.O6.P2.		30.0	1125.5025	-0.9 mmu 
C60.H73.N9.O9.P2.		32.0	1125.5006	+1.0 mmu 
C45.H69.N21.O10.P2.		25.0	1125.5012	+0.4 mmu 
C48.H77.N11.O16.P2.		19.0	1125.5025	-0.9 mmu 
C47.H81.N7.O20.P2.		14.0	1125.5012	+0.4 mmu 
C56.H66.N21.P3.		39.0	1125.5023	-0.7 mmu 
C55.H70.N17.O4.P3.		34.0	1125.5010	+0.6 mmu 
C40.H66.N29.O5.P3.		27.0	1125.5015	+0.1 mmu 
C58.H78.N7.O10.P3.		28.0	1125.5023	-0.7 mmu 
C57.H82.N3.O14.P3.		23.0	1125.5010	+0.6 mmu 
C42.H78.N15.O15.P3.		16.0	1125.5015	+0.1 mmu 
C44.H90.N1.O25.P3.		5.0	1125.5015	+0.1 mmu 
C68.H79.N3.O4.P4.		37.0	1125.5021	-0.5 mmu 
C53.H75.N15.O5.P4.		30.0	1125.5026	-1.0 mmu 
C52.H79.N11.O9.P4.		25.0	1125.5013	+0.3 mmu 
C55.H87.N1.O15.P4.		19.0	1125.5026	-1.0 mmu 
C39.H87.N9.O20.P4.		7.0	1125.5018	-0.2 mmu 
C62.H80.N7.O3.P5.		34.0	1125.5011	+0.5 mmu 
C47.H76.N19.O4.P5.		27.0	1125.5016	+0.0 mmu 
C49.H88.N5.O14.P5.		16.0	1125.5016	+0.0 mmu 
C41.H77.N23.O3.P6.		24.0	1125.5005	+1.1 mmu 
C60.H85.N5.O4.P6.		30.0	1125.5027	-1.1 mmu 
C59.H89.N1.O8.P6.		25.0	1125.5014	+0.2 mmu 
C44.H85.N13.O9.P6.		18.0	1125.5019	-0.3 mmu 
C43.H89.N9.O13.P6.		13.0	1125.5006	+1.0 mmu 
C54.H86.N9.O3.P7.		27.0	1125.5017	-0.1 mmu 
C39.H82.N21.O4.P7.		20.0	1125.5022	-0.6 mmu 
C38.H86.N17.O8.P7.		15.0	1125.5009	+0.7 mmu 
C41.H94.N7.O14.P7.		9.0	1125.5022	-0.6 mmu 
C40.H98.N3.O18.P7.		4.0	1125.5009	+0.7 mmu 
C48.H87.N13.O2.P8.		24.0	1125.5007	+0.9 mmu 
C51.H95.N3.O8.P8.		18.0	1125.5020	-0.4 mmu 
C38.H103.N1.O19.P8.		0.0	1125.5025	-0.9 mmu 
C46.H92.N11.O3.P9.		20.0	1125.5023	-0.7 mmu 
C45.H96.N7.O7.P9.		15.0	1125.5010	+0.6 mmu 
C55.H97.N3.O1.P10.		24.0	1125.5008	+0.8 mmu 
C40.H93.N15.O2.P10.		17.0	1125.5013	+0.3 mmu 
C43.H101.N5.O8.P10.		11.0	1125.5026	-1.0 mmu 
C42.H105.N1.O12.P10.		6.0	1125.5013	+0.3 mmu 
C53.H102.N1.O2.P11.		20.0	1125.5024	-0.8 mmu 
C47.H103.N5.O1.P12.		17.0	1125.5014	+0.2 mmu 
C77.H67.N5.O2.S1.		49.0	1125.5015	+0.1 mmu 
C62.H63.N17.O3.S1.		42.0	1125.5020	-0.4 mmu 
C47.H59.N29.O4.S1.		35.0	1125.5026	-1.0 mmu 
C61.H67.N13.O7.S1.		37.0	1125.5007	+0.9 mmu 
C46.H63.N25.O8.S1.		30.0	1125.5012	+0.4 mmu 
C64.H75.N3.O13.S1.		31.0	1125.5021	-0.5 mmu 
C49.H71.N15.O14.S1.		24.0	1125.5026	-1.0 mmu 
C48.H75.N11.O18.S1.		19.0	1125.5012	+0.4 mmu 
C51.H83.N1.O24.S1.		13.0	1125.5026	-1.0 mmu 
C71.H68.N9.O1.P1.S1.		46.0	1125.5005	+1.1 mmu 
C56.H64.N21.O2.P1.S1.		39.0	1125.5010	+0.6 mmu 
C59.H72.N11.O8.P1.S1.		33.0	1125.5024	-0.8 mmu 
C58.H76.N7.O12.P1.S1.		28.0	1125.5010	+0.6 mmu 
C43.H72.N19.O13.P1.S1.		21.0	1125.5015	+0.1 mmu 
C45.H84.N5.O23.P1.S1.		10.0	1125.5015	+0.1 mmu 
C69.H73.N7.O2.P2.S1.		42.0	1125.5022	-0.6 mmu 
C54.H69.N19.O3.P2.S1.		35.0	1125.5027	-1.1 mmu 
C68.H77.N3.O6.P2.S1.		37.0	1125.5008	+0.8 mmu 
C53.H73.N15.O7.P2.S1.		30.0	1125.5013	+0.3 mmu 
C38.H69.N27.O8.P2.S1.		23.0	1125.5018	-0.2 mmu 
C56.H81.N5.O13.P2.S1.		24.0	1125.5027	-1.1 mmu 
C55.H85.N1.O17.P2.S1.		19.0	1125.5013	+0.3 mmu 
C40.H81.N13.O18.P2.S1.		12.0	1125.5018	-0.2 mmu 
C39.H85.N9.O22.P2.S1.		7.0	1125.5005	+1.1 mmu 
C63.H74.N11.O1.P3.S1.		39.0	1125.5011	+0.5 mmu 
C48.H70.N23.O2.P3.S1.		32.0	1125.5016	-0.0 mmu 
C66.H82.N1.O7.P3.S1.		33.0	1125.5025	-0.9 mmu 
C50.H82.N9.O12.P3.S1.		21.0	1125.5016	-0.0 mmu 
C42.H71.N27.O1.P4.S1.		29.0	1125.5006	+1.0 mmu 
C60.H83.N5.O6.P4.S1.		30.0	1125.5015	+0.1 mmu 
C45.H79.N17.O7.P4.S1.		23.0	1125.5020	-0.4 mmu 
C44.H83.N13.O11.P4.S1.		18.0	1125.5006	+1.0 mmu 
C47.H91.N3.O17.P4.S1.		12.0	1125.5020	-0.4 mmu 
C70.H84.N1.P5.S1.		39.0	1125.5013	+0.3 mmu 
C55.H80.N13.O1.P5.S1.		32.0	1125.5018	-0.2 mmu 
C40.H76.N25.O2.P5.S1.		25.0	1125.5023	-0.7 mmu 
C39.H80.N21.O6.P5.S1.		20.0	1125.5009	+0.7 mmu 
C42.H88.N11.O12.P5.S1.		14.0	1125.5023	-0.7 mmu 
C41.H92.N7.O16.P5.S1.		9.0	1125.5009	+0.7 mmu 
C49.H81.N17.P6.S1.		29.0	1125.5007	+0.9 mmu 
C52.H89.N7.O6.P6.S1.		23.0	1125.5021	-0.5 mmu 
C51.H93.N3.O10.P6.S1.		18.0	1125.5007	+0.9 mmu 
C39.H97.N5.O17.P6.S1.		5.0	1125.5026	-1.0 mmu 
C38.H101.N1.O21.P6.S1.		0.0	1125.5012	+0.4 mmu 
C62.H90.N3.P7.S1.		32.0	1125.5019	-0.3 mmu 
C47.H86.N15.O1.P7.S1.		25.0	1125.5024	-0.8 mmu 
C46.H90.N11.O5.P7.S1.		20.0	1125.5010	+0.6 mmu 
C49.H98.N1.O11.P7.S1.		14.0	1125.5024	-0.8 mmu 
C41.H87.N19.P8.S1.		22.0	1125.5013	+0.3 mmu 
C44.H95.N9.O6.P8.S1.		16.0	1125.5027	-1.1 mmu 
C43.H99.N5.O10.P8.S1.		11.0	1125.5014	+0.2 mmu 
C54.H96.N5.P9.S1.		25.0	1125.5025	-0.9 mmu 
C53.H100.N1.O4.P9.S1.		20.0	1125.5012	+0.4 mmu 
C38.H96.N13.O5.P9.S1.		13.0	1125.5017	-0.1 mmu 
C45.H106.N3.O4.P11.S1.		13.0	1125.5018	-0.2 mmu 
C39.H107.N7.O3.P12.S1.		10.0	1125.5007	+0.9 mmu 
C70.H67.N11.S2.		47.0	1125.5022	-0.6 mmu 
C69.H71.N7.O4.S2.		42.0	1125.5009	+0.7 mmu 
C54.H67.N19.O5.S2.		35.0	1125.5014	+0.2 mmu 
C39.H63.N31.O6.S2.		28.0	1125.5019	-0.3 mmu 
C38.H67.N27.O10.S2.		23.0	1125.5006	+1.0 mmu 
C56.H79.N5.O15.S2.		24.0	1125.5014	+0.2 mmu 
C41.H75.N17.O16.S2.		17.0	1125.5019	-0.3 mmu 
C40.H79.N13.O20.S2.		12.0	1125.5006	+1.0 mmu 
C43.H87.N3.O26.S2.		6.0	1125.5019	-0.3 mmu 
C49.H64.N27.P1.S2.		37.0	1125.5017	-0.1 mmu 
C67.H76.N5.O5.P1.S2.		38.0	1125.5025	-0.9 mmu 
C66.H80.N1.O9.P1.S2.		33.0	1125.5012	+0.4 mmu 
C51.H76.N13.O10.P1.S2.		26.0	1125.5017	-0.1 mmu 
C38.H84.N11.O21.P1.S2.		8.0	1125.5022	-0.6 mmu 
C61.H77.N9.O4.P2.S2.		35.0	1125.5015	+0.1 mmu 
C46.H73.N21.O5.P2.S2.		28.0	1125.5020	-0.4 mmu 
C45.H77.N17.O9.P2.S2.		23.0	1125.5007	+0.9 mmu 
C48.H85.N7.O15.P2.S2.		17.0	1125.5020	-0.4 mmu 
C47.H89.N3.O19.P2.S2.		12.0	1125.5007	+0.9 mmu 
C41.H70.N29.P3.S2.		30.0	1125.5023	-0.7 mmu 
C55.H78.N13.O3.P3.S2.		32.0	1125.5005	+1.1 mmu 
C40.H74.N25.O4.P3.S2.		25.0	1125.5010	+0.6 mmu 
C58.H86.N3.O9.P3.S2.		26.0	1125.5018	-0.2 mmu 
C43.H82.N15.O10.P3.S2.		19.0	1125.5023	-0.7 mmu 
C42.H86.N11.O14.P3.S2.		14.0	1125.5010	+0.6 mmu 
C45.H94.N1.O20.P3.S2.		8.0	1125.5023	-0.7 mmu 
C53.H83.N11.O4.P4.S2.		28.0	1125.5021	-0.5 mmu 
C38.H79.N23.O5.P4.S2.		21.0	1125.5026	-1.0 mmu 
C52.H87.N7.O8.P4.S2.		23.0	1125.5008	+0.8 mmu 
C40.H91.N9.O15.P4.S2.		10.0	1125.5027	-1.1 mmu 
C39.H95.N5.O19.P4.S2.		5.0	1125.5013	+0.3 mmu 
C62.H88.N3.O2.P5.S2.		32.0	1125.5006	+1.0 mmu 
C47.H84.N15.O3.P5.S2.		25.0	1125.5011	+0.5 mmu 
C50.H92.N5.O9.P5.S2.		19.0	1125.5025	-0.9 mmu 
C49.H96.N1.O13.P5.S2.		14.0	1125.5011	+0.5 mmu 
C60.H93.N1.O3.P6.S2.		28.0	1125.5023	-0.7 mmu 
C44.H93.N9.O8.P6.S2.		16.0	1125.5014	+0.2 mmu 
C54.H94.N5.O2.P7.S2.		25.0	1125.5012	+0.4 mmu 
C39.H90.N17.O3.P7.S2.		18.0	1125.5017	-0.1 mmu 
C41.H102.N3.O13.P7.S2.		7.0	1125.5017	-0.1 mmu 
C46.H100.N7.O2.P9.S2.		18.0	1125.5018	-0.2 mmu 
C45.H104.N3.O6.P9.S2.		13.0	1125.5005	+1.1 mmu 
C40.H101.N11.O1.P10.S2.		15.0	1125.5008	+0.8 mmu 
C43.H109.N1.O7.P10.S2.		9.0	1125.5022	-0.6 mmu 
C38.H106.N9.O2.P11.S2.		11.0	1125.5025	-0.9 mmu 
C47.H111.N1.P12.S2.		15.0	1125.5009	+0.7 mmu 
C77.H75.N1.O1.S3.		47.0	1125.5011	+0.5 mmu 
C62.H71.N13.O2.S3.		40.0	1125.5016	+0.0 mmu 
C47.H67.N25.O3.S3.		33.0	1125.5021	-0.5 mmu 
C46.H71.N21.O7.S3.		28.0	1125.5007	+0.9 mmu 
C49.H79.N11.O13.S3.		22.0	1125.5021	-0.5 mmu 
C48.H83.N7.O17.S3.		17.0	1125.5008	+0.8 mmu 
C56.H72.N17.O1.P1.S3.		37.0	1125.5005	+1.1 mmu 
C41.H68.N29.O2.P1.S3.		30.0	1125.5011	+0.5 mmu 
C59.H80.N7.O7.P1.S3.		31.0	1125.5019	-0.3 mmu 
C44.H76.N19.O8.P1.S3.		24.0	1125.5024	-0.8 mmu 
C58.H84.N3.O11.P1.S3.		26.0	1125.5006	+1.0 mmu 
C43.H80.N15.O12.P1.S3.		19.0	1125.5011	+0.5 mmu 
C46.H88.N5.O18.P1.S3.		13.0	1125.5024	-0.8 mmu 
C45.H92.N1.O22.P1.S3.		8.0	1125.5011	+0.5 mmu 
C69.H81.N3.O1.P2.S3.		40.0	1125.5017	-0.1 mmu 
C54.H77.N15.O2.P2.S3.		33.0	1125.5022	-0.6 mmu 
C39.H73.N27.O3.P2.S3.		26.0	1125.5027	-1.1 mmu 
C53.H81.N11.O6.P2.S3.		28.0	1125.5009	+0.7 mmu 
C38.H77.N23.O7.P2.S3.		21.0	1125.5014	+0.2 mmu 
C56.H89.N1.O12.P2.S3.		22.0	1125.5022	-0.6 mmu 
C41.H85.N13.O13.P2.S3.		15.0	1125.5027	-1.1 mmu 
C40.H89.N9.O17.P2.S3.		10.0	1125.5014	+0.2 mmu 
C63.H82.N7.P3.S3.		37.0	1125.5007	+0.9 mmu 
C48.H78.N19.O1.P3.S3.		30.0	1125.5012	+0.4 mmu 
C51.H86.N9.O7.P3.S3.		24.0	1125.5025	-0.9 mmu 
C50.H90.N5.O11.P3.S3.		19.0	1125.5012	+0.4 mmu 
C61.H87.N5.O1.P4.S3.		33.0	1125.5023	-0.7 mmu 
C60.H91.N1.O5.P4.S3.		28.0	1125.5010	+0.6 mmu 
C45.H87.N13.O6.P4.S3.		21.0	1125.5015	+0.1 mmu 
C55.H88.N9.P5.S3.		30.0	1125.5013	+0.3 mmu 
C40.H84.N21.O1.P5.S3.		23.0	1125.5018	-0.2 mmu 
C42.H96.N7.O11.P5.S3.		12.0	1125.5018	-0.2 mmu 
C52.H97.N3.O5.P6.S3.		21.0	1125.5016	-0.0 mmu 
C39.H105.N1.O16.P6.S3.		3.0	1125.5021	-0.5 mmu 
C47.H94.N11.P7.S3.		23.0	1125.5019	-0.3 mmu 
C46.H98.N7.O4.P7.S3.		18.0	1125.5006	+1.0 mmu 
C44.H103.N5.O5.P8.S3.		14.0	1125.5022	-0.6 mmu 
C43.H107.N1.O9.P8.S3.		9.0	1125.5009	+0.7 mmu 
C39.H100.N13.P9.S3.		16.0	1125.5025	-0.9 mmu 
C38.H104.N9.O4.P9.S3.		11.0	1125.5012	+0.4 mmu 
C55.H71.N19.S4.		38.0	1125.5023	-0.7 mmu 
C54.H75.N15.O4.S4.		33.0	1125.5009	+0.7 mmu 
C39.H71.N27.O5.S4.		26.0	1125.5014	+0.2 mmu 
C57.H83.N5.O10.S4.		27.0	1125.5023	-0.7 mmu 
C56.H87.N1.O14.S4.		22.0	1125.5009	+0.7 mmu 
C41.H83.N13.O15.S4.		15.0	1125.5014	+0.2 mmu 
C67.H84.N1.O4.P1.S4.		36.0	1125.5021	-0.5 mmu 
C52.H80.N13.O5.P1.S4.		29.0	1125.5026	-1.0 mmu 
C51.H84.N9.O9.P1.S4.		24.0	1125.5012	+0.4 mmu 
C38.H92.N7.O20.P1.S4.		6.0	1125.5018	-0.2 mmu 
C61.H85.N5.O3.P2.S4.		33.0	1125.5010	+0.6 mmu 
C46.H81.N17.O4.P2.S4.		26.0	1125.5015	+0.1 mmu 
C48.H93.N3.O14.P2.S4.		15.0	1125.5016	+0.0 mmu 
C40.H82.N21.O3.P3.S4.		23.0	1125.5005	+1.1 mmu 
C59.H90.N3.O4.P3.S4.		29.0	1125.5027	-1.1 mmu 
C43.H90.N11.O9.P3.S4.		17.0	1125.5019	-0.3 mmu 
C42.H94.N7.O13.P3.S4.		12.0	1125.5005	+1.1 mmu 
C50.H100.N1.O8.P5.S4.		17.0	1125.5020	-0.4 mmu 
C54.H102.N1.O1.P7.S4.		23.0	1125.5008	+0.8 mmu 
C42.H106.N3.O8.P7.S4.		10.0	1125.5026	-1.0 mmu 
C46.H108.N3.O1.P9.S4.		16.0	1125.5014	+0.2 mmu 
C62.H79.N9.O1.S5.		38.0	1125.5011	+0.5 mmu 
C47.H75.N21.O2.S5.		31.0	1125.5016	-0.0 mmu 
C49.H87.N7.O12.S5.		20.0	1125.5016	-0.0 mmu 
C41.H76.N25.O1.P1.S5.		28.0	1125.5006	+1.0 mmu 
C59.H88.N3.O6.P1.S5.		29.0	1125.5014	+0.2 mmu 
C44.H84.N15.O7.P1.S5.		22.0	1125.5019	-0.3 mmu 
C43.H88.N11.O11.P1.S5.		17.0	1125.5006	+1.0 mmu 
C46.H96.N1.O17.P1.S5.		11.0	1125.5019	-0.3 mmu 
C54.H85.N11.O1.P2.S5.		31.0	1125.5017	-0.1 mmu 
C39.H81.N23.O2.P2.S5.		24.0	1125.5022	-0.6 mmu 
C38.H85.N19.O6.P2.S5.		19.0	1125.5009	+0.7 mmu 
C41.H93.N9.O12.P2.S5.		13.0	1125.5022	-0.6 mmu 
C40.H97.N5.O16.P2.S5.		8.0	1125.5009	+0.7 mmu 
C48.H86.N15.P3.S5.		28.0	1125.5007	+0.9 mmu 
C51.H94.N5.O6.P3.S5.		22.0	1125.5020	-0.4 mmu 
C50.H98.N1.O10.P3.S5.		17.0	1125.5007	+0.9 mmu 
C38.H102.N3.O17.P3.S5.		4.0	1125.5026	-1.0 mmu 
C61.H95.N1.P4.S5.		31.0	1125.5019	-0.3 mmu 
C42.H104.N3.O10.P5.S5.		10.0	1125.5013	+0.3 mmu 
C53.H101.N3.P6.S5.		24.0	1125.5025	-0.9 mmu 
C44.H111.N1.O4.P8.S5.		12.0	1125.5018	-0.2 mmu 
C40.H75.N27.S6.		29.0	1125.5023	-0.7 mmu 
C39.H79.N23.O4.S6.		24.0	1125.5010	+0.6 mmu 
C57.H91.N1.O9.S6.		25.0	1125.5018	-0.2 mmu 
C42.H87.N13.O10.S6.		18.0	1125.5023	-0.7 mmu 
C41.H91.N9.O14.S6.		13.0	1125.5010	+0.6 mmu 
C52.H88.N9.O4.P1.S6.		27.0	1125.5021	-0.5 mmu 
C51.H92.N5.O8.P1.S6.		22.0	1125.5008	+0.8 mmu 
C39.H96.N7.O15.P1.S6.		9.0	1125.5026	-1.0 mmu 
C38.H100.N3.O19.P1.S6.		4.0	1125.5013	+0.3 mmu 
C61.H93.N1.O2.P2.S6.		31.0	1125.5006	+1.0 mmu 
C46.H89.N13.O3.P2.S6.		24.0	1125.5011	+0.5 mmu 
C49.H97.N3.O9.P2.S6.		18.0	1125.5024	-0.8 mmu 
C43.H98.N7.O8.P3.S6.		15.0	1125.5014	+0.2 mmu 
C53.H99.N3.O2.P4.S6.		24.0	1125.5012	+0.4 mmu 
C40.H107.N1.O13.P4.S6.		6.0	1125.5017	-0.1 mmu 
C44.H109.N1.O6.P6.S6.		12.0	1125.5005	+1.1 mmu 
C62.H87.N5.S7.		36.0	1125.5006	+1.0 mmu 
C47.H83.N17.O1.S7.		29.0	1125.5011	+0.5 mmu 
C50.H91.N7.O7.S7.		23.0	1125.5025	-0.9 mmu 
C49.H95.N3.O11.S7.		18.0	1125.5012	+0.4 mmu 
C60.H92.N3.O1.P1.S7.		32.0	1125.5023	-0.7 mmu 
C44.H92.N11.O6.P1.S7.		20.0	1125.5015	+0.1 mmu 
C54.H93.N7.P2.S7.		29.0	1125.5013	+0.3 mmu 
C39.H89.N19.O1.P2.S7.		22.0	1125.5018	-0.2 mmu 
C41.H101.N5.O11.P2.S7.		11.0	1125.5018	-0.2 mmu 
C51.H102.N1.O5.P3.S7.		20.0	1125.5016	+0.0 mmu 
C43.H108.N3.O5.P5.S7.		13.0	1125.5022	-0.6 mmu 
C39.H87.N19.O3.S8.		22.0	1125.5005	+1.1 mmu 
C58.H95.N1.O4.S8.		28.0	1125.5027	-1.1 mmu 
C42.H95.N9.O9.S8.		16.0	1125.5018	-0.2 mmu 
C41.H99.N5.O13.S8.		11.0	1125.5005	+1.1 mmu 
C52.H96.N5.O3.P1.S8.		25.0	1125.5016	-0.0 mmu 
C39.H104.N3.O14.P1.S8.		7.0	1125.5022	-0.6 mmu 
C46.H97.N9.O2.P2.S8.		22.0	1125.5006	+1.0 mmu 
C44.H102.N7.O3.P3.S8.		18.0	1125.5023	-0.7 mmu 
C43.H106.N3.O7.P3.S8.		13.0	1125.5009	+0.7 mmu 
C41.H111.N1.O8.P4.S8.		9.0	1125.5026	-1.0 mmu 
C45.H113.N1.O1.P6.S8.		15.0	1125.5014	+0.2 mmu 
C47.H91.N13.S9.		27.0	1125.5007	+0.9 mmu 
C50.H99.N3.O6.S9.		21.0	1125.5020	-0.4 mmu 
C45.H96.N11.O1.P1.S9.		23.0	1125.5023	-0.7 mmu 
C44.H100.N7.O5.P1.S9.		18.0	1125.5010	+0.6 mmu 
C39.H97.N15.P2.S9.		20.0	1125.5013	+0.3 mmu 
C42.H105.N5.O6.P2.S9.		14.0	1125.5026	-1.0 mmu 
C41.H109.N1.O10.P2.S9.		9.0	1125.5013	+0.3 mmu 
C52.H106.N1.P3.S9.		23.0	1125.5024	-0.8 mmu 
C43.H99.N9.O4.S10.		19.0	1125.5027	-1.1 mmu 
C42.H103.N5.O8.S10.		14.0	1125.5014	+0.2 mmu 
C52.H104.N1.O2.P1.S10.		23.0	1125.5012	+0.4 mmu 
C44.H110.N3.O2.P3.S10.		16.0	1125.5018	-0.2 mmu 
C38.H9.P11.S10.		71.0	1125.5025	-0.9 mmu 
C45.H104.N7.P1.S11.		21.0	1125.5019	-0.3 mmu 
C44.H108.N3.O4.P1.S11.		16.0	1125.5005	+1.1 mmu 
C42.H113.N1.O5.P2.S11.		12.0	1125.5022	-0.6 mmu 
C43.H107.N5.O3.S12.		17.0	1125.5022	-0.6 mmu 
C42.H111.N1.O7.S12.		12.0	1125.5009	+0.7 mmu 
C45.O1.P6.S12.		79.0	1125.5023	-0.7 mmu 

305 formulas found in      2 seconds by evaluating 63631451 formulae.
RDBs are overloaded to maximum valence values (N=3,P=5,S=6).
