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A1BI7

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CR5OR8sing1.43Å1.43Å
CR5CR4sing1.53Å1.49Å
OP4P1doub1.48Å1.47Å
O44C43doub1.21Å1.25Å
CR4CR3sing1.55Å1.53Å
CR4OR6sing1.44Å1.45Å
C49C50sing1.51Å1.51Å
C49C48sing1.53Å1.54Å
CR3CR2sing1.55Å1.52Å
CR3OP2sing1.43Å1.44Å
OR6CR1sing1.44Å1.41Å
CR1CR2sing1.54Å1.54Å
CR1NB1sing1.47Å1.44Å
P1OP5sing1.61Å1.48Å
P1OP2sing1.61Å1.63Å
P1OP3sing1.61Å1.59Å
C43N45sing1.35Å1.32Å
C43C42sing1.51Å1.48Å
CPR3CPR2sing1.53Å1.51Å
CB11CB6sing1.51Å1.52Å
N52C50sing1.35Å1.33Å
C50O51doub1.21Å1.25Å
CR2OR7sing1.43Å1.43Å
CB7CB6doub1.38Å1.39ÅAromatic
CB7CB8sing1.39Å1.41ÅAromatic
C47C15sing1.53Å1.54Å
C48C16sing1.53Å1.56Å
CPR2OP3sing1.43Å1.47Å
CPR2CPR1sing1.53Å1.53Å
C42C41sing1.53Å1.50Å
NB1CB8sing1.38Å1.39ÅAromatic
NB1CB2sing1.36Å1.35ÅAromatic
CB6CB5sing1.39Å1.41ÅAromatic
CB8CB9doub1.41Å1.38ÅAromatic
C15C16sing1.52Å1.56Å
C15C14sing1.52Å1.52Å
C15C46sing1.52Å1.55Å
CB2NB3doub1.30Å1.31ÅAromatic
C16C17sing1.52Å1.54Å
CB5CB10sing1.51Å1.51Å
CB5CB4doub1.37Å1.40ÅAromatic
C41C8sing1.53Å1.56Å
O58C57doub1.21Å1.23Å
CPR1N59sing1.46Å1.46Å
CB9NB3sing1.36Å1.38ÅAromatic
CB9CB4sing1.40Å1.39ÅAromatic
C10C14sing1.39Å1.40Å
C10C9doub1.37Å1.38Å
C14N23doub1.33Å1.34Å
C57N59sing1.35Å1.32Å
C57C56sing1.51Å1.52Å
C17N23sing1.34Å1.41Å
C17C18doub1.37Å1.39Å
C8C9sing1.51Å1.51Å
C8C7sing1.52Å1.53Å
C9N22sing1.34Å1.34Å
N23CO1sing1.83Å1.93Å
C53C18sing1.50Å1.52Å
C18C19sing1.40Å1.45Å
C56C55sing1.53Å1.53Å
O39C38doub1.21Å1.26Å
N22CO1sing1.82Å1.94Å
N22C6doub1.33Å1.40Å
CO1N24sing1.81Å1.91Å
CO1N21sing1.82Å1.88Å
CO1C1Lsing1.88Å1.84Å
C36C7sing1.52Å1.53Å
C7C6sing1.52Å1.55Å
C7C37sing1.52Å1.57Å
C19N24doub1.31Å1.32Å
C19C1Asing1.50Å1.57Å
C55C1Asing1.53Å1.54Å
C6C5sing1.41Å1.37Å
N24C1Csing1.46Å1.47Å
C38C37sing1.51Å1.51Å
C38N40sing1.35Å1.32Å
C20C11sing1.52Å1.53Å
C1AC1Bsing1.54Å1.55Å
C1AC54sing1.53Å1.56Å
N21C11sing1.46Å1.49Å
N21C4sing1.37Å1.31Å
C1LC2Ltrip1.17Å1.19Å
C5C4doub1.35Å1.46Å
C5C35sing1.50Å1.53Å
O62C61doub1.21Å1.24Å
C1BC1Csing1.53Å1.54Å
C1BC60sing1.53Å1.54Å
C11C1Csing1.52Å1.57Å
C11C2sing1.53Å1.58Å
C4C3sing1.50Å1.53Å
C31C32sing1.51Å1.53Å
C31C30sing1.53Å1.51Å
O33C32doub1.21Å1.22Å
C2LC01sing1.43Å1.51Å
C32N34sing1.35Å1.34Å
O02C01sing1.35Å1.45Å
O02C07sing1.36Å1.41Å
C61C60sing1.51Å1.53Å
C61N63sing1.35Å1.33Å
C3C30sing1.53Å1.57Å
C3C2sing1.54Å1.55Å
C01O01doub1.22Å1.44Å
C2C25sing1.52Å1.53Å
C2C26sing1.52Å1.54Å
C06C07doub1.37Å1.40ÅAromatic
C06C05sing1.40Å1.39ÅAromatic
C07C02sing1.40Å1.40ÅAromatic
CC05doub1.41Å1.40ÅAromatic
CC1sing1.36Å1.40ÅAromatic
C05C04sing1.42Å1.41ÅAromatic
C26C27sing1.51Å1.51Å
C02C03doub1.36Å1.39ÅAromatic
C1C12doub1.39Å1.39ÅAromatic
C04C03sing1.41Å1.39ÅAromatic
C04C13doub1.40Å1.43ÅAromatic
C27N29sing1.35Å1.32Å
C27O28doub1.21Å1.26Å
C12C13sing1.36Å1.39ÅAromatic
C3H2sing1.08Å1.10Å
C1H3sing1.08Å1.08Å
CH4sing1.08Å1.08Å
CB2H5sing1.08Å1.08Å
C02H6sing1.08Å1.08Å
C03H7sing1.08Å1.08Å
C06H8sing1.08Å1.08Å
C10H9sing1.08Å1.08Å
C12H10sing1.08Å1.08Å
C13H11sing1.08Å1.08Å
C16H12sing1.08Å1.10Å
C1BH14sing1.08Å1.10Å
C1CH15sing1.09Å1.10Å
C20H16sing1.09Å1.10Å
C20H17sing1.09Å1.10Å
C20H18sing1.09Å1.10Å
C25H19sing1.09Å1.10Å
C25H20sing1.09Å1.10Å
C25H21sing1.09Å1.10Å
C26H22sing1.09Å1.10Å
C26H23sing1.09Å1.10Å
C30H24sing1.09Å1.10Å
C30H25sing1.09Å1.10Å
C31H26sing1.09Å1.10Å
C31H27sing1.09Å1.10Å
C35H28sing1.09Å1.10Å
C35H29sing1.09Å1.10Å
C35H30sing1.09Å1.10Å
C36H31sing1.09Å1.10Å
C36H32sing1.09Å1.10Å
C36H33sing1.09Å1.10Å
C37H34sing1.09Å1.10Å
C37H35sing1.09Å1.10Å
C41H36sing1.09Å1.10Å
C41H37sing1.09Å1.10Å
C42H38sing1.09Å1.10Å
C42H39sing1.09Å1.10Å
C46H40sing1.09Å1.10Å
C46H41sing1.09Å1.10Å
C46H42sing1.09Å1.10Å
C47H43sing1.09Å1.10Å
C47H44sing1.09Å1.10Å
C47H45sing1.09Å1.10Å
C48H46sing1.09Å1.10Å
C48H47sing1.09Å1.10Å
C49H48sing1.09Å1.10Å
C49H49sing1.09Å1.10Å
C53H50sing1.09Å1.10Å
C53H51sing1.09Å1.10Å
C53H52sing1.09Å1.10Å
C54H53sing1.09Å1.10Å
C54H54sing1.09Å1.10Å
C54H55sing1.09Å1.10Å
C55H56sing1.09Å1.10Å
C55H57sing1.09Å1.10Å
C56H58sing1.09Å1.10Å
C56H59sing1.09Å1.10Å
C60H60sing1.09Å1.10Å
C60H61sing1.09Å1.10Å
C8H62sing1.08Å1.10Å
CB4H64sing1.08Å1.08Å
CB7H65sing1.08Å1.08Å
CR1H66sing1.09Å1.10Å
CR2H67sing1.09Å1.10Å
CR3H68sing1.09Å1.10Å
CR4H69sing1.09Å1.10Å
CR5H70sing1.09Å1.10Å
CR5H71sing1.09Å1.10Å
N29H72sing0.97Å1.00Å
N29H73sing0.97Å1.00Å
N34H74sing0.97Å1.00Å
N34H75sing0.97Å1.00Å
N40H76sing0.97Å1.00Å
N40H77sing0.97Å1.00Å
N45H78sing0.97Å1.00Å
N45H79sing0.97Å1.00Å
N52H80sing0.97Å1.00Å
N52H81sing0.97Å1.00Å
N59H82sing0.97Å1.00Å
N63H83sing0.97Å1.00Å
N63H84sing0.97Å1.00Å
OP5H85sing0.97Å0.95Å
OR7H86sing0.97Å0.95Å
OR8H87sing0.97Å0.95Å
CPR1H13sing1.09Å1.10Å
CPR1H1sing1.09Å1.10Å
CPR2H63sing1.09Å1.10Å
CPR3H90sing1.09Å1.10Å
CPR3H88sing1.09Å1.10Å
CPR3H89sing1.09Å1.10Å
CB10H96sing1.09Å1.10Å
CB10H95sing1.09Å1.10Å
CB10H94sing1.09Å1.10Å
CB11H93sing1.09Å1.10Å
CB11H91sing1.09Å1.10Å
CB11H92sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OR8CR5CR4114.6°109.4°
OR8CR5H70108.2°109.5°
OR8CR5H71108.2°109.5°
CR5OR8H87109.5°114.0°
CR5CR4CR3114.8°110.6°
CR5CR4OR6105.1°110.6°
CR5CR4H69110.2°110.7°
CR4CR5H70108.1°109.4°
CR4CR5H71108.2°109.5°
OP4P1OP5119.1°109.5°
OP4P1OP2109.1°109.4°
OP4P1OP3108.1°109.5°
O44C43N45123.8°120.0°
O44C43C42120.0°120.0°
CR3CR4OR6106.1°103.5°
CR4CR3CR2104.2°102.1°
CR4CR3OP2109.9°110.9°
CR4CR3H68109.7°110.9°
CR3CR4H69109.6°110.6°
CR4OR6CR1110.8°107.0°
OR6CR4H69110.8°110.6°
C50C49C48113.0°109.5°
C49C50N52116.7°120.0°
C49C50O51119.8°120.0°
C50C49H48108.6°109.5°
C50C49H49108.6°109.5°
C49C48C16117.1°109.5°
C49C48H46107.5°109.4°
C49C48H47107.6°109.4°
C48C49H48108.6°109.4°
C48C49H49108.6°109.4°
CR2CR3OP2111.9°110.9°
CR3CR2CR1102.3°104.2°
CR3CR2OR7106.5°110.5°
CR3CR2H67111.5°110.6°
CR2CR3H68109.9°110.9°
CR3OP2P1119.6°123.0°
OP2CR3H68111.1°110.8°
OR6CR1CR2105.8°107.3°
OR6CR1NB1108.2°109.8°
OR6CR1H66112.6°110.0°
CR2CR1NB1107.2°109.8°
CR1CR2OR7111.8°110.5°
CR2CR1H66110.7°109.9°
CR1CR2H67111.3°110.5°
CR1NB1CB8127.7°126.4°
CR1NB1CB2125.0°126.4°
NB1CR1H66112.1°109.8°
OP5P1OP2112.6°109.5°
OP5P1OP3107.0°109.5°
P1OP5H85109.5°113.9°
OP2P1OP399.0°109.5°
P1OP3CPR2117.9°123.0°
N45C43C42116.3°120.0°
C43N45H78120.0°120.1°
C43N45H79120.0°120.0°
C43C42C41111.7°109.5°
C43C42H38108.9°109.5°
C43C42H39108.9°109.5°
CPR3CPR2OP3110.1°109.5°
CPR3CPR2CPR1112.6°109.4°
CPR3CPR2H63109.4°109.4°
CPR2CPR3H90109.5°109.5°
CPR2CPR3H88109.5°109.4°
CPR2CPR3H89109.5°109.5°
CB11CB6CB7119.6°119.8°
CB11CB6CB5119.8°119.8°
CB6CB11H93109.5°109.4°
CB6CB11H91109.5°109.5°
CB6CB11H92109.4°109.4°
N52C50O51123.5°120.0°
C50N52H80120.0°120.0°
C50N52H81120.0°120.0°
OR7CR2H67112.9°110.4°
CR2OR7H86109.5°114.0°
CB6CB7CB8117.2°119.7°
CB7CB6CB5120.6°120.4°
CB6CB7H65121.4°120.1°
CB7CB8NB1131.5°134.1°
CB7CB8CB9122.3°119.8°
CB8CB7H65121.4°120.2°
C47C15C16118.9°111.0°
C47C15C14112.8°110.2°
C47C15C46108.7°110.8°
C15C47H43109.5°109.5°
C15C47H44109.5°109.5°
C15C47H45109.4°109.5°
C48C16C15115.0°110.7°
C48C16C17111.3°109.7°
C48C16H12109.2°110.9°
C16C48H46107.5°109.5°
C16C48H47107.5°109.5°
OP3CPR2CPR1105.7°109.5°
OP3CPR2H63109.9°109.5°
CPR2CPR1N59113.1°109.5°
CPR2CPR1H13108.5°109.5°
CPR2CPR1H1108.5°109.5°
CPR1CPR2H63109.1°109.5°
C42C41C8111.5°109.5°
C42C41H36109.0°109.5°
C42C41H37109.0°109.5°
C41C42H38108.9°109.5°
C41C42H39108.9°109.4°
CB8NB1CB2107.3°107.3°
NB1CB8CB9106.2°106.1°
NB1CB2NB3110.9°110.1°
NB1CB2H5124.5°125.0°
CB6CB5CB10118.6°119.6°
CB6CB5CB4121.4°120.7°
CB8CB9NB3108.1°106.9°
CB8CB9CB4120.8°119.5°
C16C15C14101.2°102.5°
C16C15C46107.5°111.4°
C15C16C17102.3°102.5°
C15C16H12109.3°111.9°
C14C15C46107.0°110.7°
C15C14C10122.1°120.0°
C15C14N23112.4°112.7°
C15C46H40109.5°109.5°
C15C46H41109.5°109.5°
C15C46H42109.5°109.4°
CB2NB3CB9107.6°109.6°
NB3CB2H5124.6°124.9°
C16C17N23108.7°112.0°
C16C17C18125.0°116.6°
C17C16H12109.5°110.8°
CB10CB5CB4120.0°119.7°
CB5CB10H96109.5°109.5°
CB5CB10H95109.4°109.5°
CB5CB10H94109.5°109.5°
CB5CB4CB9117.7°119.9°
CB5CB4H64121.2°120.1°
C41C8C9109.4°110.4°
C41C8C7116.0°110.9°
C8C41H36108.9°109.5°
C8C41H37109.0°109.4°
C41C8H62109.9°111.1°
O58C57N59119.4°120.0°
O58C57C56121.2°120.0°
CPR1N59C57120.0°120.0°
CPR1N59H82120.0°120.0°
N59CPR1H13108.6°109.5°
N59CPR1H1108.6°109.5°
NB3CB9CB4131.2°133.6°
CB9CB4H64121.2°120.1°
C14C10C9126.8°120.4°
C10C14N23125.4°127.3°
C14C10H9116.6°119.7°
C10C9C8122.6°119.8°
C10C9N22125.8°127.4°
C9C10H9116.6°119.9°
C14N23C17110.1°109.9°
C14N23CO1122.3°123.0°
N59C57C56119.4°120.0°
C57N59H82120.0°120.0°
C57C56C55109.2°109.5°
C57C56H58109.5°109.5°
C57C56H59109.5°109.5°
N23C17C18125.6°131.3°
C17N23CO1127.6°127.0°
C17C18C53116.9°121.6°
C17C18C19121.1°116.4°
C9C8C7100.5°102.2°
C8C9N22110.2°112.8°
C9C8H62110.5°110.7°
C8C7C36102.9°110.9°
C8C7C699.8°103.0°
C8C7C37111.1°110.9°
C7C8H62110.3°111.3°
C9N22CO1121.2°122.8°
C9N22C6108.8°109.6°
N23CO1N2297.8°97.7°
N23CO1N2489.3°86.3°
N23CO1N21174.9°160.3°
N23CO1C1L93.3°98.5°
C53C18C19119.5°122.0°
C18C53H50109.5°109.5°
C18C53H51109.5°109.5°
C18C53H52109.4°109.5°
C18C19N24121.8°117.9°
C18C19C1A128.1°129.4°
C56C55C1A111.6°109.5°
C56C55H56108.9°109.5°
C56C55H57108.9°109.4°
C55C56H58109.5°109.5°
C55C56H59109.5°109.5°
O39C38C37121.4°120.0°
O39C38N40120.2°120.0°
CO1N22C6126.6°127.3°
N22CO1N24172.9°163.7°
N22CO1N2187.3°84.4°
N22CO1C1L83.9°98.2°
N22C6C7108.6°112.2°
N22C6C5122.5°131.8°
N24CO1N2185.7°86.7°
N24CO1C1L94.9°96.9°
CO1N24C19133.8°141.0°
CO1N24C1C112.4°109.9°
N21CO1C1L87.5°100.6°
CO1N21C11115.1°112.1°
CO1N21C4131.1°140.8°
CO1C1LC2L170.7°180.0°
C36C7C6123.5°110.6°
C36C7C37113.4°110.8°
C7C36H31109.5°109.5°
C7C36H32109.5°109.5°
C7C36H33109.5°109.5°
C6C7C37104.9°110.5°
C7C6C5128.8°116.0°
C7C37C38110.3°109.5°
C7C37H34109.2°109.5°
C7C37H35109.3°109.5°
N24C19C1A110.1°112.7°
C19N24C1C111.5°109.0°
C19C1AC55118.9°110.6°
C19C1AC1B99.1°103.6°
C19C1AC54110.0°110.3°
C55C1AC1B107.9°111.0°
C55C1AC54109.3°110.6°
C1AC55H56108.9°109.5°
C1AC55H57108.9°109.4°
C6C5C4120.0°116.1°
C6C5C35122.0°121.7°
N24C1CC1B100.4°107.4°
N24C1CC11107.5°102.4°
N24C1CH15109.5°110.8°
C37C38N40118.5°120.0°
C38C37H34109.3°109.4°
C38C37H35109.3°109.4°
C38N40H76120.0°120.0°
C38N40H77120.0°120.0°
C20C11N21110.6°111.4°
C20C11C1C109.1°112.2°
C20C11C2115.9°111.5°
C11C20H16109.5°109.5°
C11C20H17109.5°109.4°
C11C20H18109.5°109.5°
C1BC1AC54111.1°110.6°
C1AC1BC1C102.7°100.6°
C1AC1BC60115.9°110.4°
C1AC1BH14107.2°111.8°
C1AC54H53109.5°109.5°
C1AC54H54109.5°109.5°
C1AC54H55109.5°109.5°
C11N21C4113.1°107.1°
N21C11C1C104.6°103.0°
N21C11C299.9°106.4°
N21C4C5124.8°116.7°
N21C4C3113.5°112.3°
C1LC2LC01169.8°179.9°
C4C5C35116.4°122.1°
C5C4C3120.9°130.9°
C5C35H28109.5°109.5°
C5C35H29109.4°109.5°
C5C35H30109.5°109.5°
O62C61C60122.8°120.0°
O62C61N63119.2°120.0°
C1CC1BC60116.0°110.4°
C1BC1CC11121.8°113.1°
C1CC1BH14107.3°111.9°
C1BC1CH15108.7°111.1°
C1BC60C61112.9°109.5°
C60C1BH14107.3°111.3°
C1BC60H60108.6°109.5°
C1BC60H61108.6°109.4°
C1CC11C2115.8°111.9°
C11C1CH15108.3°111.8°
C11C2C3106.6°101.9°
C11C2C25114.0°110.8°
C11C2C26107.4°110.8°
C4C3C30118.2°109.9°
C4C3C299.8°103.9°
C4C3H2104.8°110.8°
C32C31C30111.0°109.4°
C31C32O33123.0°120.0°
C31C32N34114.8°120.0°
C32C31H26109.1°109.5°
C32C31H27109.1°109.4°
C31C30C3123.7°109.5°
C31C30H24105.8°109.5°
C31C30H25105.8°109.5°
C30C31H26109.1°109.5°
C30C31H27109.1°109.5°
O33C32N34122.2°120.0°
C2LC01O02125.8°120.0°
C2LC01O01103.8°120.0°
C32N34H74120.0°120.0°
C32N34H75120.0°120.0°
C01O02C07116.1°117.0°
O02C01O01129.2°120.0°
O02C07C06118.8°119.6°
O02C07C02119.6°119.6°
C60C61N63118.0°120.0°
C61C60H60108.6°109.5°
C61C60H61108.6°109.5°
C61N63H83120.0°120.0°
C61N63H84120.0°120.0°
C30C3C2123.1°110.2°
C30C3H2104.4°110.8°
C3C30H24105.8°109.5°
C3C30H25105.8°109.5°
C3C2C25115.6°110.9°
C3C2C26100.6°111.0°
C2C3H2104.6°111.1°
C25C2C26111.4°111.1°
C2C25H19109.5°109.4°
C2C25H20109.4°109.5°
C2C25H21109.5°109.5°
C2C26C27115.0°109.5°
C2C26H22108.1°109.5°
C2C26H23108.1°109.5°
C07C06C05117.2°119.6°
C06C07C02121.6°120.9°
C07C06H8121.4°120.2°
C06C05C120.1°121.2°
C06C05C04121.2°119.4°
C05C06H8121.4°120.2°
C07C02C03120.8°120.9°
C07C02H6119.6°119.5°
C05CC1120.2°119.7°
CC05C04118.7°119.3°
C05CH4119.9°120.2°
CC1C12121.2°121.0°
CC1H3119.4°119.5°
C1CH4119.9°120.2°
C05C04C03120.9°119.4°
C05C04C13120.9°119.4°
C26C27N29114.8°120.0°
C26C27O28123.2°120.0°
C27C26H22108.1°109.4°
C27C26H23108.1°109.4°
C02C03C04118.3°119.8°
C03C02H6119.6°119.6°
C02C03H7120.9°120.1°
C1C12C13119.9°121.0°
C12C1H3119.4°119.5°
C1C12H10120.0°119.5°
C03C04C13118.2°121.2°
C04C03H7120.8°120.1°
C04C13C12119.0°119.7°
C04C13H11120.5°120.2°
N29C27O28122.0°120.0°
C27N29H72120.0°120.0°
C27N29H73120.0°120.0°
C13C12H10120.0°119.5°
C12C13H11120.5°120.2°
H16C20H17109.5°109.5°
H16C20H18109.5°109.5°
H17C20H18109.5°109.5°
H19C25H20109.5°109.4°
H19C25H21109.5°109.4°
H20C25H21109.5°109.5°
H22C26H23109.5°109.5°
H24C30H25109.5°109.5°
H26C31H27109.5°109.5°
H28C35H29109.5°109.4°
H28C35H30109.5°109.5°
H29C35H30109.5°109.4°
H31C36H32109.5°109.4°
H31C36H33109.5°109.4°
H32C36H33109.4°109.4°
H34C37H35109.4°109.5°
H36C41H37109.5°109.4°
H38C42H39109.5°109.5°
H40C46H41109.5°109.5°
H40C46H42109.5°109.4°
H41C46H42109.5°109.5°
H43C47H44109.5°109.5°
H43C47H45109.5°109.5°
H44C47H45109.5°109.4°
H46C48H47109.5°109.4°
H48C49H49109.4°109.5°
H50C53H51109.5°109.5°
H50C53H52109.5°109.5°
H51C53H52109.5°109.4°
H53C54H54109.5°109.5°
H53C54H55109.4°109.4°
H54C54H55109.5°109.5°
H56C55H57109.5°109.5°
H58C56H59109.5°109.5°
H60C60H61109.5°109.5°
H70CR5H71109.5°109.5°
H72N29H73120.1°120.0°
H74N34H75120.0°120.0°
H76N40H77120.0°120.0°
H78N45H79120.0°119.9°
H80N52H81120.0°120.0°
H83N63H84120.0°120.0°
H13CPR1H1109.5°109.5°
H90CPR3H88109.5°109.4°
H90CPR3H89109.5°109.5°
H88CPR3H89109.5°109.5°
H96CB10H95109.5°109.5°
H96CB10H94109.5°109.4°
H95CB10H94109.5°109.5°
H93CB11H91109.5°109.5°
H93CB11H92109.5°109.5°
H91CB11H92109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OR8CR5CR4H70120.8°120.0°
OR8CR5CR4H71120.8°120.0°
OR8CR5CR4CR3149.2°176.1°
OR8CR5CR4OR694.7°69.9°
OR8CR5CR4H6924.8°53.1°
OR8CR5H70H71117.7°120.0°
CR5CR4CR3OR6115.6°118.5°
CR5CR4CR3H69124.7°123.0°
CR5CR4OR6H69119.0°123.0°
CR5CR4CR3CR2134.6°155.5°
CR5CR4CR3OP2105.4°86.3°
CR5CR4OR6CR1120.6°158.5°
CR5CR4CR3H6817.0°37.3°
CR4CR5H70H71117.6°120.0°
CR4CR5OR8H87180.0°175.4°
OP4P1OP2CR356.7°58.8°
OP4P1OP5OP2129.5°120.0°
OP4P1OP5OP3122.8°120.0°
OP4P1OP2OP3112.7°120.0°
OP4P1OP3CPR253.9°55.7°
OP4P1OP5H850.0°180.0°
O44C43N45C42179.8°180.0°
O44C43C42C41153.8°0.0°
O44C43C42H3833.5°120.0°
O44C43C42H3985.9°120.0°
O44C43N45H780.0°180.0°
O44C43N45H79180.0°0.0°
CR3CR4OR6H69118.9°118.5°
CR4CR3CR2OP2118.7°118.2°
CR4CR3CR2H68117.5°118.3°
CR4CR3OP2H68121.6°123.7°
CR3CR4OR6CR11.4°40.0°
CR4CR3CR2CR130.4°20.9°
CR4CR3OP2P1136.7°133.3°
CR4CR3CR2OR787.0°97.8°
CR4CR3CR2H67149.4°139.6°
CR3CR4CR5H7090.1°56.1°
CR3CR4CR5H7128.4°64.0°
OR6CR4CR3CR219.0°37.0°
OR6CR4CR3OP2139.0°155.2°
CR4OR6CR1CR221.2°26.5°
CR4OR6CR1NB1135.8°92.9°
CR4OR6CR1H6699.8°146.0°
OR6CR4CR3H6898.6°81.2°
OR6CR4CR5H7026.1°170.2°
OR6CR4CR5H71144.5°50.1°
C50C49C48H48120.5°120.0°
C50C49C48H49120.5°120.0°
C49C50N52O51179.6°180.0°
C50C49C48C1627.2°173.8°
C50C49C48H46148.3°66.2°
C50C49C48H4793.8°53.8°
C50C49H48H49118.4°120.1°
C49C50N52H80179.6°4.9°
C49C50N52H810.4°175.0°
C48C49C50N5294.5°174.9°
C48C49C50O5185.1°5.1°
C49C48C16H46121.1°120.0°
C49C48C16H47121.1°120.0°
C49C48C16C1590.8°90.2°
C49C48C16C17153.5°157.3°
C49C48C16H1232.4°34.6°
C49C48H46H47116.6°119.9°
C48C49H48H49118.4°119.9°
CR2CR3OP2H68123.2°123.6°
CR3CR2CR1OR632.0°2.0°
CR3CR2CR1OR7113.7°118.7°
CR3CR2CR1H67119.2°118.8°
CR3CR2CR1NB1147.4°117.4°
CR2CR3OP2P1108.1°114.0°
CR3CR2OR7H67122.7°122.7°
CR3CR2CR1H6690.2°121.6°
CR2CR3CR4H69100.7°81.5°
CR3CR2OR7H86180.0°176.2°
OP2CR3CR2CR1149.1°139.1°
CR3OP2P1OP577.8°61.2°
CR3OP2P1OP3169.5°178.8°
OP2CR3CR2OR731.6°20.4°
OP2CR3CR2H6791.9°102.2°
OP2CR3CR4H6919.3°36.7°
OR6CR1CR2NB1115.3°119.4°
OR6CR1CR2H66122.2°119.6°
OR6CR1NB1H66124.7°121.1°
OR6CR1CR2OR781.6°120.7°
OR6CR1NB1CB8155.1°157.1°
OR6CR1NB1CB227.8°22.5°
OR6CR1CR2H67151.2°116.8°
CR1OR6CR4H69120.3°78.5°
CR2CR1NB1H66121.6°121.0°
CR1CR2OR7H67126.3°122.5°
CR2CR1NB1CB891.2°85.1°
CR2CR1NB1CB285.9°95.3°
CR1CR2CR3H6887.0°97.3°
CR1CR2OR7H8669.0°61.5°
NB1CR1CR2OR733.7°1.3°
CR1NB1CB8CB73.3°0.3°
CR1NB1CB8CB2177.6°179.7°
CR1NB1CB8CB9178.0°179.7°
CR1NB1CB2NB3178.3°179.8°
CR1NB1CB2H51.7°0.3°
NB1CR1CR2H6793.5°123.8°
OP5P1OP2OP3112.7°120.0°
OP5P1OP3CPR2176.8°64.3°
OP2P1OP3CPR259.7°175.7°
P1OP2CR3H6815.1°9.6°
OP2P1OP5H85129.5°60.0°
P1OP3CPR2CPR3100.8°113.1°
P1OP3CPR2CPR1137.3°127.0°
OP3P1OP5H85122.8°60.0°
P1OP3CPR2H6319.7°6.9°
N45C43C42C4126.4°180.0°
N45C43C42H38146.7°60.0°
N45C43C42H3994.0°60.0°
C43N45H78H79180.0°180.0°
C43C42C41H38120.3°120.0°
C43C42C41H39120.3°120.0°
C43C42C41C8178.4°174.2°
C43C42C41H3661.4°54.2°
C43C42C41H3758.1°65.8°
C43C42H38H39119.0°120.0°
C42C43N45H78179.8°0.0°
C42C43N45H790.2°180.0°
CPR3CPR2OP3CPR1121.9°120.0°
CPR3CPR2OP3H63120.5°120.0°
CPR3CPR2CPR1H63121.6°120.0°
CPR3CPR2CPR1N59175.1°174.1°
CPR3CPR2CPR1H1354.6°54.1°
CPR3CPR2CPR1H164.4°65.9°
CPR2CPR3H90H88120.0°119.9°
CPR2CPR3H90H89120.0°120.0°
CPR2CPR3H88H89120.0°120.0°
CB11CB6CB7CB5179.2°180.0°
CB11CB6CB7CB8180.0°180.0°
CB11CB6CB5CB100.2°0.0°
CB11CB6CB5CB4179.9°179.9°
CB11CB6CB7H650.0°0.0°
CB6CB11H93H91120.0°120.0°
CB6CB11H93H92120.0°119.9°
CB6CB11H91H92120.0°120.0°
N52C50C49H4826.0°55.0°
N52C50C49H49145.0°65.1°
C50N52H80H81180.0°179.9°
O51C50C49H48154.4°125.1°
O51C50C49H4935.5°114.9°
O51C50N52H800.0°175.1°
O51C50N52H81180.0°5.1°
OR7CR2CR1H66156.2°119.7°
OR7CR2CR3H68155.5°144.0°
CB6CB7CB8H65180.0°179.9°
CB6CB7CB8NB1179.4°180.0°
CB6CB7CB8CB90.9°0.0°
CB7CB6CB5CB10179.3°180.0°
CB7CB6CB5CB40.9°0.1°
CB7CB6CB11H9390.4°90.0°
CB7CB6CB11H91149.6°30.0°
CB7CB6CB11H9229.6°150.0°
CB7CB8NB1CB9178.7°179.9°
CB7CB8NB1CB2179.1°180.0°
CB8CB7CB6CB50.8°0.0°
CB7CB8CB9NB3178.9°179.9°
CB7CB8CB9CB41.1°0.0°
C47C15C16C4825.0°3.1°
C47C15C16C14124.0°117.7°
C47C15C16C46123.9°124.0°
C47C15C14C46119.5°122.9°
C47C15C16C17145.8°120.1°
C47C15C14C1035.8°55.1°
C47C15C14N23147.4°123.6°
C47C15C16H1298.2°121.2°
C47C15C46H40180.0°64.1°
C47C15C46H4160.0°55.9°
C47C15C46H4260.0°175.9°
C15C47H43H44120.0°120.0°
C15C47H43H45120.0°120.0°
C15C47H44H45120.0°120.0°
C48C16C15C17120.8°117.0°
C48C16C15H12123.2°124.3°
C48C16C15C1499.0°114.5°
C48C16C15C46149.0°127.1°
C48C16C17H12120.9°122.8°
C48C16C17N23103.8°118.6°
C48C16C17C1866.7°59.0°
C16C48H46H47116.5°120.0°
C16C48C49H4893.3°53.8°
C16C48C49H49147.8°66.1°
OP3CPR2CPR1H63118.2°120.1°
OP3CPR2CPR1N5954.9°65.9°
OP3CPR2CPR1H1365.7°174.1°
OP3CPR2CPR1H1175.4°54.1°
OP3CPR2CPR3H90180.0°59.9°
OP3CPR2CPR3H8860.0°60.0°
OP3CPR2CPR3H8960.0°180.0°
CPR2CPR1N59H13120.5°120.0°
CPR2CPR1N59H1120.5°120.0°
CPR2CPR1N59C5779.2°176.3°
CPR2CPR1N59H82100.8°3.7°
CPR2CPR1H13H1118.3°120.0°
CPR1CPR2CPR3H9062.3°60.1°
CPR1CPR2CPR3H8857.7°180.0°
CPR1CPR2CPR3H89177.7°60.0°
C42C41C8H36120.3°120.0°
C42C41C8H37120.3°120.0°
C42C41C8C951.0°65.2°
C42C41C8C7163.7°177.7°
C42C41H36H37119.1°120.0°
C41C42H38H39119.0°120.0°
C42C41C8H6270.4°58.0°
CB8NB1CB2NB30.7°0.1°
NB1CB8CB9NB30.0°0.0°
NB1CB8CB9CB4179.9°180.0°
CB8NB1CB2H5179.3°180.0°
NB1CB8CB7H650.6°0.0°
CB8NB1CR1H6630.4°36.0°
CB2NB1CB8CB90.4°0.0°
NB1CB2NB3H5180.0°179.9°
NB1CB2NB3CB90.7°0.1°
CB2NB1CR1H66152.5°143.6°
CB6CB5CB10CB4179.8°179.9°
CB6CB5CB4CB91.0°0.1°
CB6CB5CB4H64179.0°179.9°
CB5CB6CB7H65179.2°180.0°
CB6CB5CB10H9689.9°90.1°
CB6CB5CB10H95150.1°29.9°
CB6CB5CB10H9430.1°150.0°
CB5CB6CB11H9390.4°90.0°
CB5CB6CB11H9129.6°150.0°
CB5CB6CB11H92149.6°30.0°
CB8CB9NB3CB20.4°0.1°
CB8CB9CB4CB51.1°0.0°
CB8CB9NB3CB4179.9°179.9°
CB8CB9CB4H64178.9°180.0°
CB9CB8CB7H65179.1°179.9°
C16C15C14C46112.4°118.8°
C15C16C17H12115.8°119.5°
C16C15C14C10164.0°173.3°
C16C15C14N2319.2°5.4°
C15C16C17N2319.5°0.9°
C15C16C17C18170.0°176.7°
C16C15C46H4050.1°60.0°
C16C15C46H4169.9°180.0°
C16C15C46H42170.1°60.0°
C16C15C47H43180.0°61.9°
C16C15C47H4460.0°178.0°
C16C15C47H4560.0°58.1°
C15C16C48H4630.3°149.8°
C15C16C48H47148.1°29.8°
C14C15C16C1721.8°2.4°
C15C14C10N23176.4°178.5°
C15C14C10C9174.3°174.7°
C15C14N23C177.4°6.2°
C15C14N23CO1173.8°175.9°
C15C14C10H95.7°4.9°
C14C15C16H12137.8°121.2°
C14C15C46H4057.9°173.3°
C14C15C46H41177.9°66.7°
C14C15C46H4262.1°53.4°
C14C15C47H4361.8°51.0°
C14C15C47H44178.2°69.1°
C14C15C47H4558.2°171.0°
C46C15C16C1790.2°115.9°
C46C15C14C1083.7°67.8°
C46C15C14N2393.1°113.5°
C46C15C16H1225.7°2.8°
C15C46H40H41120.0°120.0°
C15C46H40H42120.0°119.9°
C15C46H41H42120.0°120.0°
C46C15C47H4356.7°173.8°
C46C15C47H4463.3°53.8°
C46C15C47H45176.7°66.2°
CB2NB3CB9CB4179.7°180.0°
C16C17N23C148.3°4.4°
C16C17N23C18170.5°177.1°
C16C17N23CO1170.4°177.8°
C16C17C18C5323.7°2.3°
C16C17C18C19174.7°177.6°
C17C16C48H4685.5°37.3°
C17C16C48H4732.3°82.7°
CB10CB5CB4CB9179.2°180.0°
CB10CB5CB4H640.8°0.0°
CB5CB10H96H95120.0°120.1°
CB5CB10H96H94120.0°120.0°
CB5CB10H95H94120.0°120.0°
CB5CB4CB9NB3178.8°180.0°
CB5CB4CB9H64180.0°180.0°
CB4CB5CB10H9689.9°90.0°
CB4CB5CB10H9530.1°150.0°
CB4CB5CB10H94150.1°30.0°
C41C8C9C10102.5°63.7°
C41C8C9C7122.5°118.0°
C41C8C9H62121.0°123.4°
C41C8C7H62125.7°124.3°
C41C8C9N2290.4°118.4°
C41C8C7C3642.3°2.7°
C41C8C7C685.6°115.5°
C41C8C7C37164.1°126.3°
C8C41H36H37119.1°119.9°
C8C41C42H3858.0°54.2°
C8C41C42H3961.3°65.8°
O58C57N59CPR12.1°5.3°
O58C57N59C56178.1°180.0°
O58C57C56C5578.8°4.4°
O58C57C56H5841.1°124.4°
O58C57C56H59161.2°115.6°
O58C57N59H82177.8°174.7°
CPR1N59C57H82180.0°180.0°
CPR1N59C57C56179.8°174.7°
N59CPR1H13H1118.3°120.0°
N59CPR1CPR2H6363.3°54.1°
CB9NB3CB2H5179.3°180.0°
NB3CB9CB4H641.2°0.0°
C14C10C9H9180.0°179.6°
C10C14N23C17175.9°172.3°
C14C10C9C8170.7°178.6°
C14C10C9N225.6°3.8°
C10C14N23CO12.9°5.6°
C9C10C14N232.1°3.8°
C10C9C8N22167.1°177.9°
C10C9C8C7135.0°178.3°
C10C9N22CO110.5°5.5°
C10C9N22C6150.1°179.2°
C10C9C8H6218.6°59.7°
C14N23C17CO1178.7°177.8°
C14N23C17C18178.7°172.7°
C14N23CO1N221.4°11.3°
C14N23CO1N24179.5°175.4°
C14N23CO1N21175.7°106.0°
C14N23CO1C1L85.6°88.2°
N23C14C10H9177.9°176.6°
N59C57C56C5599.2°175.6°
N59C57C56H58140.9°55.6°
N59C57C56H5920.8°64.4°
C57N59CPR1H13160.3°63.7°
C57N59CPR1H141.3°56.3°
C57C56C55H58119.9°120.0°
C57C56C55H59120.0°120.0°
C57C56C55C1A161.7°175.0°
C57C56C55H5678.0°55.0°
C57C56C55H5741.4°65.1°
C57C56H58H59120.1°120.0°
C56C57N59H820.2°5.3°
N23C17C18C53167.4°174.6°
N23C17C18C195.7°5.4°
C17N23CO1N22179.9°166.3°
C17N23CO1N240.9°2.2°
C17N23CO1N212.8°71.5°
C17N23CO1C1L95.8°94.3°
N23C17C16H12135.3°118.7°
C18C17N23CO10.0°5.1°
C17C18C53C19162.0°180.0°
C17C18C19N2410.9°3.3°
C17C18C19C1A172.0°173.5°
C18C17C16H1254.2°63.8°
C17C18C53H50180.0°5.6°
C17C18C53H5160.0°125.6°
C17C18C53H5260.0°114.4°
C9C8C7H62116.6°118.1°
C8C9N22CO1177.1°172.2°
C8C9N22C616.5°3.1°
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H47C48C49H48145.6°66.2°
H47C48C49H4926.7°173.8°
H50C53H51H52120.0°120.0°
H53C54H54H55120.0°119.9°
H56C55C56H58162.1°175.0°
H56C55C56H5942.0°65.0°
H57C55C56H5878.5°54.9°
H57C55C56H59161.3°174.9°
H66CR1CR2H6729.0°2.8°
H67CR2CR3H6832.0°21.4°
H67CR2OR7H8657.3°61.1°
H68CR3CR4H69141.7°160.3°
H69CR4CR5H70145.5°66.9°
H69CR4CR5H7196.0°173.1°
H70CR5OR8H8759.3°55.5°
H71CR5OR8H8759.2°64.6°
H82N59CPR1H1319.7°116.3°
H82N59CPR1H1138.6°123.7°
H13CPR1CPR2H63176.1°65.9°
H1CPR1CPR2H6357.2°174.1°
H63CPR2CPR3H9059.1°180.0°
H63CPR2CPR3H88179.1°60.0°
H63CPR2CPR3H8960.9°60.0°
H90CPR3H88H89120.0°120.1°
H96CB10H95H94120.0°119.9°
H93CB11H91H92120.0°120.1°

249697

PDB entries from 2026-02-25

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