Summary Geometry PCM/PTM Related PDB entries

A1D7Q

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C71	C70	sing	1.53Å	1.52Å
C71	C72	sing	1.53Å	1.53Å
C70	C69	sing	1.53Å	1.53Å
C39	O40	doub	1.21Å	1.26Å
C39	C41	sing	1.51Å	1.53Å
C72	C73	sing	1.53Å	1.52Å
C69	C68	sing	1.53Å	1.52Å
C73	C74	sing	1.53Å	1.53Å
C68	C67	sing	1.53Å	1.52Å
C41	O42	sing	1.43Å	1.40Å
C67	C66	sing	1.53Å	1.53Å
C77	C78	sing	1.51Å	1.53Å
C77	C76	sing	1.53Å	1.52Å
O80	C78	doub	1.21Å	1.26Å
C43	O42	sing	1.43Å	1.40Å
C43	C44	sing	1.53Å	1.52Å
C74	C75	sing	1.53Å	1.53Å
C78	O79	sing	1.34Å	1.26Å
C76	C75	sing	1.53Å	1.52Å
C66	C65	sing	1.53Å	1.53Å
C64	C65	sing	1.53Å	1.53Å
C64	C63	sing	1.53Å	1.52Å
O45	C44	sing	1.43Å	1.40Å
O45	C46	sing	1.43Å	1.40Å
O55	C54	doub	1.21Å	1.26Å
O56	C54	sing	1.34Å	1.26Å
C54	C53	sing	1.51Å	1.52Å
C63	C62	sing	1.53Å	1.52Å
C46	C47	sing	1.53Å	1.52Å
C52	C53	sing	1.53Å	1.52Å
C52	C51	sing	1.53Å	1.52Å
N48	C47	sing	1.46Å	1.44Å
N48	C49	sing	1.35Å	1.45Å
C62	C61	sing	1.53Å	1.52Å
C53	N57	sing	1.47Å	1.45Å
C51	C49	sing	1.51Å	1.53Å
C49	O50	doub	1.21Å	1.18Å
C61	C60	sing	1.53Å	1.53Å
N57	C58	sing	1.35Å	1.45Å
O59	C58	doub	1.21Å	1.18Å
C58	C60	sing	1.51Å	1.52Å
C39	O1	sing	1.34Å	1.08Å
C41	H4	sing	1.09Å	1.10Å
C41	H5	sing	1.09Å	1.10Å
C43	H6	sing	1.09Å	1.10Å
C43	H7	sing	1.09Å	1.10Å
C44	H8	sing	1.09Å	1.10Å
C44	H9	sing	1.09Å	1.10Å
C46	H11	sing	1.09Å	1.10Å
C46	H10	sing	1.09Å	1.10Å
C47	H13	sing	1.09Å	1.10Å
C47	H12	sing	1.09Å	1.10Å
N48	H14	sing	0.97Å	1.00Å
C51	H15	sing	1.09Å	1.10Å
C51	H16	sing	1.09Å	1.10Å
C52	H18	sing	1.09Å	1.10Å
C52	H17	sing	1.09Å	1.10Å
C53	H19	sing	1.09Å	1.10Å
O56	H2	sing	0.97Å	0.95Å
N57	H21	sing	0.97Å	1.00Å
C60	H23	sing	1.09Å	1.10Å
C60	H22	sing	1.09Å	1.10Å
C61	H25	sing	1.09Å	1.10Å
C61	H24	sing	1.09Å	1.10Å
C62	H27	sing	1.09Å	1.10Å
C62	H26	sing	1.09Å	1.10Å
C63	H29	sing	1.09Å	1.10Å
C63	H28	sing	1.09Å	1.10Å
C64	H30	sing	1.09Å	1.10Å
C64	H31	sing	1.09Å	1.10Å
C65	H32	sing	1.09Å	1.10Å
C65	H33	sing	1.09Å	1.10Å
C66	H34	sing	1.09Å	1.10Å
C66	H35	sing	1.09Å	1.10Å
C67	H37	sing	1.09Å	1.10Å
C67	H36	sing	1.09Å	1.10Å
C68	H39	sing	1.09Å	1.10Å
C68	H38	sing	1.09Å	1.10Å
C69	H40	sing	1.09Å	1.10Å
C69	H41	sing	1.09Å	1.10Å
C70	H43	sing	1.09Å	1.10Å
C70	H42	sing	1.09Å	1.10Å
C71	H45	sing	1.09Å	1.10Å
C71	H44	sing	1.09Å	1.10Å
C72	H47	sing	1.09Å	1.10Å
C72	H46	sing	1.09Å	1.10Å
C73	H49	sing	1.09Å	1.10Å
C73	H48	sing	1.09Å	1.10Å
C74	H51	sing	1.09Å	1.10Å
C74	H50	sing	1.09Å	1.10Å
C75	H53	sing	1.09Å	1.10Å
C75	H52	sing	1.09Å	1.10Å
C76	H55	sing	1.09Å	1.10Å
C76	H54	sing	1.09Å	1.10Å
C77	H56	sing	1.09Å	1.10Å
C77	H57	sing	1.09Å	1.10Å
O79	H3	sing	0.97Å	0.95Å
O1	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C70	C71	C72	108.6°	109.5°
C71	C70	C69	107.8°	109.5°
C71	C70	H43	109.9°	109.4°
C71	C70	H42	109.9°	109.5°
C70	C71	H45	109.7°	109.5°
C70	C71	H44	109.7°	109.5°
C71	C72	C73	110.3°	109.5°
C72	C71	H45	109.7°	109.5°
C72	C71	H44	109.7°	109.5°
C71	C72	H47	109.3°	109.4°
C71	C72	H46	109.3°	109.4°
C70	C69	C68	110.5°	109.5°
C70	C69	H40	109.2°	109.5°
C70	C69	H41	109.2°	109.4°
C69	C70	H43	109.9°	109.5°
C69	C70	H42	109.9°	109.5°
O40	C39	C41	121.4°	119.9°
O40	C39	O1	119.3°	120.0°
C39	C41	O42	110.8°	109.5°
C41	C39	O1	119.3°	120.1°
C39	C41	H4	109.1°	109.5°
C39	C41	H5	109.1°	109.5°
C72	C73	C74	109.3°	109.4°
C73	C72	H47	109.3°	109.5°
C73	C72	H46	109.3°	109.5°
C72	C73	H49	109.5°	109.5°
C72	C73	H48	109.5°	109.4°
C69	C68	C67	108.7°	109.5°
C69	C68	H39	109.7°	109.5°
C69	C68	H38	109.7°	109.4°
C68	C69	H40	109.2°	109.5°
C68	C69	H41	109.2°	109.5°
C73	C74	C75	111.5°	109.5°
C74	C73	H49	109.5°	109.5°
C74	C73	H48	109.5°	109.5°
C73	C74	H51	108.9°	109.5°
C73	C74	H50	109.0°	109.5°
C68	C67	C66	108.2°	109.5°
C68	C67	H37	109.8°	109.4°
C68	C67	H36	109.8°	109.4°
C67	C68	H39	109.7°	109.5°
C67	C68	H38	109.7°	109.5°
C41	O42	C43	113.1°	114.0°
O42	C41	H4	109.1°	109.4°
O42	C41	H5	109.1°	109.5°
C67	C66	C65	115.4°	109.5°
C67	C66	H34	107.9°	109.5°
C67	C66	H35	108.0°	109.5°
C66	C67	H37	109.8°	109.5°
C66	C67	H36	109.8°	109.5°
C78	C77	C76	110.5°	109.5°
C77	C78	O80	119.7°	120.0°
C77	C78	O79	120.7°	120.0°
C78	C77	H56	109.2°	109.5°
C78	C77	H57	109.2°	109.5°
C77	C76	C75	109.6°	109.5°
C77	C76	H55	109.5°	109.5°
C77	C76	H54	109.5°	109.4°
C76	C77	H56	109.2°	109.5°
C76	C77	H57	109.2°	109.4°
O80	C78	O79	119.6°	120.0°
O42	C43	C44	110.5°	109.4°
O42	C43	H6	109.2°	109.5°
O42	C43	H7	109.2°	109.5°
C43	C44	O45	106.2°	109.5°
C44	C43	H6	109.2°	109.5°
C44	C43	H7	109.2°	109.4°
C43	C44	H8	110.3°	109.4°
C43	C44	H9	110.3°	109.5°
C74	C75	C76	109.8°	109.5°
C75	C74	H51	109.0°	109.4°
C75	C74	H50	108.9°	109.5°
C74	C75	H53	109.4°	109.4°
C74	C75	H52	109.4°	109.5°
C78	O79	H3	109.5°	117.0°
C76	C75	H53	109.4°	109.5°
C76	C75	H52	109.4°	109.5°
C75	C76	H55	109.4°	109.5°
C75	C76	H54	109.5°	109.5°
C66	C65	C64	114.3°	109.5°
C66	C65	H32	108.2°	109.5°
C66	C65	H33	108.3°	109.5°
C65	C66	H34	108.0°	109.5°
C65	C66	H35	108.0°	109.5°
C65	C64	C63	109.1°	109.5°
C65	C64	H30	109.6°	109.5°
C65	C64	H31	109.5°	109.5°
C64	C65	H32	108.3°	109.5°
C64	C65	H33	108.3°	109.4°
C64	C63	C62	110.1°	109.5°
C64	C63	H29	109.3°	109.5°
C64	C63	H28	109.3°	109.5°
C63	C64	H30	109.6°	109.5°
C63	C64	H31	109.6°	109.5°
C44	O45	C46	116.6°	114.0°
O45	C44	H8	110.3°	109.4°
O45	C44	H9	110.3°	109.5°
O45	C46	C47	107.9°	109.4°
O45	C46	H11	109.9°	109.4°
O45	C46	H10	109.9°	109.4°
O55	C54	O56	120.1°	120.0°
O55	C54	C53	120.8°	120.0°
O56	C54	C53	119.0°	120.0°
C54	O56	H2	109.5°	117.0°
C54	C53	C52	108.5°	109.5°
C54	C53	N57	111.5°	109.5°
C54	C53	H19	109.2°	109.5°
C63	C62	C61	108.7°	109.5°
C63	C62	H27	109.6°	109.5°
C63	C62	H26	109.7°	109.4°
C62	C63	H29	109.3°	109.5°
C62	C63	H28	109.3°	109.4°
C46	C47	N48	110.3°	109.5°
C47	C46	H11	109.8°	109.5°
C47	C46	H10	109.8°	109.5°
C46	C47	H13	109.2°	109.4°
C46	C47	H12	109.3°	109.5°
C53	C52	C51	109.3°	109.5°
C52	C53	N57	108.1°	109.5°
C53	C52	H18	109.5°	109.4°
C53	C52	H17	109.5°	109.4°
C52	C53	H19	109.2°	109.4°
C52	C51	C49	112.4°	109.4°
C52	C51	H15	108.7°	109.5°
C52	C51	H16	108.8°	109.5°
C51	C52	H18	109.5°	109.5°
C51	C52	H17	109.5°	109.5°
C47	N48	C49	119.7°	120.0°
N48	C47	H13	109.3°	109.5°
N48	C47	H12	109.3°	109.5°
C47	N48	H14	120.1°	120.0°
N48	C49	C51	122.2°	120.0°
N48	C49	O50	119.1°	120.0°
C49	N48	H14	120.1°	120.0°
C62	C61	C60	109.1°	109.5°
C62	C61	H25	109.6°	109.5°
C62	C61	H24	109.6°	109.5°
C61	C62	H27	109.7°	109.5°
C61	C62	H26	109.6°	109.5°
C53	N57	C58	122.3°	120.0°
N57	C53	H19	110.2°	109.4°
C53	N57	H21	118.8°	120.0°
C51	C49	O50	118.7°	120.0°
C49	C51	H15	108.7°	109.5°
C49	C51	H16	108.7°	109.4°
C61	C60	C58	108.3°	109.5°
C61	C60	H23	109.7°	109.5°
C61	C60	H22	109.8°	109.5°
C60	C61	H25	109.5°	109.4°
C60	C61	H24	109.6°	109.5°
N57	C58	O59	122.4°	120.0°
N57	C58	C60	118.2°	120.0°
C58	N57	H21	118.9°	120.0°
O59	C58	C60	119.4°	120.0°
C58	C60	H23	109.8°	109.4°
C58	C60	H22	109.7°	109.5°
C39	O1	H1	109.5°	117.0°
H4	C41	H5	109.5°	109.5°
H6	C43	H7	109.5°	109.5°
H8	C44	H9	109.5°	109.5°
H11	C46	H10	109.5°	109.5°
H13	C47	H12	109.5°	109.5°
H15	C51	H16	109.5°	109.5°
H18	C52	H17	109.5°	109.5°
H23	C60	H22	109.5°	109.4°
H25	C61	H24	109.4°	109.4°
H27	C62	H26	109.5°	109.5°
H29	C63	H28	109.5°	109.5°
H30	C64	H31	109.5°	109.5°
H32	C65	H33	109.5°	109.5°
H34	C66	H35	109.5°	109.4°
H37	C67	H36	109.5°	109.5°
H39	C68	H38	109.5°	109.5°
H40	C69	H41	109.5°	109.5°
H43	C70	H42	109.5°	109.4°
H45	C71	H44	109.5°	109.4°
H47	C72	H46	109.5°	109.5°
H49	C73	H48	109.5°	109.5°
H51	C74	H50	109.5°	109.5°
H53	C75	H52	109.4°	109.5°
H55	C76	H54	109.5°	109.5°
H56	C77	H57	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C70	C71	C72	H45	119.9°	120.0°
C70	C71	C72	H44	119.8°	120.1°
C71	C70	C69	H43	119.7°	120.0°
C71	C70	C69	H42	119.7°	120.1°
C70	C71	C72	C73	147.9°	180.0°
C71	C70	C69	C68	149.6°	180.0°
C71	C70	C69	H40	90.3°	60.0°
C71	C70	C69	H41	29.5°	60.0°
C71	C70	H43	H42	120.8°	120.0°
C70	C71	H45	H44	120.4°	120.0°
C70	C71	C72	H47	91.9°	60.0°
C70	C71	C72	H46	27.8°	60.0°
C72	C71	C70	C69	81.4°	180.0°
C71	C72	C73	H47	120.1°	120.0°
C71	C72	C73	H46	120.1°	119.9°
C71	C72	C73	C74	140.4°	180.0°
C72	C71	C70	H43	38.3°	60.0°
C72	C71	C70	H42	158.8°	60.0°
C72	C71	H45	H44	120.4°	120.0°
C71	C72	H47	H46	119.6°	119.9°
C71	C72	C73	H49	20.5°	60.0°
C71	C72	C73	H48	99.6°	60.0°
C70	C69	C68	H40	120.2°	120.0°
C70	C69	C68	H41	120.1°	119.9°
C70	C69	C68	C67	79.5°	180.0°
C70	C69	C68	H39	40.4°	60.0°
C70	C69	C68	H38	160.6°	60.0°
C70	C69	H40	H41	119.6°	120.0°
C69	C70	H43	H42	120.8°	120.0°
C69	C70	C71	H45	38.4°	60.0°
C69	C70	C71	H44	158.7°	60.0°
O40	C39	C41	O1	180.0°	179.7°
O40	C39	C41	O42	25.0°	0.0°
O40	C39	C41	H4	145.2°	120.0°
O40	C39	C41	H5	95.2°	120.0°
O40	C39	O1	H1	0.0°	0.1°
C39	C41	O42	H4	120.2°	120.0°
C39	C41	O42	H5	120.2°	120.1°
C39	C41	O42	C43	59.4°	180.0°
C39	C41	H4	H5	119.4°	120.0°
C41	C39	O1	H1	180.0°	179.8°
C72	C73	C74	H49	120.0°	120.0°
C72	C73	C74	H48	120.0°	120.0°
C72	C73	C74	C75	75.5°	179.9°
C73	C72	C71	H45	28.1°	60.0°
C73	C72	C71	H44	92.2°	60.0°
C73	C72	H47	H46	119.7°	120.1°
C72	C73	H49	H48	120.1°	120.0°
C72	C73	C74	H51	164.1°	60.0°
C72	C73	C74	H50	44.8°	60.0°
C69	C68	C67	H39	119.9°	120.0°
C69	C68	C67	H38	119.9°	120.0°
C69	C68	C67	C66	85.0°	180.0°
C69	C68	C67	H37	34.8°	60.0°
C69	C68	C67	H36	155.1°	60.0°
C69	C68	H39	H38	120.3°	120.0°
C68	C69	H40	H41	119.5°	120.0°
C68	C69	C70	H43	29.9°	60.0°
C68	C69	C70	H42	90.7°	60.0°
C73	C74	C75	H51	120.3°	120.0°
C73	C74	C75	H50	120.3°	120.1°
C73	C74	C75	C76	67.6°	180.0°
C74	C73	C72	H47	99.4°	60.0°
C74	C73	C72	H46	20.4°	60.0°
C74	C73	H49	H48	120.1°	120.0°
C73	C74	H51	H50	119.1°	120.0°
C73	C74	C75	H53	172.3°	60.0°
C73	C74	C75	H52	52.5°	59.9°
C68	C67	C66	H37	119.8°	120.0°
C68	C67	C66	H36	119.8°	120.0°
C68	C67	C66	C65	160.8°	180.0°
C68	C67	C66	H34	78.3°	60.0°
C68	C67	C66	H35	40.0°	59.9°
C68	C67	H37	H36	120.6°	119.9°
C67	C68	H39	H38	120.4°	120.0°
C67	C68	C69	H40	160.3°	60.0°
C67	C68	C69	H41	40.6°	60.1°
C41	O42	C43	C44	152.4°	180.0°
O42	C41	C39	O1	155.1°	179.7°
O42	C41	H4	H5	119.4°	120.0°
C41	O42	C43	H6	87.4°	60.0°
C41	O42	C43	H7	32.3°	60.0°
C67	C66	C65	H34	120.8°	120.0°
C67	C66	C65	H35	120.9°	120.0°
C67	C66	C65	C64	14.5°	180.0°
C67	C66	C65	H32	106.2°	60.0°
C67	C66	C65	H33	135.2°	60.0°
C67	C66	H34	H35	117.3°	120.0°
C66	C67	H37	H36	120.6°	120.1°
C66	C67	C68	H39	155.1°	60.0°
C66	C67	C68	H38	34.9°	60.0°
C78	C77	C76	H56	120.2°	120.0°
C78	C77	C76	H57	120.2°	120.0°
C77	C78	O80	O79	179.4°	180.0°
C78	C77	C76	C75	67.4°	180.0°
C78	C77	C76	H55	52.6°	60.0°
C78	C77	C76	H54	172.6°	60.0°
C78	C77	H56	H57	119.5°	120.0°
C77	C78	O79	H3	179.4°	180.0°
C76	C77	C78	O80	163.2°	0.0°
C77	C76	C75	C74	114.3°	179.9°
C76	C77	C78	O79	16.2°	180.0°
C77	C76	C75	H55	120.0°	120.0°
C77	C76	C75	H54	120.0°	120.0°
C77	C76	C75	H53	125.7°	60.0°
C77	C76	C75	H52	5.8°	60.0°
C77	C76	H55	H54	120.0°	119.9°
C76	C77	H56	H57	119.5°	120.0°
O80	C78	C77	H56	76.6°	120.0°
O80	C78	C77	H57	43.0°	120.0°
O80	C78	O79	H3	0.0°	0.0°
O42	C43	C44	H6	120.2°	120.0°
O42	C43	C44	H7	120.1°	120.0°
O42	C43	C44	O45	142.8°	65.0°
C43	O42	C41	H4	60.8°	60.0°
C43	O42	C41	H5	179.6°	59.9°
O42	C43	H6	H7	119.5°	120.0°
O42	C43	C44	H8	97.7°	175.0°
O42	C43	C44	H9	23.3°	55.0°
C43	C44	O45	H8	119.5°	120.0°
C43	C44	O45	H9	119.5°	120.1°
C43	C44	O45	C46	135.8°	180.0°
C44	C43	H6	H7	119.5°	120.0°
C43	C44	H8	H9	121.5°	120.0°
C74	C75	C76	H53	120.1°	119.9°
C74	C75	C76	H52	120.1°	120.1°
C75	C74	C73	H49	44.4°	60.0°
C75	C74	C73	H48	164.5°	60.0°
C75	C74	H51	H50	119.1°	120.0°
C74	C75	H53	H52	119.8°	120.0°
C74	C75	C76	H55	125.7°	60.0°
C74	C75	C76	H54	5.8°	60.0°
O79	C78	C77	H56	103.9°	60.1°
O79	C78	C77	H57	136.4°	60.0°
C76	C75	C74	H51	52.7°	60.0°
C76	C75	C74	H50	172.1°	59.9°
C76	C75	H53	H52	119.8°	120.0°
C75	C76	H55	H54	119.9°	120.0°
C75	C76	C77	H56	172.5°	60.0°
C75	C76	C77	H57	52.8°	60.0°
C66	C65	C64	H32	120.7°	120.1°
C66	C65	C64	H33	120.7°	120.0°
C66	C65	C64	C63	173.7°	180.0°
C66	C65	C64	H30	66.4°	60.0°
C66	C65	C64	H31	53.8°	60.0°
C66	C65	H32	H33	117.8°	120.0°
C65	C66	H34	H35	117.3°	120.0°
C65	C66	C67	H37	41.0°	60.0°
C65	C66	C67	H36	79.3°	60.1°
C65	C64	C63	H30	119.9°	120.0°
C65	C64	C63	H31	119.9°	120.0°
C65	C64	C63	C62	65.3°	180.0°
C65	C64	C63	H29	174.6°	60.0°
C65	C64	C63	H28	54.8°	60.0°
C65	C64	H30	H31	120.2°	120.0°
C64	C65	H32	H33	117.8°	119.9°
C64	C65	C66	H34	135.3°	59.9°
C64	C65	C66	H35	106.4°	60.0°
C64	C63	C62	H29	120.1°	120.0°
C64	C63	C62	H28	120.1°	120.0°
C64	C63	C62	C61	157.7°	180.0°
C64	C63	C62	H27	82.4°	60.0°
C64	C63	C62	H26	37.8°	60.0°
C64	C63	H29	H28	119.7°	120.0°
C63	C64	H30	H31	120.2°	120.0°
C63	C64	C65	H32	53.0°	60.0°
C63	C64	C65	H33	65.6°	60.0°
C44	O45	C46	C47	115.7°	180.0°
O45	C44	C43	H6	22.7°	55.0°
O45	C44	C43	H7	97.0°	175.0°
O45	C44	H8	H9	121.5°	120.0°
C44	O45	C46	H11	4.0°	60.0°
C44	O45	C46	H10	124.5°	60.0°
O45	C46	C47	H11	119.8°	120.0°
O45	C46	C47	H10	119.8°	119.9°
O45	C46	C47	N48	26.1°	65.0°
C46	O45	C44	H8	104.7°	60.0°
C46	O45	C44	H9	16.3°	60.0°
O45	C46	H11	H10	120.7°	120.0°
O45	C46	C47	H13	146.2°	175.0°
O45	C46	C47	H12	94.0°	55.0°
O55	C54	O56	C53	179.6°	180.0°
O55	C54	C53	C52	81.1°	120.0°
O55	C54	C53	N57	37.8°	0.0°
O55	C54	C53	H19	159.9°	120.0°
O55	C54	O56	H2	0.0°	0.0°
O56	C54	C53	C52	98.5°	60.0°
O56	C54	C53	N57	142.6°	180.0°
O56	C54	C53	H19	20.5°	60.0°
C54	C53	C52	N57	121.1°	120.0°
C54	C53	C52	H19	119.0°	120.1°
C54	C53	C52	C51	140.5°	175.0°
C54	C53	N57	H19	121.5°	120.1°
C54	C53	N57	C58	45.9°	85.0°
C54	C53	C52	H18	99.5°	55.0°
C54	C53	C52	H17	20.6°	65.0°
C53	C54	O56	H2	179.6°	180.0°
C54	C53	N57	H21	134.1°	95.0°
C63	C62	C61	H27	119.9°	120.0°
C63	C62	C61	H26	119.9°	120.0°
C63	C62	C61	C60	64.5°	180.0°
C63	C62	C61	H25	175.6°	60.0°
C63	C62	C61	H24	55.5°	60.0°
C63	C62	H27	H26	120.4°	120.0°
C62	C63	H29	H28	119.7°	119.9°
C62	C63	C64	H30	54.7°	60.0°
C62	C63	C64	H31	174.8°	60.0°
C46	C47	N48	H13	120.1°	119.9°
C46	C47	N48	H12	120.1°	120.0°
C46	C47	N48	C49	73.8°	180.0°
C47	C46	H11	H10	120.7°	120.1°
C46	C47	H13	H12	119.6°	120.0°
C46	C47	N48	H14	106.2°	0.1°
C53	C52	C51	H18	120.0°	120.0°
C53	C52	C51	H17	119.9°	119.9°
C52	C53	N57	H19	119.3°	119.9°
C53	C52	C51	C49	71.1°	180.0°
C52	C53	N57	C58	165.1°	155.0°
C53	C52	C51	H15	49.3°	60.0°
C53	C52	C51	H16	168.4°	60.1°
C53	C52	H18	H17	120.0°	120.0°
C52	C53	N57	H21	14.9°	25.0°
C52	C51	C49	N48	3.2°	180.0°
C51	C52	C53	N57	98.4°	65.0°
C52	C51	C49	H15	120.4°	120.0°
C52	C51	C49	H16	120.5°	120.0°
C52	C51	C49	O50	176.9°	0.0°
C52	C51	H15	H16	118.7°	120.0°
C51	C52	H18	H17	120.1°	120.0°
C51	C52	C53	H19	21.5°	55.0°
C47	N48	C49	H14	180.0°	179.9°
C47	N48	C49	C51	179.9°	180.0°
C47	N48	C49	O50	0.2°	0.0°
N48	C47	C46	H11	93.6°	54.9°
N48	C47	C46	H10	145.9°	175.0°
N48	C47	H13	H12	119.6°	120.1°
N48	C49	C51	O50	179.9°	180.0°
C49	N48	C47	H13	46.3°	60.1°
C49	N48	C47	H12	166.0°	60.0°
N48	C49	C51	H15	123.7°	60.0°
N48	C49	C51	H16	117.2°	60.0°
C62	C61	C60	H25	120.0°	120.0°
C62	C61	C60	H24	120.0°	120.1°
C62	C61	C60	C58	97.0°	180.0°
C62	C61	C60	H23	22.8°	60.0°
C62	C61	C60	H22	143.2°	60.0°
C62	C61	H25	H24	120.2°	120.0°
C61	C62	H27	H26	120.3°	120.0°
C61	C62	C63	H29	37.6°	60.0°
C61	C62	C63	H28	82.2°	60.0°
C53	N57	C58	H21	180.0°	180.0°
C53	N57	C58	O59	0.4°	0.1°
C53	N57	C58	C60	179.6°	180.0°
N57	C53	C52	H18	21.6°	175.0°
N57	C53	C52	H17	141.7°	55.0°
C51	C49	N48	H14	0.1°	0.0°
C49	C51	H15	H16	118.6°	120.0°
C49	C51	C52	H18	168.9°	60.0°
C49	C51	C52	H17	48.8°	60.1°
O50	C49	N48	H14	179.8°	180.0°
O50	C49	C51	H15	56.4°	120.0°
O50	C49	C51	H16	62.7°	120.0°
C61	C60	C58	N57	60.5°	180.0°
C61	C60	C58	O59	118.6°	0.1°
C61	C60	C58	H23	119.8°	120.0°
C61	C60	C58	H22	119.8°	120.1°
C61	C60	H23	H22	120.5°	120.1°
C60	C61	H25	H24	120.1°	120.0°
C60	C61	C62	H27	55.4°	60.0°
C60	C61	C62	H26	175.6°	60.0°
N57	C58	O59	C60	179.1°	179.9°
C58	N57	C53	H19	75.6°	35.1°
N57	C58	C60	H23	179.7°	60.0°
N57	C58	C60	H22	59.3°	59.9°
O59	C58	N57	H21	179.5°	180.0°
O59	C58	C60	H23	1.2°	120.1°
O59	C58	C60	H22	121.5°	120.0°
C60	C58	N57	H21	0.4°	0.0°
C58	C60	H23	H22	120.5°	119.9°
C58	C60	C61	H25	143.1°	60.0°
C58	C60	C61	H24	23.0°	59.9°
O1	C39	C41	H4	34.9°	59.7°
O1	C39	C41	H5	84.7°	60.3°
H6	C43	C44	H8	142.2°	65.0°
H6	C43	C44	H9	96.8°	175.0°
H7	C43	C44	H8	22.5°	55.0°
H7	C43	C44	H9	143.5°	65.0°
H11	C46	C47	H13	26.5°	65.0°
H11	C46	C47	H12	146.2°	175.0°
H10	C46	C47	H13	94.0°	55.1°
H10	C46	C47	H12	25.7°	64.9°
H13	C47	N48	H14	133.7°	120.0°
H12	C47	N48	H14	13.9°	120.0°
H15	C51	C52	H18	70.7°	180.0°
H15	C51	C52	H17	169.2°	59.9°
H16	C51	C52	H18	48.4°	59.9°
H16	C51	C52	H17	71.6°	180.0°
H18	C52	C53	H19	141.5°	65.0°
H17	C52	C53	H19	98.4°	174.9°
H19	C53	N57	H21	104.4°	145.0°
H23	C60	C61	H25	97.1°	180.0°
H23	C60	C61	H24	142.8°	60.0°
H22	C60	C61	H25	23.2°	60.0°
H22	C60	C61	H24	96.8°	180.0°
H25	C61	C62	H27	64.6°	180.0°
H25	C61	C62	H26	55.7°	59.9°
H24	C61	C62	H27	175.3°	60.0°
H24	C61	C62	H26	64.4°	179.9°
H27	C62	C63	H29	157.5°	179.9°
H27	C62	C63	H28	37.7°	60.0°
H26	C62	C63	H29	82.3°	60.0°
H26	C62	C63	H28	157.9°	180.0°
H29	C63	C64	H30	65.4°	180.0°
H29	C63	C64	H31	54.7°	60.0°
H28	C63	C64	H30	174.8°	60.0°
H28	C63	C64	H31	65.1°	180.0°
H30	C64	C65	H32	172.9°	180.0°
H30	C64	C65	H33	54.4°	60.0°
H31	C64	C65	H32	66.9°	60.1°
H31	C64	C65	H33	174.5°	180.0°
H32	C65	C66	H34	14.6°	180.0°
H32	C65	C66	H35	132.9°	60.0°
H33	C65	C66	H34	104.0°	60.0°
H33	C65	C66	H35	14.3°	180.0°
H34	C66	C67	H37	161.9°	179.9°
H34	C66	C67	H36	41.5°	60.0°
H35	C66	C67	H37	79.9°	60.0°
H35	C66	C67	H36	159.8°	179.9°
H37	C67	C68	H39	85.1°	180.0°
H37	C67	C68	H38	154.7°	60.0°
H36	C67	C68	H39	35.3°	60.0°
H36	C67	C68	H38	85.0°	180.0°
H39	C68	C69	H40	79.8°	180.0°
H39	C68	C69	H41	160.5°	59.9°
H38	C68	C69	H40	40.4°	60.0°
H38	C68	C69	H41	79.3°	180.0°
H40	C69	C70	H43	150.0°	180.0°
H40	C69	C70	H42	29.5°	60.0°
H41	C69	C70	H43	90.3°	60.0°
H41	C69	C70	H42	149.2°	179.9°
H43	C70	C71	H45	158.2°	179.9°
H43	C70	C71	H44	81.5°	60.0°
H42	C70	C71	H45	81.3°	60.1°
H42	C70	C71	H44	39.0°	NaN°
H45	C71	C72	H47	148.2°	180.0°
H45	C71	C72	H46	92.0°	60.0°
H44	C71	C72	H47	27.9°	60.1°
H44	C71	C72	H46	147.7°	179.9°
H47	C72	C73	H49	140.6°	179.9°
H47	C72	C73	H48	20.5°	60.0°
H46	C72	C73	H49	99.6°	60.0°
H46	C72	C73	H48	140.3°	180.0°
H49	C73	C74	H51	75.9°	180.0°
H49	C73	C74	H50	164.7°	60.0°
H48	C73	C74	H51	44.2°	60.0°
H48	C73	C74	H50	75.2°	180.0°
H51	C74	C75	H53	67.3°	180.0°
H51	C74	C75	H52	172.8°	60.0°
H50	C74	C75	H53	52.0°	60.0°
H50	C74	C75	H52	67.8°	180.0°
H53	C75	C76	H55	5.7°	180.0°
H53	C75	C76	H54	114.3°	60.0°
H52	C75	C76	H55	114.2°	60.0°
H52	C75	C76	H54	125.9°	180.0°
H55	C76	C77	H56	67.5°	180.0°
H55	C76	C77	H57	172.8°	60.0°
H54	C76	C77	H56	52.4°	60.0°
H54	C76	C77	H57	67.3°	180.0°

Release date:	2025-04-16
Definition date:	2024-04-10
Last modified:	2025-04-11
Release status:	REL
Processing site:	PDBC
Derived from:	8YWF