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EPY

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
SC1Asing1.81Å1.48Å
SC1Csing1.81Å1.50Å
C2AC3Asing1.51Å1.54Å
C2AC1Asing1.53Å1.37Å
C2AN1Bsing1.47Å1.41Å
C2AH3A1sing1.09Å1.11Å
C3AN4Asing1.35Å1.31Å
C3AO3Adoub1.21Å1.22Å
N4AC5Asing1.47Å1.49Å
N4AHNA4sing0.97Å1.02Å
C1AH1A1sing1.09Å1.12Å
C1AH1A2sing1.09Å1.12Å
C5AC6Asing1.51Å1.48Å
C5AH5A1sing1.09Å1.11Å
C5AH5A2sing1.09Å1.11Å
C6AO6Asing1.34Å1.23Å
C6AO7Adoub1.21Å1.26Å
O6AHOA6sing0.97Å0.95Å
O6BC6Bsing1.34Å1.29Å
O6BHOB6sing0.97Å0.95Å
C6BO7Bdoub1.21Å1.20Å
C6BC5Bsing1.51Å1.58Å
C5BN5Bsing1.47Å1.55Å
C5BC4Bsing1.53Å1.55Å
C5BH5B1sing1.09Å1.11Å
N5BHN51sing1.01Å1.02Å
N5BHN52sing1.01Å1.02Å
C4BC3Bsing1.53Å1.53Å
C4BH4B1sing1.09Å1.11Å
C4BH4B2sing1.09Å1.12Å
C3BC2Bsing1.51Å1.54Å
C3BH3B1sing1.09Å1.12Å
C3BH3B2sing1.09Å1.11Å
C2BO2Bdoub1.21Å1.12Å
C2BN1Bsing1.35Å1.32Å
N1BHNB1sing0.97Å1.02Å
C1CC3Csing1.53Å1.49Å
C1CC2Csing1.53Å1.51Å
C1CH1C1sing1.09Å1.12Å
C3CO2Csing1.43Å1.40Å
C3CH3C1sing1.09Å1.12Å
C3CH3C2sing1.09Å1.12Å
O2CHOC2sing0.97Å0.95Å
C2CO3Csing1.43Å1.41Å
C2CH2C1sing1.09Å1.12Å
C2CH2C2sing1.09Å1.11Å
O3CC4Csing1.36Å1.34Å
C4CC9Cdoub1.39Å1.49ÅAromatic
C4CC5Csing1.39Å1.41ÅAromatic
C9CC8Csing1.38Å1.32ÅAromatic
C9CH9C1sing1.08Å1.10Å
C8CC7Cdoub1.38Å1.42ÅAromatic
C8CH8C1sing1.08Å1.10Å
C7CC6Csing1.38Å1.41ÅAromatic
C7CN8Csing1.48Å1.36Å
C6CC5Cdoub1.38Å1.40ÅAromatic
C6CH6C1sing1.08Å1.10Å
C5CH5C1sing1.08Å1.10Å
N8CO8Csing1.22Å1.23Å
N8CO9Cdoub1.22Å1.21Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1ASC1C107.4°100.0°
SC1AC2A128.8°109.5°
SC1AH1A1105.4°109.4°
SC1AH1A2105.4°109.4°
SC1CC3C106.0°109.4°
SC1CC2C105.2°109.5°
SC1CH1C1116.4°109.4°
C3AC2AC1A106.0°109.5°
C3AC2AN1B116.4°109.5°
C3AC2AH3A1104.4°109.4°
C2AC3AN4A119.0°120.0°
C2AC3AO3A115.6°120.0°
C1AC2AN1B98.4°109.5°
C1AC2AH3A1120.9°109.5°
C2AC1AH1A1105.5°109.5°
C2AC1AH1A2105.5°109.5°
N1BC2AH3A1111.3°109.5°
C2AN1BC2B129.5°120.0°
C2AN1BHNB1119.3°120.0°
N4AC3AO3A121.9°120.0°
C3AN4AC5A124.0°120.0°
C3AN4AHNA4111.1°120.0°
C5AN4AHNA4124.9°120.0°
N4AC5AC6A113.6°109.5°
N4AC5AH5A1110.7°109.4°
N4AC5AH5A2110.7°109.5°
H1A1C1AH1A2103.8°109.5°
C6AC5AH5A1110.8°109.5°
C6AC5AH5A2110.7°109.5°
C5AC6AO6A120.9°120.0°
C5AC6AO7A121.2°120.0°
H5A1C5AH5A299.6°109.4°
O6AC6AO7A117.9°120.0°
C6AO6AHOA6120.9°120.0°
C6BO6BHOB6122.0°120.0°
O6BC6BO7B122.0°120.1°
O6BC6BC5B118.0°119.9°
O7BC6BC5B120.0°120.0°
C6BC5BN5B107.9°109.4°
C6BC5BC4B114.3°109.5°
C6BC5BH5B1106.5°109.5°
N5BC5BC4B107.2°109.5°
N5BC5BH5B1113.8°109.5°
C5BN5BHN51108.0°106.7°
C5BN5BHN52112.7°106.7°
C4BC5BH5B1107.3°109.5°
C5BC4BC3B119.1°109.5°
C5BC4BH4B1108.7°109.5°
C5BC4BH4B2108.8°109.5°
HN51N5BHN52112.8°106.7°
C3BC4BH4B1108.8°109.5°
C3BC4BH4B2108.7°109.4°
C4BC3BC2B112.7°109.5°
C4BC3BH3B1111.0°109.5°
C4BC3BH3B2111.0°109.4°
H4B1C4BH4B2101.3°109.5°
C2BC3BH3B1111.0°109.5°
C2BC3BH3B2111.0°109.5°
C3BC2BO2B126.8°120.0°
C3BC2BN1B116.0°120.0°
H3B1C3BH3B299.3°109.5°
O2BC2BN1B117.1°120.0°
C2BN1BHNB1111.2°120.1°
C3CC1CC2C115.0°109.5°
C3CC1CH1C1106.8°109.5°
C1CC3CO2C120.5°109.5°
C1CC3CH3C1108.3°109.5°
C1CC3CH3C2108.3°109.5°
C2CC1CH1C1107.8°109.5°
C1CC2CO3C116.1°109.4°
C1CC2CH2C1109.8°109.5°
C1CC2CH2C2109.8°109.5°
O2CC3CH3C1108.3°109.4°
O2CC3CH3C2108.3°109.5°
C3CO2CHOC2120.5°106.8°
H3C1C3CH3C2101.6°109.5°
O3CC2CH2C1109.8°109.5°
O3CC2CH2C2109.8°109.4°
C2CO3CC4C121.9°106.8°
H2C1C2CH2C2100.4°109.5°
O3CC4CC9C123.3°120.0°
O3CC4CC5C120.6°120.1°
C9CC4CC5C116.1°119.9°
C4CC9CC8C122.9°119.9°
C4CC9CH9C1124.9°120.0°
C4CC5CC6C120.5°120.0°
C4CC5CH5C1119.9°120.0°
C8CC9CH9C1112.3°120.1°
C9CC8CC7C120.2°120.1°
C9CC8CH8C1116.0°119.9°
C7CC8CH8C1123.7°120.0°
C8CC7CC6C119.6°120.1°
C8CC7CN8C120.5°119.9°
C6CC7CN8C119.9°120.0°
C7CC6CC5C120.7°120.1°
C7CC6CH6C1119.8°120.0°
C7CN8CO8C122.0°120.0°
C7CN8CO9C119.5°119.9°
C5CC6CH6C1119.5°120.0°
C6CC5CH5C1119.5°120.0°
O8CN8CO9C118.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
SC1AC2AC3A167.8°180.0°
SC1AC2AH1A1125.2°120.0°
SC1AC2AH1A2125.2°120.0°
SC1AC2AN1B71.6°60.0°
SC1AC2AH3A149.5°60.0°
SC1AH1A1H1A2110.6°119.9°
C1ASC1CC3C118.9°65.0°
C1ASC1CC2C3.3°175.0°
C1ASC1CH1C1122.5°55.0°
C1CSC1AC2A68.2°180.0°
C1CSC1AH1A157.1°60.0°
C1CSC1AH1A2166.5°60.0°
SC1CC3CC2C115.7°120.0°
SC1CC3CH1C1124.8°120.0°
SC1CC2CH1C1124.8°120.0°
SC1CC3CO2C155.0°65.0°
SC1CC3CH3C129.7°175.0°
SC1CC3CH3C279.7°55.0°
SC1CC2CO3C152.2°175.0°
SC1CC2CH2C126.9°55.0°
SC1CC2CH2C282.6°65.1°
C3AC2AC1AN1B120.7°120.0°
C3AC2AC1AH3A1118.3°120.0°
C3AC2AN1BH3A1119.5°120.0°
C2AC3AN4AO3A158.2°179.9°
C2AC3AN4AC5A74.2°180.0°
C2AC3AN4AHNA4105.7°0.0°
C3AC2AC1AH1A142.5°60.0°
C3AC2AC1AH1A267.0°60.0°
C3AC2AN1BC2B169.2°85.0°
C3AC2AN1BHNB110.8°95.0°
C1AC2AN1BH3A1127.9°120.0°
C1AC2AC3AN4A154.9°60.0°
C1AC2AC3AO3A4.6°120.0°
C2AC1AH1A1H1A2110.7°120.1°
C1AC2AN1BC2B78.2°155.0°
C1AC2AN1BHNB1101.8°25.0°
N1BC2AC3AN4A46.8°180.0°
N1BC2AC3AO3A112.8°0.0°
N1BC2AC1AH1A1163.2°60.0°
N1BC2AC1AH1A253.7°180.0°
C2AN1BC2BC3B158.1°180.0°
C2AN1BC2BO2B26.0°0.0°
C2AN1BC2BHNB1179.9°180.0°
H3A1C2AC3AN4A76.4°60.0°
H3A1C2AC3AO3A124.1°120.1°
H3A1C2AC1AH1A175.7°180.0°
H3A1C2AC1AH1A2174.8°59.9°
H3A1C2AN1BC2B49.7°35.0°
H3A1C2AN1BHNB1130.3°145.0°
C3AN4AC5AHNA4180.0°179.9°
C3AN4AC5AC6A153.9°180.0°
C3AN4AC5AH5A180.8°60.0°
C3AN4AC5AH5A228.7°59.9°
O3AC3AN4AC5A127.6°0.1°
O3AC3AN4AHNA452.5°180.0°
N4AC5AC6AH5A1125.2°120.0°
N4AC5AC6AH5A2125.2°120.0°
N4AC5AH5A1H5A2116.5°120.0°
N4AC5AC6AO6A0.1°180.0°
N4AC5AC6AO7A180.0°0.0°
HNA4N4AC5AC6A26.1°0.0°
HNA4N4AC5AH5A199.2°120.1°
HNA4N4AC5AH5A2151.4°120.0°
C6AC5AH5A1H5A2116.6°120.0°
C5AC6AO6AO7A179.9°180.0°
C5AC6AO6AHOA6180.0°180.0°
H5A1C5AC6AO6A125.3°60.0°
H5A1C5AC6AO7A54.8°120.0°
H5A2C5AC6AO6A125.1°60.0°
H5A2C5AC6AO7A54.7°120.0°
O7AC6AO6AHOA60.1°0.0°
O6BC6BO7BC5B179.2°180.0°
O6BC6BC5BN5B4.7°160.0°
O6BC6BC5BC4B114.4°80.0°
O6BC6BC5BH5B1127.2°40.0°
HOB6O6BC6BO7B180.0°0.0°
HOB6O6BC6BC5B0.7°180.0°
O7BC6BC5BN5B174.6°20.0°
O7BC6BC5BC4B66.3°100.0°
O7BC6BC5BH5B152.0°139.9°
C6BC5BN5BC4B123.5°120.0°
C6BC5BN5BH5B1118.0°120.0°
C6BC5BC4BH5B1117.9°120.0°
C6BC5BN5BHN51180.0°60.0°
C6BC5BN5BHN5254.7°173.8°
C6BC5BC4BC3B88.5°175.0°
C6BC5BC4BH4B1146.2°65.0°
C6BC5BC4BH4B236.8°55.1°
N5BC5BC4BH5B1122.6°120.0°
C5BN5BHN51HN52125.2°113.8°
N5BC5BC4BC3B152.0°65.0°
N5BC5BC4BH4B126.7°55.0°
N5BC5BC4BH4B282.8°175.0°
C4BC5BN5BHN5156.5°60.0°
C4BC5BN5BHN5268.8°53.8°
C5BC4BC3BH4B1125.3°120.1°
C5BC4BC3BH4B2125.3°120.0°
C5BC4BH4B1H4B2114.4°120.1°
C5BC4BC3BC2B158.8°180.0°
C5BC4BC3BH3B133.5°59.9°
C5BC4BC3BH3B275.9°60.1°
H5B1C5BN5BHN5162.0°180.0°
H5B1C5BN5BHN52172.7°66.3°
H5B1C5BC4BC3B29.4°55.0°
H5B1C5BC4BH4B195.9°175.0°
H5B1C5BC4BH4B2154.7°65.0°
C3BC4BH4B1H4B2114.4°119.9°
C4BC3BC2BH3B1125.3°120.0°
C4BC3BC2BH3B2125.3°119.9°
C4BC3BH3B1H3B2116.9°120.0°
C4BC3BC2BO2B10.7°0.0°
C4BC3BC2BN1B164.7°180.0°
H4B1C4BC3BC2B75.9°59.9°
H4B1C4BC3BH3B1158.8°180.0°
H4B1C4BC3BH3B249.3°60.0°
H4B2C4BC3BC2B33.5°60.0°
H4B2C4BC3BH3B191.7°60.1°
H4B2C4BC3BH3B2158.8°180.0°
C2BC3BH3B1H3B2116.9°120.0°
C3BC2BO2BN1B175.4°180.0°
C3BC2BN1BHNB121.9°0.0°
H3B1C3BC2BO2B136.0°120.0°
H3B1C3BC2BN1B39.4°60.0°
H3B2C3BC2BO2B114.6°119.9°
H3B2C3BC2BN1B70.0°60.0°
O2BC2BN1BHNB1153.9°180.0°
C3CC1CC2CH1C1119.0°120.1°
C1CC3CO2CH3C1125.3°120.0°
C1CC3CO2CH3C2125.3°120.0°
C1CC3CH3C1H3C2113.9°120.0°
C1CC3CO2CHOC2179.9°180.0°
C3CC1CC2CO3C35.9°55.0°
C3CC1CC2CH2C189.3°64.9°
C3CC1CC2CH2C2161.2°175.0°
C2CC1CC3CO2C89.3°54.9°
C2CC1CC3CH3C1145.5°65.0°
C2CC1CC3CH3C236.0°175.0°
C1CC2CO3CH2C1125.2°120.0°
C1CC2CO3CH2C2125.2°119.9°
C1CC2CH2C1H2C2115.6°120.0°
C1CC2CO3CC4C164.4°180.0°
H1C1C1CC3CO2C30.2°175.0°
H1C1C1CC3CH3C195.0°55.1°
H1C1C1CC3CH3C2155.6°65.0°
H1C1C1CC2CO3C83.0°65.0°
H1C1C1CC2CH2C1151.7°175.0°
H1C1C1CC2CH2C242.2°54.9°
O2CC3CH3C1H3C2113.9°120.0°
H3C1C3CO2CHOC254.7°60.0°
H3C2C3CO2CHOC254.7°60.0°
O3CC2CH2C1H2C2115.7°120.0°
C2CO3CC4CC9C134.4°180.0°
C2CO3CC4CC5C46.5°0.3°
H2C1C2CO3CC4C39.2°60.0°
H2C2C2CO3CC4C70.4°60.1°
O3CC4CC9CC5C179.1°179.8°
O3CC4CC9CC8C177.7°180.0°
O3CC4CC9CH9C12.3°0.0°
O3CC4CC5CC6C179.0°179.7°
O3CC4CC5CH5C11.0°0.3°
C4CC9CC8CH9C1180.0°179.9°
C4CC9CC8CC7C1.8°0.1°
C4CC9CC8CH8C1178.1°180.0°
C9CC4CC5CC6C0.2°0.5°
C9CC4CC5CH5C1179.8°179.9°
C5CC4CC9CC8C1.4°0.2°
C5CC4CC9CH9C1178.6°179.7°
C4CC5CC6CC7C0.6°0.5°
C4CC5CC6CH5C1180.0°179.4°
C4CC5CC6CH6C1179.4°179.6°
C9CC8CC7CH8C1179.9°180.0°
C9CC8CC7CC6C1.0°0.1°
C9CC8CC7CN8C176.9°179.9°
H9C1C9CC8CC7C178.2°180.0°
H9C1C9CC8CH8C11.9°0.0°
C8CC7CC6CN8C177.9°180.0°
C8CC7CC6CC5C0.2°0.3°
C8CC7CC6CH6C1179.8°179.9°
C8CC7CN8CO8C0.6°0.0°
C8CC7CN8CO9C177.0°180.0°
H8C1C8CC7CC6C179.0°180.0°
H8C1C8CC7CN8C3.2°0.0°
C7CC6CC5CH6C1180.0°179.8°
C7CC6CC5CH5C1179.4°180.0°
C6CC7CN8CO8C177.2°180.0°
C6CC7CN8CO9C5.2°0.0°
N8CC7CC6CC5C178.1°179.8°
N8CC7CC6CH6C11.9°0.1°
C7CN8CO8CO9C177.6°180.0°
H6C1C6CC5CH5C10.6°0.2°

223790

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