GXB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OAM	CAK	doub	1.21Å	1.20Å
OAJ	CAJ	sing	1.43Å	1.44Å
OAK	CAK	sing	1.34Å	1.17Å
OAI	CAI	sing	1.43Å	1.44Å
CAK	CAA	sing	1.51Å	1.49Å
CAJ	CAI	sing	1.53Å	1.52Å
CAI	CAH	sing	1.53Å	1.52Å
CAL	OAL	sing	1.43Å	1.40Å
CAL	C23	sing	1.51Å	1.53Å
CAA	OAA	sing	1.43Å	1.43Å
CAA	OAL	sing	1.43Å	1.42Å
CAA	CAB	sing	1.53Å	1.52Å
CAE	CAH	sing	1.53Å	1.53Å
CAE	OAA	sing	1.43Å	1.42Å
CAE	CAD	sing	1.53Å	1.50Å
CAH	OAH	sing	1.43Å	1.37Å
N24	C23	sing	1.34Å	1.29Å	Aromatic
N24	N25	doub	1.29Å	1.28Å	Aromatic
C23	C27	doub	1.35Å	1.43Å	Aromatic
NAD	CAD	sing	1.47Å	1.47Å
NAD	CAF	sing	1.35Å	1.36Å
CAC	CAB	sing	1.53Å	1.46Å
CAC	CAD	sing	1.53Å	1.49Å
CAC	OAC	sing	1.43Å	1.41Å
N25	N26	sing	1.29Å	1.27Å	Aromatic
CAG	CAF	sing	1.51Å	1.54Å
C27	N26	sing	1.35Å	1.32Å	Aromatic
CAF	OAF	doub	1.21Å	1.09Å
CAE	H1	sing	1.09Å	1.10Å
CAH	H2	sing	1.09Å	1.10Å
CAJ	H3	sing	1.09Å	1.10Å
CAJ	H4	sing	1.09Å	1.10Å
C27	H6	sing	1.08Å	1.08Å
CAG	H7	sing	1.09Å	1.10Å
CAG	H8	sing	1.09Å	1.10Å
CAG	H9	sing	1.09Å	1.10Å
CAD	H11	sing	1.09Å	1.10Å
CAC	H12	sing	1.09Å	1.10Å
CAB	H13	sing	1.09Å	1.10Å
CAB	H14	sing	1.09Å	1.10Å
CAI	H15	sing	1.09Å	1.10Å
OAJ	H16	sing	0.97Å	0.95Å
OAI	H17	sing	0.97Å	0.95Å
OAH	H18	sing	0.97Å	0.95Å
OAK	H19	sing	0.97Å	0.95Å
OAC	H20	sing	0.97Å	0.95Å
CAL	H21	sing	1.09Å	1.10Å
CAL	H22	sing	1.09Å	1.10Å
N26	C1	sing	1.47Å	53.49Å
C1	C2	sing	1.51Å	0.00Å
C2	C3	doub	1.38Å	0.00Å	Aromatic
C2	C4	sing	1.38Å	0.00Å	Aromatic
C4	C5	doub	1.38Å	0.00Å	Aromatic
C3	C6	sing	1.38Å	0.00Å	Aromatic
C6	C7	doub	1.40Å	0.00Å	Aromatic
C5	C7	sing	1.40Å	0.00Å	Aromatic
C7	C8	sing	1.48Å	0.00Å
C8	N1	sing	1.35Å	0.00Å
C8	O1	doub	1.22Å	0.00Å
N1	C15	sing	1.46Å	0.00Å
N1	C16	sing	1.46Å	0.00Å
C16	C9	sing	1.53Å	0.00Å
C9	N2	sing	1.47Å	0.00Å
N2	C18	sing	1.35Å	0.00Å
C18	C19	sing	1.51Å	0.00Å
C18	O2	doub	1.21Å	0.00Å
C19	C21	sing	1.53Å	0.00Å
C21	C24	sing	1.51Å	0.00Å
C24	O3	doub	1.21Å	0.00Å
C24	N3	sing	1.35Å	0.00Å
C15	C14	sing	1.53Å	0.00Å
C14	N4	sing	1.46Å	0.00Å
N4	C25	sing	1.35Å	0.00Å
C25	C26	sing	1.51Å	0.00Å
C26	C28	sing	1.53Å	0.00Å
C28	C29	sing	1.51Å	0.00Å
C29	N5	sing	1.35Å	0.00Å
N5	C31	sing	1.47Å	0.00Å
C31	C32	sing	1.53Å	0.00Å
C32	O6	sing	1.43Å	0.00Å
O6	C34	sing	1.43Å	0.00Å
C34	C35	sing	1.53Å	0.00Å
C35	O15	sing	1.43Å	0.00Å
O15	C37	sing	1.43Å	0.00Å
C37	C38	sing	1.53Å	0.00Å
C38	N6	sing	1.46Å	0.00Å
N6	C40	sing	1.35Å	0.00Å
C40	C41	sing	1.51Å	0.00Å
C41	C42	sing	1.53Å	0.00Å
C42	C43	sing	1.51Å	0.00Å
C43	N7	sing	1.35Å	0.00Å
N7	C45	sing	1.47Å	0.00Å
C45	C20	sing	1.53Å	0.00Å
C20	O9	sing	1.43Å	0.00Å
O9	C39	sing	1.43Å	0.00Å
C39	C44	sing	1.53Å	0.00Å
C44	O10	sing	1.43Å	0.00Å
O10	C47	sing	1.43Å	0.00Å
C47	C48	sing	1.53Å	0.00Å
C48	N8	sing	1.46Å	0.00Å
N8	C50	sing	1.35Å	0.00Å
C50	C51	sing	1.51Å	0.00Å
C51	C52	sing	1.53Å	0.00Å
C52	C53	sing	1.51Å	0.00Å
C53	N9	sing	1.35Å	0.00Å
N9	C55	sing	1.47Å	0.00Å
C55	C56	sing	1.53Å	0.00Å
C56	O13	sing	1.43Å	0.00Å
O13	C58	sing	1.43Å	0.00Å
C58	C59	sing	1.53Å	0.00Å
C59	O17	sing	1.43Å	0.00Å
O17	C61	sing	1.43Å	0.00Å
C61	C62	sing	1.53Å	0.00Å
C62	N10	sing	1.46Å	0.00Å
N10	C49	sing	1.35Å	0.00Å
C49	C54	sing	1.51Å	0.00Å
C54	C63	sing	1.53Å	0.00Å
C63	C64	sing	1.51Å	0.00Å
C64	N11	sing	1.35Å	0.00Å
N11	C66	sing	1.47Å	0.00Å
C66	C67	sing	1.53Å	0.00Å
C67	N12	sing	1.46Å	0.00Å
N12	C69	sing	1.35Å	0.00Å
N12	C70	sing	1.47Å	0.00Å
C70	C71	sing	1.53Å	0.00Å
C71	N13	sing	1.47Å	0.00Å
N13	C74	sing	1.35Å	0.00Å
C25	O4	doub	1.21Å	0.00Å
C29	O5	doub	1.21Å	0.00Å
C40	O7	doub	1.21Å	0.00Å
C43	O8	doub	1.21Å	0.00Å
C50	O11	doub	1.21Å	0.00Å
C53	O12	doub	1.21Å	0.00Å
C49	O22	doub	1.21Å	0.00Å
C64	O23	doub	1.21Å	0.00Å
C74	O24	doub	1.21Å	0.00Å
C74	C33	sing	1.51Å	0.00Å
C69	C30	sing	1.48Å	0.00Å
C69	O14	doub	1.22Å	0.00Å
C30	C57	sing	1.40Å	0.00Å	Aromatic
C30	C60	doub	1.40Å	0.00Å	Aromatic
C60	C65	sing	1.38Å	0.00Å	Aromatic
C57	C68	doub	1.38Å	0.00Å	Aromatic
C68	C72	sing	1.38Å	0.00Å	Aromatic
C65	C72	doub	1.38Å	0.00Å	Aromatic
N14	N15	sing	1.29Å	0.00Å	Aromatic
N14	C76	sing	1.35Å	0.00Å	Aromatic
N15	N16	doub	1.29Å	0.00Å	Aromatic
C76	C78	doub	1.35Å	0.00Å	Aromatic
C78	N16	sing	1.34Å	0.00Å	Aromatic
C78	CBL	sing	1.51Å	0.00Å
CBL	OBL	sing	1.43Å	0.00Å
OBL	CBA	sing	1.43Å	0.00Å
CBA	OBA	sing	1.43Å	0.00Å
CBA	CBB	sing	1.53Å	0.00Å
CBA	CBK	sing	1.51Å	0.00Å
CBK	OBK	sing	1.34Å	0.00Å
CBK	OBM	doub	1.21Å	0.00Å
OBA	CBE	sing	1.43Å	0.00Å
CBB	CBC	sing	1.53Å	0.00Å
CBC	CBD	sing	1.53Å	0.00Å
CBE	CBD	sing	1.53Å	0.00Å
CBC	OBC	sing	1.43Å	0.00Å
CBD	NBD	sing	1.47Å	0.00Å
NBD	CBF	sing	1.35Å	0.00Å
CBF	CBG	sing	1.51Å	0.00Å
CBF	OBF	doub	1.21Å	0.00Å
CBE	CBH	sing	1.53Å	0.00Å
CBH	CBI	sing	1.53Å	0.00Å
CBH	OBH	sing	1.43Å	0.00Å
CBI	CBJ	sing	1.53Å	0.00Å
CBI	OBI	sing	1.43Å	0.00Å
CBJ	OBJ	sing	1.43Å	0.00Å
C1	H5	sing	1.09Å	0.00Å
C1	H10	sing	1.09Å	0.00Å
C3	H23	sing	1.08Å	0.00Å
C4	H24	sing	1.08Å	0.00Å
C5	H25	sing	1.08Å	0.00Å
C6	H26	sing	1.08Å	0.00Å
C15	H27	sing	1.09Å	0.00Å
C15	H28	sing	1.09Å	0.00Å
C16	H29	sing	1.09Å	0.00Å
C16	H30	sing	1.09Å	0.00Å
C9	H31	sing	1.09Å	0.00Å
C9	H32	sing	1.09Å	0.00Å
N2	H33	sing	0.97Å	0.00Å
C19	H34	sing	1.09Å	0.00Å
C19	H35	sing	1.09Å	0.00Å
C21	H36	sing	1.09Å	0.00Å
C21	H37	sing	1.09Å	0.00Å
N3	H38	sing	0.97Å	0.00Å
N3	H39	sing	0.97Å	0.00Å
C14	H40	sing	1.09Å	0.00Å
C14	H41	sing	1.09Å	0.00Å
N4	H42	sing	0.97Å	0.00Å
C26	H43	sing	1.09Å	0.00Å
C26	H44	sing	1.09Å	0.00Å
C28	H45	sing	1.09Å	0.00Å
C28	H46	sing	1.09Å	0.00Å
N5	H47	sing	0.97Å	0.00Å
C31	H48	sing	1.09Å	0.00Å
C31	H49	sing	1.09Å	0.00Å
C32	H50	sing	1.09Å	0.00Å
C32	H51	sing	1.09Å	0.00Å
C34	H52	sing	1.09Å	0.00Å
C34	H53	sing	1.09Å	0.00Å
C35	H54	sing	1.09Å	0.00Å
C35	H55	sing	1.09Å	0.00Å
C37	H58	sing	1.09Å	0.00Å
C37	H59	sing	1.09Å	0.00Å
C38	H60	sing	1.09Å	0.00Å
C38	H61	sing	1.09Å	0.00Å
N6	H62	sing	0.97Å	0.00Å
C41	H63	sing	1.09Å	0.00Å
C41	H64	sing	1.09Å	0.00Å
C42	H65	sing	1.09Å	0.00Å
C42	H66	sing	1.09Å	0.00Å
N7	H67	sing	0.97Å	0.00Å
C45	H68	sing	1.09Å	0.00Å
C45	H69	sing	1.09Å	0.00Å
C20	H70	sing	1.09Å	0.00Å
C20	H71	sing	1.09Å	0.00Å
C39	H72	sing	1.09Å	0.00Å
C39	H73	sing	1.09Å	0.00Å
C44	H74	sing	1.09Å	0.00Å
C44	H75	sing	1.09Å	0.00Å
C47	H76	sing	1.09Å	0.00Å
C47	H77	sing	1.09Å	0.00Å
C48	H78	sing	1.09Å	0.00Å
C48	H79	sing	1.09Å	0.00Å
N8	H80	sing	0.97Å	0.00Å
C51	H81	sing	1.09Å	0.00Å
C51	H82	sing	1.09Å	0.00Å
C52	H83	sing	1.09Å	0.00Å
C52	H84	sing	1.09Å	0.00Å
N9	H85	sing	0.97Å	0.00Å
C55	H86	sing	1.09Å	0.00Å
C55	H87	sing	1.09Å	0.00Å
C56	H88	sing	1.09Å	0.00Å
C56	H89	sing	1.09Å	0.00Å
C58	H90	sing	1.09Å	0.00Å
C58	H91	sing	1.09Å	0.00Å
C59	H92	sing	1.09Å	0.00Å
C59	H93	sing	1.09Å	0.00Å
C61	H94	sing	1.09Å	0.00Å
C61	H95	sing	1.09Å	0.00Å
C62	H96	sing	1.09Å	0.00Å
C62	H97	sing	1.09Å	0.00Å
N10	H98	sing	0.97Å	0.00Å
C54	H99	sing	1.09Å	0.00Å
C54	H100	sing	1.09Å	0.00Å
C63	H101	sing	1.09Å	0.00Å
C63	H102	sing	1.09Å	0.00Å
N11	H103	sing	0.97Å	0.00Å
C66	H104	sing	1.09Å	0.00Å
C66	H105	sing	1.09Å	0.00Å
C67	H106	sing	1.09Å	0.00Å
C67	H107	sing	1.09Å	0.00Å
C72	C10	sing	1.51Å	0.00Å
N14	C10	sing	1.46Å	0.00Å
C76	H56	sing	1.08Å	0.00Å
C68	H57	sing	1.08Å	0.00Å
C57	H108	sing	1.08Å	0.00Å
C60	H110	sing	1.08Å	0.00Å
C65	H109	sing	1.08Å	0.00Å
OBJ	H111	sing	0.97Å	0.00Å
OBH	H113	sing	0.97Å	0.00Å
OBI	H112	sing	0.97Å	0.00Å
CBJ	H116	sing	1.09Å	0.00Å
CBJ	H117	sing	1.09Å	0.00Å
CBI	H115	sing	1.09Å	0.00Å
CBH	H114	sing	1.09Å	0.00Å
CBE	H119	sing	1.09Å	0.00Å
CBD	H118	sing	1.09Å	0.00Å
CBC	H120	sing	1.09Å	0.00Å
CBB	H121	sing	1.09Å	0.00Å
OBC	H122	sing	0.97Å	0.00Å
CBB	H123	sing	1.09Å	0.00Å
CBG	H124	sing	1.09Å	0.00Å
CBG	H125	sing	1.09Å	0.00Å
CBG	H126	sing	1.09Å	0.00Å
OBK	H127	sing	0.97Å	0.00Å
CBL	H128	sing	1.09Å	0.00Å
CBL	H129	sing	1.09Å	0.00Å
C10	H131	sing	1.09Å	0.00Å
C10	H130	sing	1.09Å	0.00Å
C70	H132	sing	1.09Å	0.00Å
C70	H133	sing	1.09Å	0.00Å
C71	H134	sing	1.09Å	0.00Å
C71	H135	sing	1.09Å	0.00Å
N13	H136	sing	0.97Å	0.00Å
C33	H139	sing	1.09Å	0.00Å
C33	H137	sing	1.09Å	0.00Å
C33	H138	sing	1.09Å	0.00Å
NBD	H141	sing	0.97Å	0.00Å
NAD	H140	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OAM	CAK	OAK	114.1°	120.0°
OAM	CAK	CAA	125.1°	120.0°
OAJ	CAJ	CAI	105.9°	109.5°
OAJ	CAJ	H3	110.4°	109.5°
OAJ	CAJ	H4	110.4°	109.5°
CAJ	OAJ	H16	109.5°	114.0°
OAK	CAK	CAA	120.8°	120.0°
CAK	OAK	H19	109.5°	117.0°
OAI	CAI	CAJ	105.9°	109.5°
OAI	CAI	CAH	110.7°	109.5°
OAI	CAI	H15	110.5°	109.5°
CAI	OAI	H17	109.5°	114.0°
CAK	CAA	OAA	107.4°	109.5°
CAK	CAA	OAL	112.6°	109.5°
CAK	CAA	CAB	112.3°	109.5°
CAJ	CAI	CAH	111.3°	109.5°
CAI	CAJ	H3	110.4°	109.5°
CAI	CAJ	H4	110.4°	109.4°
CAJ	CAI	H15	109.2°	109.4°
CAI	CAH	CAE	115.7°	109.5°
CAI	CAH	OAH	108.7°	109.5°
CAI	CAH	H2	107.1°	109.4°
CAH	CAI	H15	109.2°	109.4°
OAL	CAL	C23	105.9°	109.5°
CAL	OAL	CAA	117.3°	114.0°
OAL	CAL	H21	110.4°	109.5°
OAL	CAL	H22	110.4°	109.5°
CAL	C23	N24	123.0°	126.8°
CAL	C23	C27	131.5°	126.7°
C23	CAL	H21	110.4°	109.5°
C23	CAL	H22	110.4°	109.4°
OAA	CAA	OAL	104.6°	109.5°
OAA	CAA	CAB	106.4°	109.4°
CAA	OAA	CAE	117.9°	114.1°
OAL	CAA	CAB	112.9°	109.5°
CAA	CAB	CAC	114.7°	109.2°
CAA	CAB	H13	108.1°	109.5°
CAA	CAB	H14	108.1°	109.6°
CAH	CAE	OAA	108.4°	109.4°
CAH	CAE	CAD	119.2°	109.5°
CAE	CAH	OAH	109.2°	109.5°
CAH	CAE	H1	105.9°	109.5°
CAE	CAH	H2	106.9°	109.4°
OAA	CAE	CAD	109.2°	109.4°
OAA	CAE	H1	107.2°	109.5°
CAE	CAD	NAD	108.6°	109.5°
CAE	CAD	CAC	107.9°	109.2°
CAD	CAE	H1	106.3°	109.5°
CAE	CAD	H11	111.1°	109.5°
OAH	CAH	H2	109.0°	109.4°
CAH	OAH	H18	109.5°	114.0°
C23	N24	N25	109.5°	108.9°
N24	C23	C27	105.5°	106.5°
N24	N25	N26	111.4°	110.2°
C23	C27	N26	104.5°	106.2°
C23	C27	H6	127.8°	126.9°
CAD	NAD	CAF	122.1°	120.0°
NAD	CAD	CAC	106.5°	109.5°
NAD	CAD	H11	111.4°	109.5°
CAD	NAD	H140	119.0°	120.0°
NAD	CAF	CAG	112.9°	120.0°
NAD	CAF	OAF	123.3°	120.0°
CAF	NAD	H140	118.9°	120.0°
CAB	CAC	CAD	114.1°	109.0°
CAB	CAC	OAC	107.1°	109.5°
CAB	CAC	H12	108.4°	109.5°
CAC	CAB	H13	108.1°	109.5°
CAC	CAB	H14	108.1°	109.5°
CAD	CAC	OAC	109.9°	109.6°
CAC	CAD	H11	111.2°	109.6°
CAD	CAC	H12	108.1°	109.6°
OAC	CAC	H12	109.1°	109.6°
CAC	OAC	H20	109.5°	114.0°
N25	N26	C27	109.2°	108.3°
N25	N26	C1	118.5°	125.8°
CAG	CAF	OAF	123.8°	120.0°
CAF	CAG	H7	109.5°	109.5°
CAF	CAG	H8	109.5°	109.5°
CAF	CAG	H9	109.5°	109.5°
N26	C27	H6	127.7°	126.9°
C27	N26	C1	32.3°	125.9°
H3	CAJ	H4	109.5°	109.4°
H7	CAG	H8	109.4°	109.4°
H7	CAG	H9	109.5°	109.5°
H8	CAG	H9	109.5°	109.5°
H13	CAB	H14	109.5°	109.5°
H21	CAL	H22	109.5°	109.5°
N26	C1	C2	90.0°	109.4°
N26	C1	H5	90.0°	109.5°
N26	C1	H10	90.0°	109.5°
C1	C2	C3	90.0°	119.9°
C1	C2	C4	90.0°	119.8°
C2	C1	H5	90.0°	109.4°
C2	C1	H10	90.0°	109.5°
C3	C2	C4	90.0°	120.3°
C2	C3	C6	90.0°	120.1°
C2	C3	H23	90.0°	119.9°
C2	C4	C5	90.0°	120.1°
C2	C4	H24	90.0°	120.0°
C4	C5	C7	90.0°	119.9°
C5	C4	H24	90.0°	119.9°
C4	C5	H25	90.0°	120.1°
C3	C6	C7	90.0°	119.9°
C6	C3	H23	90.0°	120.0°
C3	C6	H26	90.0°	120.1°
C6	C7	C5	90.0°	119.7°
C6	C7	C8	90.0°	120.1°
C7	C6	H26	90.0°	120.1°
C5	C7	C8	90.0°	120.2°
C7	C5	H25	90.0°	120.0°
C7	C8	N1	90.0°	120.0°
C7	C8	O1	90.0°	120.0°
N1	C8	O1	90.0°	119.9°
C8	N1	C15	90.0°	120.0°
C8	N1	C16	90.0°	120.0°
C15	N1	C16	90.0°	120.0°
N1	C15	C14	90.0°	109.5°
N1	C15	H27	90.0°	109.5°
N1	C15	H28	90.0°	109.5°
N1	C16	C9	90.0°	109.5°
N1	C16	H29	90.0°	109.4°
N1	C16	H30	90.0°	109.5°
C16	C9	N2	90.0°	109.5°
C9	C16	H29	90.0°	109.5°
C9	C16	H30	90.0°	109.5°
C16	C9	H31	90.0°	109.5°
C16	C9	H32	90.0°	109.5°
C9	N2	C18	90.0°	120.0°
N2	C9	H31	90.0°	109.5°
N2	C9	H32	90.0°	109.5°
C9	N2	H33	90.0°	120.0°
N2	C18	C19	90.0°	120.0°
N2	C18	O2	90.0°	120.0°
C18	N2	H33	90.0°	120.0°
C19	C18	O2	90.0°	120.0°
C18	C19	C21	90.0°	109.5°
C18	C19	H34	90.0°	109.5°
C18	C19	H35	90.0°	109.4°
C19	C21	C24	90.0°	109.5°
C21	C19	H34	90.0°	109.5°
C21	C19	H35	90.0°	109.4°
C19	C21	H36	90.0°	109.5°
C19	C21	H37	90.0°	109.4°
C21	C24	O3	90.0°	120.0°
C21	C24	N3	90.0°	120.0°
C24	C21	H36	90.0°	109.5°
C24	C21	H37	90.0°	109.4°
O3	C24	N3	90.0°	120.0°
C24	N3	H38	90.0°	120.0°
C24	N3	H39	90.0°	120.0°
C15	C14	N4	90.0°	109.5°
C14	C15	H27	90.0°	109.4°
C14	C15	H28	90.0°	109.5°
C15	C14	H40	90.0°	109.4°
C15	C14	H41	90.0°	109.5°
C14	N4	C25	90.0°	120.0°
N4	C14	H40	90.0°	109.5°
N4	C14	H41	90.0°	109.5°
C14	N4	H42	90.0°	120.0°
N4	C25	C26	90.0°	120.0°
N4	C25	O4	90.0°	120.0°
C25	N4	H42	90.0°	120.0°
C25	C26	C28	90.0°	109.5°
C26	C25	O4	90.0°	120.0°
C25	C26	H43	90.0°	109.4°
C25	C26	H44	90.0°	109.5°
C26	C28	C29	90.0°	109.4°
C28	C26	H43	90.0°	109.5°
C28	C26	H44	90.0°	109.5°
C26	C28	H45	90.0°	109.5°
C26	C28	H46	90.0°	109.4°
C28	C29	N5	90.0°	120.0°
C28	C29	O5	90.0°	120.0°
C29	C28	H45	90.0°	109.5°
C29	C28	H46	90.0°	109.5°
C29	N5	C31	90.0°	120.0°
N5	C29	O5	90.0°	120.0°
C29	N5	H47	90.0°	120.0°
N5	C31	C32	90.0°	109.4°
C31	N5	H47	90.0°	120.0°
N5	C31	H48	90.0°	109.5°
N5	C31	H49	90.0°	109.5°
C31	C32	O6	90.0°	109.5°
C32	C31	H48	90.0°	109.5°
C32	C31	H49	90.0°	109.4°
C31	C32	H50	90.0°	109.5°
C31	C32	H51	90.0°	109.5°
C32	O6	C34	90.0°	114.0°
O6	C32	H50	90.0°	109.4°
O6	C32	H51	90.0°	109.4°
O6	C34	C35	90.0°	109.5°
O6	C34	H52	90.0°	109.5°
O6	C34	H53	90.0°	109.5°
C34	C35	O15	90.0°	109.5°
C35	C34	H52	90.0°	109.5°
C35	C34	H53	90.0°	109.5°
C34	C35	H54	90.0°	109.5°
C34	C35	H55	90.0°	109.5°
C35	O15	C37	90.0°	114.0°
O15	C35	H54	90.0°	109.4°
O15	C35	H55	90.0°	109.5°
O15	C37	C38	90.0°	109.5°
O15	C37	H58	90.0°	109.4°
O15	C37	H59	90.0°	109.5°
C37	C38	N6	90.0°	109.5°
C38	C37	H58	90.0°	109.5°
C38	C37	H59	90.0°	109.5°
C37	C38	H60	90.0°	109.4°
C37	C38	H61	90.0°	109.5°
C38	N6	C40	90.0°	120.0°
N6	C38	H60	90.0°	109.5°
N6	C38	H61	90.0°	109.5°
C38	N6	H62	90.0°	120.0°
N6	C40	C41	90.0°	120.0°
N6	C40	O7	90.0°	120.0°
C40	N6	H62	90.0°	120.0°
C40	C41	C42	90.0°	109.5°
C41	C40	O7	90.0°	120.0°
C40	C41	H63	90.0°	109.5°
C40	C41	H64	90.0°	109.4°
C41	C42	C43	90.0°	109.5°
C42	C41	H63	90.0°	109.5°
C42	C41	H64	90.0°	109.5°
C41	C42	H65	90.0°	109.5°
C41	C42	H66	90.0°	109.4°
C42	C43	N7	90.0°	120.0°
C42	C43	O8	90.0°	120.0°
C43	C42	H65	90.0°	109.5°
C43	C42	H66	90.0°	109.5°
C43	N7	C45	90.0°	120.0°
N7	C43	O8	90.0°	120.0°
C43	N7	H67	90.0°	120.0°
N7	C45	C20	90.0°	109.5°
C45	N7	H67	90.0°	120.0°
N7	C45	H68	90.0°	109.4°
N7	C45	H69	90.0°	109.5°
C45	C20	O9	90.0°	109.5°
C20	C45	H68	90.0°	109.5°
C20	C45	H69	90.0°	109.5°
C45	C20	H70	90.0°	109.5°
C45	C20	H71	90.0°	109.5°
C20	O9	C39	90.0°	114.0°
O9	C20	H70	90.0°	109.5°
O9	C20	H71	90.0°	109.4°
O9	C39	C44	90.0°	109.4°
O9	C39	H72	90.0°	109.4°
O9	C39	H73	90.0°	109.5°
C39	C44	O10	90.0°	109.5°
C44	C39	H72	90.0°	109.5°
C44	C39	H73	90.0°	109.5°
C39	C44	H74	90.0°	109.5°
C39	C44	H75	90.0°	109.5°
C44	O10	C47	90.0°	114.0°
O10	C44	H74	90.0°	109.4°
O10	C44	H75	90.0°	109.5°
O10	C47	C48	90.0°	109.5°
O10	C47	H76	90.0°	109.5°
O10	C47	H77	90.0°	109.4°
C47	C48	N8	90.0°	109.5°
C48	C47	H76	90.0°	109.5°
C48	C47	H77	90.0°	109.5°
C47	C48	H78	90.0°	109.5°
C47	C48	H79	90.0°	109.5°
C48	N8	C50	90.0°	120.0°
N8	C48	H78	90.0°	109.5°
N8	C48	H79	90.0°	109.5°
C48	N8	H80	90.0°	120.0°
N8	C50	C51	90.0°	120.0°
N8	C50	O11	90.0°	120.0°
C50	N8	H80	90.0°	120.0°
C50	C51	C52	90.0°	109.5°
C51	C50	O11	90.0°	120.0°
C50	C51	H81	90.0°	109.4°
C50	C51	H82	90.0°	109.5°
C51	C52	C53	90.0°	109.5°
C52	C51	H81	90.0°	109.5°
C52	C51	H82	90.0°	109.5°
C51	C52	H83	90.0°	109.5°
C51	C52	H84	90.0°	109.5°
C52	C53	N9	90.0°	120.0°
C52	C53	O12	90.0°	120.0°
C53	C52	H83	90.0°	109.4°
C53	C52	H84	90.0°	109.5°
C53	N9	C55	90.0°	120.0°
N9	C53	O12	90.0°	120.1°
C53	N9	H85	90.0°	120.0°
N9	C55	C56	90.0°	109.5°
C55	N9	H85	90.0°	120.0°
N9	C55	H86	90.0°	109.4°
N9	C55	H87	90.0°	109.5°
C55	C56	O13	90.0°	109.5°
C56	C55	H86	90.0°	109.5°
C56	C55	H87	90.0°	109.5°
C55	C56	H88	90.0°	109.5°
C55	C56	H89	90.0°	109.5°
C56	O13	C58	90.0°	114.0°
O13	C56	H88	90.0°	109.5°
O13	C56	H89	90.0°	109.4°
O13	C58	C59	90.0°	109.5°
O13	C58	H90	90.0°	109.5°
O13	C58	H91	90.0°	109.5°
C58	C59	O17	90.0°	109.4°
C59	C58	H90	90.0°	109.5°
C59	C58	H91	90.0°	109.4°
C58	C59	H92	90.0°	109.5°
C58	C59	H93	90.0°	109.5°
C59	O17	C61	90.0°	114.0°
O17	C59	H92	90.0°	109.5°
O17	C59	H93	90.0°	109.5°
O17	C61	C62	90.0°	109.5°
O17	C61	H94	90.0°	109.5°
O17	C61	H95	90.0°	109.5°
C61	C62	N10	90.0°	109.5°
C62	C61	H94	90.0°	109.5°
C62	C61	H95	90.0°	109.4°
C61	C62	H96	90.0°	109.5°
C61	C62	H97	90.0°	109.5°
C62	N10	C49	90.0°	120.0°
N10	C62	H96	90.0°	109.5°
N10	C62	H97	90.0°	109.5°
C62	N10	H98	90.0°	120.0°
N10	C49	C54	90.0°	120.0°
N10	C49	O22	90.0°	120.0°
C49	N10	H98	90.0°	120.0°
C49	C54	C63	90.0°	109.5°
C54	C49	O22	90.0°	120.0°
C49	C54	H99	90.0°	109.4°
C49	C54	H100	90.0°	109.5°
C54	C63	C64	90.0°	109.5°
C63	C54	H99	90.0°	109.4°
C63	C54	H100	90.0°	109.5°
C54	C63	H101	90.0°	109.4°
C54	C63	H102	90.0°	109.5°
C63	C64	N11	90.0°	120.0°
C63	C64	O23	90.0°	120.0°
C64	C63	H101	90.0°	109.4°
C64	C63	H102	90.0°	109.5°
C64	N11	C66	90.0°	120.0°
N11	C64	O23	90.0°	120.0°
C64	N11	H103	90.0°	120.0°
N11	C66	C67	90.0°	109.5°
C66	N11	H103	90.0°	120.0°
N11	C66	H104	90.0°	109.5°
N11	C66	H105	90.0°	109.4°
C66	C67	N12	90.0°	109.5°
C67	C66	H104	90.0°	109.5°
C67	C66	H105	90.0°	109.5°
C66	C67	H106	90.0°	109.5°
C66	C67	H107	90.0°	109.5°
C67	N12	C69	90.0°	120.0°
C67	N12	C70	90.0°	120.0°
N12	C67	H106	90.0°	109.5°
N12	C67	H107	90.0°	109.5°
C69	N12	C70	90.0°	120.0°
N12	C69	C30	90.0°	120.1°
N12	C69	O14	90.0°	120.0°
N12	C70	C71	90.0°	109.4°
N12	C70	H132	90.0°	109.5°
N12	C70	H133	90.0°	109.5°
C70	C71	N13	90.0°	109.4°
C71	C70	H132	90.0°	109.5°
C71	C70	H133	90.0°	109.5°
C70	C71	H134	90.0°	109.5°
C70	C71	H135	90.0°	109.5°
C71	N13	C74	90.0°	120.0°
N13	C71	H134	90.0°	109.4°
N13	C71	H135	90.0°	109.5°
C71	N13	H136	90.0°	120.0°
N13	C74	O24	90.0°	120.0°
N13	C74	C33	90.0°	120.0°
C74	N13	H136	90.0°	120.0°
O24	C74	C33	90.0°	120.0°
C74	C33	H139	90.0°	109.4°
C74	C33	H137	90.0°	109.5°
C74	C33	H138	90.0°	109.5°
C30	C69	O14	90.0°	120.0°
C69	C30	C57	90.0°	120.2°
C69	C30	C60	90.0°	120.1°
C57	C30	C60	90.0°	119.7°
C30	C57	C68	90.0°	119.9°
C30	C57	H108	90.0°	120.0°
C30	C60	C65	90.0°	119.9°
C30	C60	H110	90.0°	120.1°
C60	C65	C72	90.0°	120.1°
C65	C60	H110	90.0°	120.0°
C60	C65	H109	90.0°	120.0°
C57	C68	C72	90.0°	120.2°
C57	C68	H57	90.0°	119.9°
C68	C57	H108	90.0°	120.1°
C68	C72	C65	90.0°	120.3°
C68	C72	C10	90.0°	119.9°
C72	C68	H57	90.0°	119.9°
C65	C72	C10	90.0°	119.9°
C72	C65	H109	90.0°	119.9°
N15	N14	C76	90.0°	108.3°
N14	N15	N16	90.0°	110.2°
N15	N14	C10	90.0°	125.8°
N14	C76	C78	90.0°	106.2°
C76	N14	C10	90.0°	125.9°
N14	C76	H56	90.0°	126.9°
N15	N16	C78	90.0°	108.9°
C76	C78	N16	90.0°	106.5°
C76	C78	CBL	90.0°	126.8°
C78	C76	H56	90.0°	126.9°
N16	C78	CBL	90.0°	126.7°
C78	CBL	OBL	90.0°	109.4°
C78	CBL	H128	90.0°	109.5°
C78	CBL	H129	90.0°	109.5°
CBL	OBL	CBA	90.0°	114.0°
OBL	CBL	H128	90.0°	109.5°
OBL	CBL	H129	90.0°	109.5°
OBL	CBA	OBA	90.0°	109.5°
OBL	CBA	CBB	90.0°	109.5°
OBL	CBA	CBK	90.0°	109.5°
OBA	CBA	CBB	90.0°	109.4°
OBA	CBA	CBK	90.0°	109.5°
CBA	OBA	CBE	90.0°	114.1°
CBB	CBA	CBK	90.0°	109.5°
CBA	CBB	CBC	90.0°	109.1°
CBA	CBB	H121	90.0°	109.5°
CBA	CBB	H123	90.0°	109.5°
CBA	CBK	OBK	90.0°	120.0°
CBA	CBK	OBM	90.0°	120.0°
OBK	CBK	OBM	90.0°	120.0°
CBK	OBK	H127	90.0°	117.0°
OBA	CBE	CBD	90.0°	109.4°
OBA	CBE	CBH	90.0°	109.4°
OBA	CBE	H119	90.0°	109.5°
CBB	CBC	CBD	90.0°	109.0°
CBB	CBC	OBC	90.0°	109.6°
CBB	CBC	H120	90.0°	109.5°
CBC	CBB	H121	90.0°	109.5°
CBC	CBB	H123	90.0°	109.5°
CBC	CBD	CBE	90.0°	109.2°
CBD	CBC	OBC	90.0°	109.5°
CBC	CBD	NBD	90.0°	109.5°
CBC	CBD	H118	90.0°	109.6°
CBD	CBC	H120	90.0°	109.5°
CBE	CBD	NBD	90.0°	109.5°
CBD	CBE	CBH	90.0°	109.5°
CBD	CBE	H119	90.0°	109.5°
CBE	CBD	H118	90.0°	109.5°
OBC	CBC	H120	90.0°	109.6°
CBC	OBC	H122	90.0°	114.0°
CBD	NBD	CBF	90.0°	120.0°
NBD	CBD	H118	90.0°	109.5°
CBD	NBD	H141	90.0°	120.0°
NBD	CBF	CBG	90.0°	120.0°
NBD	CBF	OBF	90.0°	120.0°
CBF	NBD	H141	90.0°	120.0°
CBG	CBF	OBF	90.0°	120.0°
CBF	CBG	H124	90.0°	109.4°
CBF	CBG	H125	90.0°	109.5°
CBF	CBG	H126	90.0°	109.5°
CBE	CBH	CBI	90.0°	109.5°
CBE	CBH	OBH	90.0°	109.4°
CBE	CBH	H114	90.0°	109.5°
CBH	CBE	H119	90.0°	109.5°
CBI	CBH	OBH	90.0°	109.5°
CBH	CBI	CBJ	90.0°	109.4°
CBH	CBI	OBI	90.0°	109.5°
CBH	CBI	H115	90.0°	109.4°
CBI	CBH	H114	90.0°	109.5°
CBH	OBH	H113	90.0°	114.0°
OBH	CBH	H114	90.0°	109.4°
CBJ	CBI	OBI	90.0°	109.5°
CBI	CBJ	OBJ	90.0°	109.4°
CBI	CBJ	H116	90.0°	109.5°
CBI	CBJ	H117	90.0°	109.5°
CBJ	CBI	H115	90.0°	109.5°
CBI	OBI	H112	90.0°	114.0°
OBI	CBI	H115	90.0°	109.5°
CBJ	OBJ	H111	90.0°	114.0°
OBJ	CBJ	H116	90.0°	109.5°
OBJ	CBJ	H117	90.0°	109.4°
H5	C1	H10	90.0°	109.5°
H27	C15	H28	90.0°	109.4°
H29	C16	H30	90.0°	109.4°
H31	C9	H32	90.0°	109.5°
H34	C19	H35	90.0°	109.5°
H36	C21	H37	90.0°	109.5°
H38	N3	H39	90.0°	120.0°
H40	C14	H41	90.0°	109.4°
H43	C26	H44	90.0°	109.4°
H45	C28	H46	90.0°	109.5°
H48	C31	H49	90.0°	109.5°
H50	C32	H51	90.0°	109.4°
H52	C34	H53	90.0°	109.5°
H54	C35	H55	90.0°	109.5°
H58	C37	H59	90.0°	109.4°
H60	C38	H61	90.0°	109.5°
H63	C41	H64	90.0°	109.4°
H65	C42	H66	90.0°	109.5°
H68	C45	H69	90.0°	109.5°
H70	C20	H71	90.0°	109.5°
H72	C39	H73	90.0°	109.5°
H74	C44	H75	90.0°	109.4°
H76	C47	H77	90.0°	109.4°
H78	C48	H79	90.0°	109.5°
H81	C51	H82	90.0°	109.5°
H83	C52	H84	90.0°	109.5°
H86	C55	H87	90.0°	109.5°
H88	C56	H89	90.0°	109.5°
H90	C58	H91	90.0°	109.4°
H92	C59	H93	90.0°	109.5°
H94	C61	H95	90.0°	109.4°
H96	C62	H97	90.0°	109.5°
H99	C54	H100	90.0°	109.4°
H101	C63	H102	90.0°	109.5°
H104	C66	H105	90.0°	109.5°
H106	C67	H107	90.0°	109.4°
C72	C10	N14	90.0°	109.5°
C72	C10	H131	90.0°	109.4°
C72	C10	H130	90.0°	109.5°
N14	C10	H131	90.0°	109.4°
N14	C10	H130	90.0°	109.5°
H116	CBJ	H117	90.0°	109.5°
H121	CBB	H123	90.0°	109.6°
H124	CBG	H125	90.0°	109.5°
H124	CBG	H126	90.0°	109.4°
H125	CBG	H126	90.0°	109.5°
H128	CBL	H129	90.0°	109.5°
H131	C10	H130	90.0°	109.5°
H132	C70	H133	90.0°	109.5°
H134	C71	H135	90.0°	109.5°
H139	C33	H137	90.0°	109.5°
H139	C33	H138	90.0°	109.4°
H137	C33	H138	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OAM	CAK	OAK	CAA	179.5°	179.9°
OAM	CAK	CAA	OAA	21.0°	116.3°
OAM	CAK	CAA	OAL	93.7°	3.8°
OAM	CAK	CAA	CAB	137.6°	123.9°
OAM	CAK	OAK	H19	0.0°	0.1°
OAJ	CAJ	CAI	OAI	32.9°	65.0°
OAJ	CAJ	CAI	H3	119.4°	120.1°
OAJ	CAJ	CAI	H4	119.4°	120.0°
OAJ	CAJ	CAI	CAH	87.4°	175.0°
OAJ	CAJ	H3	H4	121.7°	120.0°
OAJ	CAJ	CAI	H15	151.9°	55.0°
OAK	CAK	CAA	OAA	159.6°	63.7°
OAK	CAK	CAA	OAL	85.8°	176.2°
OAK	CAK	CAA	CAB	43.0°	56.2°
OAI	CAI	CAJ	CAH	120.4°	120.1°
OAI	CAI	CAJ	H15	119.0°	120.0°
OAI	CAI	CAH	H15	121.9°	120.0°
OAI	CAI	CAH	CAE	37.9°	59.9°
OAI	CAI	CAH	OAH	161.2°	180.0°
OAI	CAI	CAH	H2	81.2°	60.0°
OAI	CAI	CAJ	H3	152.4°	175.0°
OAI	CAI	CAJ	H4	86.5°	55.0°
CAK	CAA	OAL	CAL	39.0°	178.0°
CAK	CAA	OAA	OAL	119.8°	120.1°
CAK	CAA	OAA	CAB	120.5°	119.9°
CAK	CAA	OAL	CAB	128.4°	120.0°
CAK	CAA	OAA	CAE	65.5°	58.8°
CAK	CAA	CAB	CAC	71.3°	62.4°
CAK	CAA	CAB	H13	167.9°	57.6°
CAK	CAA	CAB	H14	49.5°	177.7°
CAA	CAK	OAK	H19	179.5°	180.0°
CAJ	CAI	CAH	H15	120.7°	119.9°
CAJ	CAI	CAH	CAE	155.4°	NaN°
CAJ	CAI	CAH	OAH	81.3°	59.9°
CAJ	CAI	CAH	H2	36.3°	60.1°
CAI	CAJ	H3	H4	121.6°	119.9°
CAI	CAJ	OAJ	H16	180.0°	180.0°
CAJ	CAI	OAI	H17	169.2°	60.0°
CAI	CAH	CAE	OAH	123.0°	120.1°
CAI	CAH	CAE	H2	119.2°	120.0°
CAI	CAH	CAE	OAA	51.1°	55.1°
CAI	CAH	CAE	CAD	176.8°	175.0°
CAI	CAH	OAH	H2	116.4°	120.0°
CAI	CAH	CAE	H1	63.7°	65.0°
CAH	CAI	CAJ	H3	32.0°	54.9°
CAH	CAI	CAJ	H4	153.1°	65.0°
CAH	CAI	OAI	H17	48.5°	60.1°
CAI	CAH	OAH	H18	180.0°	179.9°
OAL	CAL	C23	H21	119.4°	120.1°
OAL	CAL	C23	H22	119.5°	120.0°
CAL	OAL	CAA	OAA	77.3°	58.0°
CAL	OAL	CAA	CAB	167.4°	61.9°
OAL	CAL	C23	N24	101.6°	180.0°
OAL	CAL	C23	C27	79.7°	0.1°
OAL	CAL	H21	H22	121.7°	120.0°
C23	CAL	OAL	CAA	159.1°	175.8°
CAL	C23	N24	C27	179.0°	179.9°
CAL	C23	N24	N25	179.2°	179.8°
CAL	C23	C27	N26	179.1°	180.0°
CAL	C23	C27	H6	0.9°	0.0°
C23	CAL	H21	H22	121.7°	120.0°
OAA	CAA	OAL	CAB	115.2°	119.9°
CAA	OAA	CAE	CAH	165.4°	178.8°
CAA	OAA	CAE	CAD	63.3°	61.2°
OAA	CAA	CAB	CAC	45.9°	57.6°
CAA	OAA	CAE	H1	51.5°	58.8°
OAA	CAA	CAB	H13	74.8°	177.5°
OAA	CAA	CAB	H14	166.7°	62.4°
OAL	CAA	OAA	CAE	174.7°	178.9°
OAL	CAA	CAB	CAC	160.1°	177.6°
OAL	CAA	CAB	H13	39.4°	62.5°
OAL	CAA	CAB	H14	79.1°	57.6°
CAA	OAL	CAL	H21	39.6°	55.8°
CAA	OAL	CAL	H22	81.5°	64.2°
CAB	CAA	OAA	CAE	55.0°	61.1°
CAA	CAB	CAC	H13	120.8°	119.9°
CAA	CAB	CAC	H14	120.8°	120.0°
CAA	CAB	CAC	CAD	49.3°	57.0°
CAA	CAB	CAC	OAC	171.1°	176.9°
CAA	CAB	CAC	H12	71.2°	62.9°
CAA	CAB	H13	H14	117.6°	120.2°
CAH	CAE	OAA	CAD	131.3°	120.0°
CAH	CAE	OAA	H1	113.9°	120.0°
CAH	CAE	CAD	H1	119.3°	120.1°
CAE	CAH	OAH	H2	116.5°	119.9°
CAH	CAE	CAD	NAD	63.0°	62.5°
CAH	CAE	CAD	CAC	178.1°	177.6°
CAH	CAE	CAD	H11	59.9°	57.6°
CAE	CAH	CAI	H15	84.0°	60.1°
CAE	CAH	OAH	H18	52.9°	60.0°
OAA	CAE	CAD	H1	115.4°	120.0°
OAA	CAE	CAH	OAH	71.9°	65.0°
OAA	CAE	CAD	NAD	171.8°	177.5°
OAA	CAE	CAD	CAC	56.7°	57.6°
OAA	CAE	CAH	H2	170.3°	175.0°
OAA	CAE	CAD	H11	65.4°	62.4°
CAD	CAE	CAH	OAH	53.7°	54.9°
CAE	CAD	NAD	CAC	116.0°	119.7°
CAE	CAD	NAD	H11	122.6°	120.1°
CAE	CAD	NAD	CAF	137.9°	155.0°
CAE	CAD	CAC	CAB	52.7°	57.0°
CAE	CAD	CAC	H11	122.0°	119.9°
CAE	CAD	CAC	OAC	173.0°	176.9°
CAD	CAE	CAH	H2	64.1°	65.1°
CAE	CAD	CAC	H12	68.0°	62.9°
CAE	CAD	NAD	H140	42.1°	25.0°
OAH	CAH	CAE	H1	173.3°	174.9°
OAH	CAH	CAI	H15	39.4°	60.0°
C23	N24	N25	N26	0.2°	0.5°
N24	C23	C27	N26	0.2°	0.0°
N24	C23	C27	H6	179.8°	180.0°
N24	C23	CAL	H21	138.9°	60.0°
N24	C23	CAL	H22	17.8°	60.0°
N25	N24	C23	C27	0.3°	0.3°
N24	N25	N26	C27	0.1°	0.4°
N24	N25	N26	C1	34.1°	179.8°
C23	C27	N26	N25	0.1°	0.2°
C23	C27	N26	H6	180.0°	180.0°
C27	C23	CAL	H21	39.8°	120.0°
C27	C23	CAL	H22	160.9°	120.0°
C23	C27	N26	C1	113.2°	180.0°
CAD	NAD	CAF	H140	180.0°	180.0°
NAD	CAD	CAC	CAB	169.2°	176.9°
NAD	CAD	CAC	H11	121.6°	120.2°
NAD	CAD	CAC	OAC	70.6°	63.2°
CAD	NAD	CAF	CAG	179.9°	180.0°
CAD	NAD	CAF	OAF	0.5°	0.0°
NAD	CAD	CAE	H1	56.4°	57.5°
NAD	CAD	CAC	H12	48.5°	57.0°
CAF	NAD	CAD	CAC	106.2°	85.3°
NAD	CAF	CAG	OAF	179.7°	180.0°
NAD	CAF	CAG	H7	179.7°	90.0°
NAD	CAF	CAG	H8	59.7°	30.0°
NAD	CAF	CAG	H9	60.3°	150.0°
CAF	NAD	CAD	H11	15.2°	34.9°
CAB	CAC	CAD	OAC	120.3°	119.9°
CAB	CAC	CAD	H12	120.7°	119.8°
CAB	CAC	OAC	H12	117.1°	120.2°
CAB	CAC	CAD	H11	69.3°	63.0°
CAC	CAB	H13	H14	117.6°	120.1°
CAB	CAC	OAC	H20	180.0°	60.0°
CAD	CAC	OAC	H12	118.4°	120.2°
CAC	CAD	CAE	H1	58.7°	62.4°
CAD	CAC	CAB	H13	71.4°	176.9°
CAD	CAC	CAB	H14	170.1°	63.0°
CAD	CAC	OAC	H20	55.5°	179.5°
CAC	CAD	NAD	H140	73.8°	94.7°
OAC	CAC	CAD	H11	51.0°	56.9°
OAC	CAC	CAB	H13	50.4°	63.2°
OAC	CAC	CAB	H14	68.1°	56.9°
N25	N26	C27	C1	113.3°	179.7°
N25	N26	C27	H6	179.9°	179.7°
N25	N26	C1	C2	90.0°	55.3°
N25	N26	C1	H5	90.0°	64.7°
N25	N26	C1	H10	90.0°	175.3°
CAF	CAG	H7	H8	120.0°	120.0°
CAF	CAG	H7	H9	120.0°	120.0°
CAF	CAG	H8	H9	120.0°	120.0°
CAG	CAF	NAD	H140	0.1°	0.0°
C27	N26	C1	C2	90.0°	125.0°
C27	N26	C1	H5	90.0°	115.0°
C27	N26	C1	H10	90.0°	5.0°
OAF	CAF	CAG	H7	0.0°	90.0°
OAF	CAF	CAG	H8	120.0°	150.0°
OAF	CAF	CAG	H9	120.0°	30.0°
OAF	CAF	NAD	H140	179.5°	180.0°
H1	CAE	CAH	H2	55.5°	55.0°
H1	CAE	CAD	H11	179.2°	177.6°
H2	CAH	CAI	H15	156.9°	180.0°
H2	CAH	OAH	H18	63.6°	59.9°
H3	CAJ	CAI	H15	88.6°	65.0°
H3	CAJ	OAJ	H16	60.5°	60.0°
H4	CAJ	CAI	H15	32.5°	175.0°
H4	CAJ	OAJ	H16	60.6°	60.0°
H6	C27	N26	C1	66.8°	0.0°
H7	CAG	H8	H9	120.0°	120.0°
H11	CAD	CAC	H12	170.0°	177.2°
H11	CAD	NAD	H140	164.8°	145.1°
H12	CAC	CAB	H13	168.0°	57.0°
H12	CAC	CAB	H14	49.5°	177.1°
H12	CAC	OAC	H20	62.9°	60.2°
H15	CAI	OAI	H17	72.7°	179.9°
N26	C1	C2	H5	90.0°	120.0°
N26	C1	C2	H10	90.0°	120.0°
N26	C1	C2	C3	90.0°	90.0°
N26	C1	C2	C4	90.0°	90.3°
N26	C1	H5	H10	90.0°	120.0°
C1	C2	C3	C4	90.0°	179.7°
C1	C2	C4	C5	90.0°	180.0°
C1	C2	C3	C6	90.0°	180.0°
C2	C1	H5	H10	90.0°	120.1°
C1	C2	C3	H23	90.0°	0.0°
C1	C2	C4	H24	90.0°	0.0°
C3	C2	C4	C5	90.0°	0.3°
C2	C3	C6	H23	90.0°	180.0°
C2	C3	C6	C7	90.0°	0.1°
C3	C2	C1	H5	90.0°	29.9°
C3	C2	C1	H10	90.0°	150.0°
C3	C2	C4	H24	90.0°	179.7°
C2	C3	C6	H26	90.0°	180.0°
C2	C4	C5	H24	90.0°	180.0°
C4	C2	C3	C6	90.0°	0.3°
C2	C4	C5	C7	90.0°	0.0°
C4	C2	C1	H5	90.0°	149.7°
C4	C2	C1	H10	90.0°	29.7°
C4	C2	C3	H23	90.0°	179.7°
C2	C4	C5	H25	90.0°	180.0°
C4	C5	C7	C6	90.0°	0.3°
C4	C5	C7	H25	90.0°	180.0°
C4	C5	C7	C8	90.0°	180.0°
C3	C6	C7	H26	90.0°	179.9°
C3	C6	C7	C5	90.0°	0.2°
C3	C6	C7	C8	90.0°	180.0°
C6	C7	C5	C8	90.0°	179.7°
C6	C7	C8	N1	90.0°	47.5°
C6	C7	C8	O1	90.0°	132.6°
C7	C6	C3	H23	90.0°	180.0°
C6	C7	C5	H25	90.0°	179.7°
C5	C7	C8	N1	90.0°	132.7°
C5	C7	C8	O1	90.0°	47.2°
C7	C5	C4	H24	90.0°	180.0°
C5	C7	C6	H26	90.0°	179.7°
C7	C8	N1	O1	90.0°	179.9°
C7	C8	N1	C15	90.0°	173.5°
C7	C8	N1	C16	90.0°	6.5°
C8	C7	C5	H25	90.0°	0.0°
C8	C7	C6	H26	90.0°	0.0°
C8	N1	C15	C16	90.0°	179.9°
C8	N1	C16	C9	90.0°	96.4°
C8	N1	C15	C14	90.0°	90.0°
C8	N1	C15	H27	90.0°	150.0°
C8	N1	C15	H28	90.0°	30.0°
C8	N1	C16	H29	90.0°	143.6°
C8	N1	C16	H30	90.0°	23.7°
O1	C8	N1	C15	90.0°	6.4°
O1	C8	N1	C16	90.0°	173.5°
C15	N1	C16	C9	90.0°	83.6°
N1	C15	C14	H27	90.0°	120.0°
N1	C15	C14	H28	90.0°	120.1°
N1	C15	C14	N4	90.0°	180.0°
N1	C15	H27	H28	90.0°	120.0°
C15	N1	C16	H29	90.0°	36.5°
C15	N1	C16	H30	90.0°	156.4°
N1	C15	C14	H40	90.0°	60.0°
N1	C15	C14	H41	90.0°	59.9°
N1	C16	C9	H29	90.0°	120.0°
N1	C16	C9	H30	90.0°	120.0°
N1	C16	C9	N2	90.0°	174.8°
C16	N1	C15	C14	90.0°	90.0°
C16	N1	C15	H27	90.0°	30.0°
C16	N1	C15	H28	90.0°	149.9°
N1	C16	H29	H30	90.0°	120.0°
N1	C16	C9	H31	90.0°	54.8°
N1	C16	C9	H32	90.0°	65.1°
C16	C9	N2	H31	90.0°	120.0°
C16	C9	N2	H32	90.0°	120.0°
C16	C9	N2	C18	90.0°	180.0°
C9	C16	H29	H30	90.0°	120.0°
C16	C9	H31	H32	90.0°	120.0°
C16	C9	N2	H33	90.0°	0.0°
C9	N2	C18	H33	90.0°	180.0°
C9	N2	C18	C19	90.0°	180.0°
C9	N2	C18	O2	90.0°	0.0°
N2	C9	C16	H29	90.0°	65.2°
N2	C9	C16	H30	90.0°	54.8°
N2	C9	H31	H32	90.0°	120.0°
N2	C18	C19	O2	90.0°	179.9°
N2	C18	C19	C21	90.0°	180.0°
C18	N2	C9	H31	90.0°	60.0°
C18	N2	C9	H32	90.0°	60.0°
N2	C18	C19	H34	90.0°	60.0°
N2	C18	C19	H35	90.0°	60.0°
C18	C19	C21	H34	90.0°	120.0°
C18	C19	C21	H35	90.0°	119.9°
C18	C19	C21	C24	90.0°	NaN°
C19	C18	N2	H33	90.0°	0.0°
C18	C19	H34	H35	90.0°	120.0°
C18	C19	C21	H36	90.0°	60.0°
C18	C19	C21	H37	90.0°	60.1°
O2	C18	C19	C21	90.0°	0.1°
O2	C18	N2	H33	90.0°	180.0°
O2	C18	C19	H34	90.0°	119.9°
O2	C18	C19	H35	90.0°	120.0°
C19	C21	C24	H36	90.0°	120.1°
C19	C21	C24	H37	90.0°	119.9°
C19	C21	C24	O3	90.0°	0.1°
C19	C21	C24	N3	90.0°	180.0°
C21	C19	H34	H35	90.0°	120.0°
C19	C21	H36	H37	90.0°	120.0°
C21	C24	O3	N3	90.0°	179.9°
C24	C21	C19	H34	90.0°	60.0°
C24	C21	C19	H35	90.0°	60.1°
C24	C21	H36	H37	90.0°	120.0°
C21	C24	N3	H38	90.0°	0.0°
C21	C24	N3	H39	90.0°	180.0°
O3	C24	C21	H36	90.0°	120.0°
O3	C24	C21	H37	90.0°	120.0°
O3	C24	N3	H38	90.0°	179.9°
O3	C24	N3	H39	90.0°	0.0°
N3	C24	C21	H36	90.0°	59.9°
N3	C24	C21	H37	90.0°	60.0°
C24	N3	H38	H39	90.0°	180.0°
C15	C14	N4	H40	90.0°	120.0°
C15	C14	N4	H41	90.0°	120.1°
C15	C14	N4	C25	90.0°	179.9°
C14	C15	H27	H28	90.0°	120.0°
C15	C14	H40	H41	90.0°	120.0°
C15	C14	N4	H42	90.0°	0.0°
C14	N4	C25	H42	90.0°	179.9°
C14	N4	C25	C26	90.0°	180.0°
C14	N4	C25	O4	90.0°	0.1°
N4	C14	C15	H27	90.0°	59.9°
N4	C14	C15	H28	90.0°	60.0°
N4	C14	H40	H41	90.0°	120.0°
N4	C25	C26	O4	90.0°	180.0°
N4	C25	C26	C28	90.0°	179.9°
C25	N4	C14	H40	90.0°	59.9°
C25	N4	C14	H41	90.0°	60.0°
N4	C25	C26	H43	90.0°	59.9°
N4	C25	C26	H44	90.0°	60.0°
C25	C26	C28	H43	90.0°	120.0°
C25	C26	C28	H44	90.0°	120.0°
C25	C26	C28	C29	90.0°	180.0°
C26	C25	N4	H42	90.0°	0.1°
C25	C26	H43	H44	90.0°	120.0°
C25	C26	C28	H45	90.0°	60.0°
C25	C26	C28	H46	90.0°	60.0°
C26	C28	C29	H45	90.0°	120.0°
C26	C28	C29	H46	90.0°	119.9°
C26	C28	C29	N5	90.0°	179.9°
C28	C26	C25	O4	90.0°	0.0°
C26	C28	C29	O5	90.0°	0.0°
C28	C26	H43	H44	90.0°	120.1°
C26	C28	H45	H46	90.0°	120.0°
C28	C29	N5	O5	90.0°	179.9°
C28	C29	N5	C31	90.0°	180.0°
C29	C28	C26	H43	90.0°	60.0°
C29	C28	C26	H44	90.0°	60.0°
C29	C28	H45	H46	90.0°	120.1°
C28	C29	N5	H47	90.0°	0.1°
C29	N5	C31	H47	90.0°	179.9°
C29	N5	C31	C32	90.0°	179.9°
N5	C29	C28	H45	90.0°	60.0°
N5	C29	C28	H46	90.0°	60.1°
C29	N5	C31	H48	90.0°	60.0°
C29	N5	C31	H49	90.0°	60.1°
N5	C31	C32	H48	90.0°	120.0°
N5	C31	C32	H49	90.0°	120.0°
N5	C31	C32	O6	90.0°	65.0°
C31	N5	C29	O5	90.0°	0.1°
N5	C31	H48	H49	90.0°	120.1°
N5	C31	C32	H50	90.0°	175.0°
N5	C31	C32	H51	90.0°	55.0°
C31	C32	O6	H50	90.0°	120.1°
C31	C32	O6	H51	90.0°	120.1°
C31	C32	O6	C34	90.0°	180.0°
C32	C31	N5	H47	90.0°	0.0°
C32	C31	H48	H49	90.0°	120.0°
C31	C32	H50	H51	90.0°	120.0°
C32	O6	C34	C35	90.0°	180.0°
O6	C32	C31	H48	90.0°	55.0°
O6	C32	C31	H49	90.0°	175.0°
O6	C32	H50	H51	90.0°	119.9°
C32	O6	C34	H52	90.0°	60.0°
C32	O6	C34	H53	90.0°	60.0°
O6	C34	C35	H52	90.0°	120.0°
O6	C34	C35	H53	90.0°	120.0°
O6	C34	C35	O15	90.0°	65.0°
C34	O6	C32	H50	90.0°	59.9°
C34	O6	C32	H51	90.0°	60.0°
O6	C34	H52	H53	90.0°	120.0°
O6	C34	C35	H54	90.0°	175.0°
O6	C34	C35	H55	90.0°	55.0°
C34	C35	O15	H54	90.0°	120.0°
C34	C35	O15	H55	90.0°	120.0°
C34	C35	O15	C37	90.0°	180.0°
C35	C34	H52	H53	90.0°	120.0°
C34	C35	H54	H55	90.0°	120.0°
C35	O15	C37	C38	90.0°	180.0°
O15	C35	C34	H52	90.0°	55.0°
O15	C35	C34	H53	90.0°	175.0°
O15	C35	H54	H55	90.0°	120.0°
C35	O15	C37	H58	90.0°	60.0°
C35	O15	C37	H59	90.0°	60.0°
O15	C37	C38	H58	90.0°	120.0°
O15	C37	C38	H59	90.0°	120.0°
O15	C37	C38	N6	90.0°	65.0°
C37	O15	C35	H54	90.0°	60.0°
C37	O15	C35	H55	90.0°	60.0°
O15	C37	H58	H59	90.0°	120.0°
O15	C37	C38	H60	90.0°	175.0°
O15	C37	C38	H61	90.0°	55.0°
C37	C38	N6	H60	90.0°	120.0°
C37	C38	N6	H61	90.0°	120.0°
C37	C38	N6	C40	90.0°	180.0°
C38	C37	H58	H59	90.0°	120.0°
C37	C38	H60	H61	90.0°	120.0°
C37	C38	N6	H62	90.0°	0.0°
C38	N6	C40	H62	90.0°	180.0°
C38	N6	C40	C41	90.0°	180.0°
C38	N6	C40	O7	90.0°	0.0°
N6	C38	C37	H58	90.0°	55.0°
N6	C38	C37	H59	90.0°	175.0°
N6	C38	H60	H61	90.0°	120.0°
N6	C40	C41	O7	90.0°	180.0°
N6	C40	C41	C42	90.0°	180.0°
C40	N6	C38	H60	90.0°	60.0°
C40	N6	C38	H61	90.0°	60.0°
N6	C40	C41	H63	90.0°	59.9°
N6	C40	C41	H64	90.0°	60.0°
C40	C41	C42	H63	90.0°	120.1°
C40	C41	C42	H64	90.0°	120.0°
C40	C41	C42	C43	90.0°	180.0°
C41	C40	N6	H62	90.0°	0.0°
C40	C41	H63	H64	90.0°	119.9°
C40	C41	C42	H65	90.0°	60.0°
C40	C41	C42	H66	90.0°	60.0°
C41	C42	C43	H65	90.0°	120.0°
C41	C42	C43	H66	90.0°	119.9°
C41	C42	C43	N7	90.0°	180.0°
C42	C41	C40	O7	90.0°	0.1°
C41	C42	C43	O8	90.0°	0.1°
C42	C41	H63	H64	90.0°	120.0°
C41	C42	H65	H66	90.0°	120.0°
C42	C43	N7	O8	90.0°	180.0°
C42	C43	N7	C45	90.0°	180.0°
C43	C42	C41	H63	90.0°	59.9°
C43	C42	C41	H64	90.0°	60.0°
C43	C42	H65	H66	90.0°	120.0°
C42	C43	N7	H67	90.0°	0.0°
C43	N7	C45	H67	90.0°	180.0°
C43	N7	C45	C20	90.0°	180.0°
N7	C43	C42	H65	90.0°	60.0°
N7	C43	C42	H66	90.0°	60.0°
C43	N7	C45	H68	90.0°	60.0°
C43	N7	C45	H69	90.0°	60.0°
N7	C45	C20	H68	90.0°	119.9°
N7	C45	C20	H69	90.0°	120.0°
N7	C45	C20	O9	90.0°	65.0°
C45	N7	C43	O8	90.0°	0.0°
N7	C45	H68	H69	90.0°	120.0°
N7	C45	C20	H70	90.0°	175.0°
N7	C45	C20	H71	90.0°	55.0°
C45	C20	O9	H70	90.0°	120.0°
C45	C20	O9	H71	90.0°	120.0°
C45	C20	O9	C39	90.0°	180.0°
C20	C45	N7	H67	90.0°	0.0°
C20	C45	H68	H69	90.0°	120.0°
C45	C20	H70	H71	90.0°	120.0°
C20	O9	C39	C44	90.0°	180.0°
O9	C20	C45	H68	90.0°	55.0°
O9	C20	C45	H69	90.0°	175.0°
O9	C20	H70	H71	90.0°	120.0°
C20	O9	C39	H72	90.0°	60.0°
C20	O9	C39	H73	90.0°	60.0°
O9	C39	C44	H72	90.0°	120.0°
O9	C39	C44	H73	90.0°	120.0°
O9	C39	C44	O10	90.0°	65.0°
C39	O9	C20	H70	90.0°	60.0°
C39	O9	C20	H71	90.0°	60.0°
O9	C39	H72	H73	90.0°	120.0°
O9	C39	C44	H74	90.0°	175.0°
O9	C39	C44	H75	90.0°	55.0°
C39	C44	O10	H74	90.0°	120.0°
C39	C44	O10	H75	90.0°	120.1°
C39	C44	O10	C47	90.0°	179.9°
C44	C39	H72	H73	90.0°	120.0°
C39	C44	H74	H75	90.0°	120.0°
C44	O10	C47	C48	90.0°	180.0°
O10	C44	C39	H72	90.0°	54.9°
O10	C44	C39	H73	90.0°	175.0°
O10	C44	H74	H75	90.0°	120.0°
C44	O10	C47	H76	90.0°	60.0°
C44	O10	C47	H77	90.0°	60.0°
O10	C47	C48	H76	90.0°	120.1°
O10	C47	C48	H77	90.0°	120.0°
O10	C47	C48	N8	90.0°	65.0°
C47	O10	C44	H74	90.0°	60.0°
C47	O10	C44	H75	90.0°	60.0°
O10	C47	H76	H77	90.0°	119.9°
O10	C47	C48	H78	90.0°	175.0°
O10	C47	C48	H79	90.0°	55.0°
C47	C48	N8	H78	90.0°	120.0°
C47	C48	N8	H79	90.0°	120.0°
C47	C48	N8	C50	90.0°	179.9°
C48	C47	H76	H77	90.0°	120.0°
C47	C48	H78	H79	90.0°	120.0°
C47	C48	N8	H80	90.0°	0.1°
C48	N8	C50	H80	90.0°	179.9°
C48	N8	C50	C51	90.0°	180.0°
C48	N8	C50	O11	90.0°	0.1°
N8	C48	C47	H76	90.0°	55.0°
N8	C48	C47	H77	90.0°	175.0°
N8	C48	H78	H79	90.0°	120.0°
N8	C50	C51	O11	90.0°	179.9°
N8	C50	C51	C52	90.0°	179.9°
C50	N8	C48	H78	90.0°	60.1°
C50	N8	C48	H79	90.0°	60.0°
N8	C50	C51	H81	90.0°	60.1°
N8	C50	C51	H82	90.0°	60.0°
C50	C51	C52	H81	90.0°	120.0°
C50	C51	C52	H82	90.0°	120.0°
C50	C51	C52	C53	90.0°	180.0°
C51	C50	N8	H80	90.0°	0.1°
C50	C51	H81	H82	90.0°	120.0°
C50	C51	C52	H83	90.0°	60.0°
C50	C51	C52	H84	90.0°	60.0°
C51	C52	C53	H83	90.0°	120.0°
C51	C52	C53	H84	90.0°	120.0°
C51	C52	C53	N9	90.0°	179.9°
C52	C51	C50	O11	90.0°	0.1°
C51	C52	C53	O12	90.0°	0.0°
C52	C51	H81	H82	90.0°	120.0°
C51	C52	H83	H84	90.0°	120.0°
C52	C53	N9	O12	90.0°	179.9°
C52	C53	N9	C55	90.0°	180.0°
C53	C52	C51	H81	90.0°	60.0°
C53	C52	C51	H82	90.0°	60.0°
C53	C52	H83	H84	90.0°	120.0°
C52	C53	N9	H85	90.0°	0.1°
C53	N9	C55	H85	90.0°	179.9°
C53	N9	C55	C56	90.0°	179.9°
N9	C53	C52	H83	90.0°	60.1°
N9	C53	C52	H84	90.0°	59.9°
C53	N9	C55	H86	90.0°	60.1°
C53	N9	C55	H87	90.0°	59.9°
N9	C55	C56	H86	90.0°	120.0°
N9	C55	C56	H87	90.0°	120.0°
N9	C55	C56	O13	90.0°	65.0°
C55	N9	C53	O12	90.0°	0.1°
N9	C55	H86	H87	90.0°	120.0°
N9	C55	C56	H88	90.0°	175.0°
N9	C55	C56	H89	90.0°	55.0°
C55	C56	O13	H88	90.0°	120.0°
C55	C56	O13	H89	90.0°	120.0°
C55	C56	O13	C58	90.0°	180.0°
C56	C55	N9	H85	90.0°	0.1°
C56	C55	H86	H87	90.0°	120.0°
C55	C56	H88	H89	90.0°	120.0°
C56	O13	C58	C59	90.0°	180.0°
O13	C56	C55	H86	90.0°	55.0°
O13	C56	C55	H87	90.0°	175.0°
O13	C56	H88	H89	90.0°	120.0°
C56	O13	C58	H90	90.0°	60.0°
C56	O13	C58	H91	90.0°	60.0°
O13	C58	C59	H90	90.0°	120.1°
O13	C58	C59	H91	90.0°	120.0°
O13	C58	C59	O17	90.0°	65.0°
C58	O13	C56	H88	90.0°	60.0°
C58	O13	C56	H89	90.0°	60.1°
O13	C58	H90	H91	90.0°	120.0°
O13	C58	C59	H92	90.0°	175.0°
O13	C58	C59	H93	90.0°	55.0°
C58	C59	O17	H92	90.0°	120.0°
C58	C59	O17	H93	90.0°	120.0°
C58	C59	O17	C61	90.0°	180.0°
C59	C58	H90	H91	90.0°	119.9°
C58	C59	H92	H93	90.0°	120.0°
C59	O17	C61	C62	90.0°	180.0°
O17	C59	C58	H90	90.0°	55.0°
O17	C59	C58	H91	90.0°	175.0°
O17	C59	H92	H93	90.0°	120.0°
C59	O17	C61	H94	90.0°	60.0°
C59	O17	C61	H95	90.0°	60.0°
O17	C61	C62	H94	90.0°	120.0°
O17	C61	C62	H95	90.0°	120.0°
O17	C61	C62	N10	90.0°	65.0°
C61	O17	C59	H92	90.0°	60.0°
C61	O17	C59	H93	90.0°	60.0°
O17	C61	H94	H95	90.0°	120.0°
O17	C61	C62	H96	90.0°	175.0°
O17	C61	C62	H97	90.0°	55.0°
C61	C62	N10	H96	90.0°	120.0°
C61	C62	N10	H97	90.0°	120.0°
C61	C62	N10	C49	90.0°	180.0°
C62	C61	H94	H95	90.0°	120.0°
C61	C62	H96	H97	90.0°	120.0°
C61	C62	N10	H98	90.0°	0.0°
C62	N10	C49	H98	90.0°	180.0°
C62	N10	C49	C54	90.0°	180.0°
C62	N10	C49	O22	90.0°	0.0°
N10	C62	C61	H94	90.0°	55.0°
N10	C62	C61	H95	90.0°	175.0°
N10	C62	H96	H97	90.0°	120.0°
N10	C49	C54	O22	90.0°	179.9°
N10	C49	C54	C63	90.0°	180.0°
C49	N10	C62	H96	90.0°	60.0°
C49	N10	C62	H97	90.0°	60.0°
N10	C49	C54	H99	90.0°	60.0°
N10	C49	C54	H100	90.0°	60.0°
C49	C54	C63	H99	90.0°	119.9°
C49	C54	C63	H100	90.0°	120.1°
C49	C54	C63	C64	90.0°	180.0°
C54	C49	N10	H98	90.0°	0.0°
C49	C54	H99	H100	90.0°	120.1°
C49	C54	C63	H101	90.0°	60.1°
C49	C54	C63	H102	90.0°	59.9°
C54	C63	C64	H101	90.0°	119.9°
C54	C63	C64	H102	90.0°	120.1°
C54	C63	C64	N11	90.0°	180.0°
C63	C54	C49	O22	90.0°	0.1°
C54	C63	C64	O23	90.0°	0.1°
C63	C54	H99	H100	90.0°	120.0°
C54	C63	H101	H102	90.0°	120.0°
C63	C64	N11	O23	90.0°	179.9°
C63	C64	N11	C66	90.0°	180.0°
C64	C63	C54	H99	90.0°	60.1°
C64	C63	C54	H100	90.0°	59.9°
C64	C63	H101	H102	90.0°	120.0°
C63	C64	N11	H103	90.0°	0.0°
C64	N11	C66	H103	90.0°	180.0°
C64	N11	C66	C67	90.0°	180.0°
N11	C64	C63	H101	90.0°	60.0°
N11	C64	C63	H102	90.0°	59.9°
C64	N11	C66	H104	90.0°	60.0°
C64	N11	C66	H105	90.0°	60.0°
N11	C66	C67	H104	90.0°	120.0°
N11	C66	C67	H105	90.0°	120.0°
N11	C66	C67	N12	90.0°	180.0°
C66	N11	C64	O23	90.0°	0.0°
N11	C66	H104	H105	90.0°	120.0°
N11	C66	C67	H106	90.0°	60.0°
N11	C66	C67	H107	90.0°	60.0°
C66	C67	N12	H106	90.0°	120.1°
C66	C67	N12	H107	90.0°	120.0°
C66	C67	N12	C69	90.0°	90.0°
C66	C67	N12	C70	90.0°	90.0°
C67	C66	N11	H103	90.0°	0.0°
C67	C66	H104	H105	90.0°	120.0°
C66	C67	H106	H107	90.0°	120.0°
C67	N12	C69	C70	90.0°	179.9°
C67	N12	C70	C71	90.0°	78.4°
C67	N12	C69	C30	90.0°	176.8°
C67	N12	C69	O14	90.0°	3.2°
N12	C67	C66	H104	90.0°	60.0°
N12	C67	C66	H105	90.0°	60.0°
N12	C67	H106	H107	90.0°	120.0°
C67	N12	C70	H132	90.0°	161.6°
C67	N12	C70	H133	90.0°	41.6°
C69	N12	C70	C71	90.0°	101.6°
N12	C69	C30	O14	90.0°	180.0°
N12	C69	C30	C57	90.0°	139.0°
N12	C69	C30	C60	90.0°	40.8°
C69	N12	C67	H106	90.0°	30.0°
C69	N12	C67	H107	90.0°	150.0°
C69	N12	C70	H132	90.0°	18.3°
C69	N12	C70	H133	90.0°	138.4°
N12	C70	C71	H132	90.0°	120.0°
N12	C70	C71	H133	90.0°	120.0°
N12	C70	C71	N13	90.0°	172.7°
C70	N12	C69	C30	90.0°	3.2°
C70	N12	C69	O14	90.0°	176.8°
C70	N12	C67	H106	90.0°	149.9°
C70	N12	C67	H107	90.0°	30.0°
N12	C70	H132	H133	90.0°	120.0°
N12	C70	C71	H134	90.0°	67.3°
N12	C70	C71	H135	90.0°	52.7°
C70	C71	N13	H134	90.0°	120.0°
C70	C71	N13	H135	90.0°	120.0°
C70	C71	N13	C74	90.0°	180.0°
C71	C70	H132	H133	90.0°	120.0°
C70	C71	H134	H135	90.0°	120.1°
C70	C71	N13	H136	90.0°	0.0°
C71	N13	C74	H136	90.0°	180.0°
C71	N13	C74	O24	90.0°	0.0°
C71	N13	C74	C33	90.0°	180.0°
N13	C71	C70	H132	90.0°	52.7°
N13	C71	C70	H133	90.0°	67.3°
N13	C71	H134	H135	90.0°	120.0°
N13	C74	O24	C33	90.0°	180.0°
C74	N13	C71	H134	90.0°	60.0°
C74	N13	C71	H135	90.0°	60.0°
N13	C74	C33	H139	90.0°	0.1°
N13	C74	C33	H137	90.0°	119.9°
N13	C74	C33	H138	90.0°	120.0°
O4	C25	N4	H42	90.0°	180.0°
O4	C25	C26	H43	90.0°	120.0°
O4	C25	C26	H44	90.0°	120.0°
O5	C29	C28	H45	90.0°	120.0°
O5	C29	C28	H46	90.0°	119.9°
O5	C29	N5	H47	90.0°	180.0°
O7	C40	N6	H62	90.0°	180.0°
O7	C40	C41	H63	90.0°	120.0°
O7	C40	C41	H64	90.0°	120.0°
O8	C43	C42	H65	90.0°	120.0°
O8	C43	C42	H66	90.0°	120.0°
O8	C43	N7	H67	90.0°	180.0°
O11	C50	N8	H80	90.0°	180.0°
O11	C50	C51	H81	90.0°	120.1°
O11	C50	C51	H82	90.0°	119.9°
O12	C53	C52	H83	90.0°	120.0°
O12	C53	C52	H84	90.0°	120.0°
O12	C53	N9	H85	90.0°	180.0°
O22	C49	N10	H98	90.0°	179.9°
O22	C49	C54	H99	90.0°	120.0°
O22	C49	C54	H100	90.0°	120.0°
O23	C64	C63	H101	90.0°	120.0°
O23	C64	C63	H102	90.0°	120.0°
O23	C64	N11	H103	90.0°	180.0°
O24	C74	N13	H136	90.0°	180.0°
O24	C74	C33	H139	90.0°	180.0°
O24	C74	C33	H137	90.0°	60.0°
O24	C74	C33	H138	90.0°	60.1°
C33	C74	N13	H136	90.0°	0.0°
C74	C33	H139	H137	90.0°	120.0°
C74	C33	H139	H138	90.0°	119.9°
C74	C33	H137	H138	90.0°	120.0°
C69	C30	C57	C60	90.0°	179.8°
C69	C30	C60	C65	90.0°	180.0°
C69	C30	C57	C68	90.0°	180.0°
C69	C30	C57	H108	90.0°	0.0°
C69	C30	C60	H110	90.0°	0.1°
O14	C69	C30	C57	90.0°	41.0°
O14	C69	C30	C60	90.0°	139.2°
C57	C30	C60	C65	90.0°	0.2°
C30	C57	C68	H108	90.0°	180.0°
C30	C57	C68	C72	90.0°	0.0°
C30	C57	C68	H57	90.0°	180.0°
C57	C30	C60	H110	90.0°	179.7°
C30	C60	C65	H110	90.0°	179.9°
C60	C30	C57	C68	90.0°	0.2°
C30	C60	C65	C72	90.0°	0.0°
C60	C30	C57	H108	90.0°	179.8°
C30	C60	C65	H109	90.0°	179.9°
C60	C65	C72	C68	90.0°	0.2°
C60	C65	C72	H109	90.0°	179.9°
C60	C65	C72	C10	90.0°	180.0°
C57	C68	C72	H57	90.0°	180.0°
C57	C68	C72	C65	90.0°	0.2°
C57	C68	C72	C10	90.0°	180.0°
C68	C72	C65	C10	90.0°	179.8°
C68	C72	C10	N14	90.0°	90.2°
C72	C68	C57	H108	90.0°	180.0°
C68	C72	C65	H109	90.0°	179.7°
C68	C72	C10	H131	90.0°	29.8°
C68	C72	C10	H130	90.0°	149.8°
C65	C72	C10	N14	90.0°	90.0°
C65	C72	C68	H57	90.0°	179.8°
C72	C65	C60	H110	90.0°	179.9°
C65	C72	C10	H131	90.0°	150.1°
C65	C72	C10	H130	90.0°	30.1°
N15	N14	C76	C10	90.0°	179.8°
N15	N14	C76	C78	90.0°	0.0°
N14	N15	N16	C78	90.0°	0.0°
N15	N14	C10	C72	90.0°	55.0°
N15	N14	C76	H56	90.0°	180.0°
N15	N14	C10	H131	90.0°	175.0°
N15	N14	C10	H130	90.0°	65.1°
C76	N14	N15	N16	90.0°	0.0°
N14	C76	C78	H56	90.0°	179.9°
N14	C76	C78	N16	90.0°	0.0°
N14	C76	C78	CBL	90.0°	180.0°
C76	N14	C10	C72	90.0°	124.7°
C76	N14	C10	H131	90.0°	4.8°
C76	N14	C10	H130	90.0°	115.2°
N15	N16	C78	C76	90.0°	0.0°
N15	N16	C78	CBL	90.0°	180.0°
N16	N15	N14	C10	90.0°	179.7°
C76	C78	N16	CBL	90.0°	180.0°
C76	C78	CBL	OBL	90.0°	0.0°
C78	C76	N14	C10	90.0°	179.7°
C76	C78	CBL	H128	90.0°	119.9°
C76	C78	CBL	H129	90.0°	120.0°
N16	C78	CBL	OBL	90.0°	179.9°
N16	C78	C76	H56	90.0°	180.0°
N16	C78	CBL	H128	90.0°	60.1°
N16	C78	CBL	H129	90.0°	60.0°
C78	CBL	OBL	H128	90.0°	120.0°
C78	CBL	OBL	H129	90.0°	120.0°
C78	CBL	OBL	CBA	90.0°	175.5°
CBL	C78	C76	H56	90.0°	0.0°
C78	CBL	H128	H129	90.0°	120.1°
CBL	OBL	CBA	OBA	90.0°	52.8°
CBL	OBL	CBA	CBB	90.0°	172.7°
CBL	OBL	CBA	CBK	90.0°	67.3°
OBL	CBL	H128	H129	90.0°	120.0°
OBL	CBA	OBA	CBB	90.0°	120.0°
OBL	CBA	OBA	CBK	90.0°	120.1°
OBL	CBA	CBB	CBK	90.0°	120.0°
OBL	CBA	CBK	OBK	90.0°	179.9°
OBL	CBA	CBK	OBM	90.0°	0.2°
OBL	CBA	OBA	CBE	90.0°	58.8°
OBL	CBA	CBB	CBC	90.0°	62.4°
OBL	CBA	CBB	H121	90.0°	57.5°
OBL	CBA	CBB	H123	90.0°	177.8°
CBA	OBL	CBL	H128	90.0°	55.6°
CBA	OBL	CBL	H129	90.0°	64.5°
OBA	CBA	CBB	CBK	90.0°	120.0°
OBA	CBA	CBK	OBK	90.0°	60.1°
OBA	CBA	CBK	OBM	90.0°	119.8°
OBA	CBA	CBB	CBC	90.0°	57.6°
CBA	OBA	CBE	CBD	90.0°	61.2°
CBA	OBA	CBE	CBH	90.0°	178.8°
CBA	OBA	CBE	H119	90.0°	58.8°
OBA	CBA	CBB	H121	90.0°	177.5°
OBA	CBA	CBB	H123	90.0°	62.3°
CBB	CBA	CBK	OBK	90.0°	59.9°
CBB	CBA	CBK	OBM	90.0°	120.2°
CBB	CBA	OBA	CBE	90.0°	61.2°
CBA	CBB	CBC	H121	90.0°	119.9°
CBA	CBB	CBC	H123	90.0°	119.9°
CBA	CBB	CBC	CBD	90.0°	57.0°
CBA	CBB	CBC	OBC	90.0°	62.9°
CBA	CBB	CBC	H120	90.0°	176.8°
CBA	CBB	H121	H123	90.0°	120.2°
CBA	CBK	OBK	OBM	90.0°	179.9°
CBK	CBA	OBA	CBE	90.0°	178.9°
CBK	CBA	CBB	CBC	90.0°	177.6°
CBK	CBA	CBB	H121	90.0°	62.5°
CBK	CBA	CBB	H123	90.0°	57.7°
CBA	CBK	OBK	H127	90.0°	180.0°
OBM	CBK	OBK	H127	90.0°	0.1°
OBA	CBE	CBD	CBC	90.0°	57.6°
OBA	CBE	CBD	CBH	90.0°	120.0°
OBA	CBE	CBD	H119	90.0°	120.0°
OBA	CBE	CBD	NBD	90.0°	62.3°
OBA	CBE	CBH	H119	90.0°	120.0°
OBA	CBE	CBH	CBI	90.0°	60.0°
OBA	CBE	CBH	OBH	90.0°	180.0°
OBA	CBE	CBH	H114	90.0°	60.1°
OBA	CBE	CBD	H118	90.0°	177.6°
CBB	CBC	CBD	OBC	90.0°	119.9°
CBB	CBC	CBD	H120	90.0°	119.8°
CBB	CBC	CBD	CBE	90.0°	57.0°
CBB	CBC	OBC	H120	90.0°	120.2°
CBB	CBC	CBD	NBD	90.0°	62.9°
CBB	CBC	CBD	H118	90.0°	176.9°
CBC	CBB	H121	H123	90.0°	120.2°
CBB	CBC	OBC	H122	90.0°	60.0°
CBC	CBD	CBE	NBD	90.0°	119.9°
CBC	CBD	CBE	H118	90.0°	119.9°
CBD	CBC	OBC	H120	90.0°	120.2°
CBC	CBD	NBD	H118	90.0°	120.2°
CBC	CBD	NBD	CBF	90.0°	85.3°
CBC	CBD	CBE	CBH	90.0°	177.6°
CBC	CBD	CBE	H119	90.0°	62.4°
CBD	CBC	CBB	H121	90.0°	176.9°
CBD	CBC	OBC	H122	90.0°	179.5°
CBD	CBC	CBB	H123	90.0°	62.9°
CBC	CBD	NBD	H141	90.0°	94.7°
CBE	CBD	CBC	OBC	90.0°	62.9°
CBE	CBD	NBD	H118	90.0°	120.1°
CBE	CBD	NBD	CBF	90.0°	155.0°
CBD	CBE	CBH	H119	90.0°	120.1°
CBD	CBE	CBH	CBI	90.0°	179.9°
CBD	CBE	CBH	OBH	90.0°	60.1°
CBD	CBE	CBH	H114	90.0°	59.9°
CBE	CBD	CBC	H120	90.0°	176.8°
CBE	CBD	NBD	H141	90.0°	25.0°
OBC	CBC	CBD	NBD	90.0°	177.2°
OBC	CBC	CBD	H118	90.0°	57.0°
OBC	CBC	CBB	H121	90.0°	57.0°
OBC	CBC	CBB	H123	90.0°	177.3°
CBD	NBD	CBF	H141	90.0°	180.0°
CBD	NBD	CBF	CBG	90.0°	180.0°
CBD	NBD	CBF	OBF	90.0°	0.0°
NBD	CBD	CBE	CBH	90.0°	57.7°
NBD	CBD	CBE	H119	90.0°	177.7°
NBD	CBD	CBC	H120	90.0°	56.9°
NBD	CBF	CBG	OBF	90.0°	180.0°
CBF	NBD	CBD	H118	90.0°	34.9°
NBD	CBF	CBG	H124	90.0°	90.0°
NBD	CBF	CBG	H125	90.0°	150.0°
NBD	CBF	CBG	H126	90.0°	30.0°
CBF	CBG	H124	H125	90.0°	120.0°
CBF	CBG	H124	H126	90.0°	119.9°
CBF	CBG	H125	H126	90.0°	120.0°
CBG	CBF	NBD	H141	90.0°	0.0°
OBF	CBF	CBG	H124	90.0°	90.1°
OBF	CBF	CBG	H125	90.0°	30.0°
OBF	CBF	CBG	H126	90.0°	150.0°
OBF	CBF	NBD	H141	90.0°	180.0°
CBE	CBH	CBI	OBH	90.0°	120.0°
CBE	CBH	CBI	H114	90.0°	120.0°
CBE	CBH	OBH	H114	90.0°	120.0°
CBE	CBH	CBI	CBJ	90.0°	180.0°
CBE	CBH	CBI	OBI	90.0°	60.0°
CBE	CBH	OBH	H113	90.0°	60.0°
CBE	CBH	CBI	H115	90.0°	60.0°
CBH	CBE	CBD	H118	90.0°	62.5°
CBI	CBH	OBH	H114	90.0°	120.0°
CBH	CBI	CBJ	OBI	90.0°	120.0°
CBH	CBI	CBJ	H115	90.0°	120.0°
CBH	CBI	OBI	H115	90.0°	120.0°
CBH	CBI	CBJ	OBJ	90.0°	175.0°
CBI	CBH	OBH	H113	90.0°	180.0°
CBH	CBI	OBI	H112	90.0°	60.0°
CBH	CBI	CBJ	H116	90.0°	55.0°
CBH	CBI	CBJ	H117	90.0°	65.1°
CBI	CBH	CBE	H119	90.0°	60.0°
OBH	CBH	CBI	CBJ	90.0°	60.0°
OBH	CBH	CBI	OBI	90.0°	180.0°
OBH	CBH	CBI	H115	90.0°	60.0°
OBH	CBH	CBE	H119	90.0°	60.0°
CBJ	CBI	OBI	H115	90.0°	120.0°
CBI	CBJ	OBJ	H116	90.0°	120.0°
CBI	CBJ	OBJ	H117	90.0°	120.0°
CBI	CBJ	OBJ	H111	90.0°	180.0°
CBJ	CBI	OBI	H112	90.0°	60.0°
CBI	CBJ	H116	H117	90.0°	120.1°
CBJ	CBI	CBH	H114	90.0°	60.0°
OBI	CBI	CBJ	OBJ	90.0°	65.0°
OBI	CBI	CBJ	H116	90.0°	175.0°
OBI	CBI	CBJ	H117	90.0°	55.0°
OBI	CBI	CBH	H114	90.0°	60.0°
OBJ	CBJ	H116	H117	90.0°	120.0°
OBJ	CBJ	CBI	H115	90.0°	55.1°
H23	C3	C6	H26	90.0°	0.0°
H24	C4	C5	H25	90.0°	0.0°
H27	C15	C14	H40	90.0°	180.0°
H27	C15	C14	H41	90.0°	60.1°
H28	C15	C14	H40	90.0°	60.1°
H28	C15	C14	H41	90.0°	NaN°
H29	C16	C9	H31	90.0°	174.8°
H29	C16	C9	H32	90.0°	54.9°
H30	C16	C9	H31	90.0°	65.2°
H30	C16	C9	H32	90.0°	174.8°
H31	C9	N2	H33	90.0°	120.0°
H32	C9	N2	H33	90.0°	120.0°
H34	C19	C21	H36	90.0°	180.0°
H34	C19	C21	H37	90.0°	59.9°
H35	C19	C21	H36	90.0°	60.0°
H35	C19	C21	H37	90.0°	180.0°
H40	C14	N4	H42	90.0°	120.0°
H41	C14	N4	H42	90.0°	120.1°
H43	C26	C28	H45	90.0°	180.0°
H43	C26	C28	H46	90.0°	59.9°
H44	C26	C28	H45	90.0°	60.0°
H44	C26	C28	H46	90.0°	180.0°
H47	N5	C31	H48	90.0°	119.9°
H47	N5	C31	H49	90.0°	120.0°
H48	C31	C32	H50	90.0°	65.1°
H48	C31	C32	H51	90.0°	175.0°
H49	C31	C32	H50	90.0°	55.0°
H49	C31	C32	H51	90.0°	65.0°
H52	C34	C35	H54	90.0°	65.0°
H52	C34	C35	H55	90.0°	175.0°
H53	C34	C35	H54	90.0°	55.0°
H53	C34	C35	H55	90.0°	65.0°
H58	C37	C38	H60	90.0°	65.0°
H58	C37	C38	H61	90.0°	175.0°
H59	C37	C38	H60	90.0°	55.0°
H59	C37	C38	H61	90.0°	65.0°
H60	C38	N6	H62	90.0°	120.0°
H61	C38	N6	H62	90.0°	120.0°
H63	C41	C42	H65	90.0°	179.9°
H63	C41	C42	H66	90.0°	60.0°
H64	C41	C42	H65	90.0°	60.0°
H64	C41	C42	H66	90.0°	180.0°
H67	N7	C45	H68	90.0°	120.0°
H67	N7	C45	H69	90.0°	119.9°
H68	C45	C20	H70	90.0°	65.0°
H68	C45	C20	H71	90.0°	174.9°
H69	C45	C20	H70	90.0°	55.0°
H69	C45	C20	H71	90.0°	65.0°
H72	C39	C44	H74	90.0°	65.0°
H72	C39	C44	H75	90.0°	175.0°
H73	C39	C44	H74	90.0°	55.0°
H73	C39	C44	H75	90.0°	64.9°
H76	C47	C48	H78	90.0°	65.0°
H76	C47	C48	H79	90.0°	175.0°
H77	C47	C48	H78	90.0°	55.0°
H77	C47	C48	H79	90.0°	65.0°
H78	C48	N8	H80	90.0°	120.0°
H79	C48	N8	H80	90.0°	119.9°
H81	C51	C52	H83	90.0°	NaN°
H81	C51	C52	H84	90.0°	59.9°
H82	C51	C52	H83	90.0°	60.0°
H82	C51	C52	H84	90.0°	180.0°
H85	N9	C55	H86	90.0°	120.0°
H85	N9	C55	H87	90.0°	120.0°
H86	C55	C56	H88	90.0°	65.0°
H86	C55	C56	H89	90.0°	174.9°
H87	C55	C56	H88	90.0°	55.0°
H87	C55	C56	H89	90.0°	65.0°
H90	C58	C59	H92	90.0°	65.0°
H90	C58	C59	H93	90.0°	175.0°
H91	C58	C59	H92	90.0°	55.0°
H91	C58	C59	H93	90.0°	65.0°
H94	C61	C62	H96	90.0°	65.0°
H94	C61	C62	H97	90.0°	175.0°
H95	C61	C62	H96	90.0°	55.0°
H95	C61	C62	H97	90.0°	65.0°
H96	C62	N10	H98	90.0°	119.9°
H97	C62	N10	H98	90.0°	120.0°
H99	C54	C63	H101	90.0°	180.0°
H99	C54	C63	H102	90.0°	60.0°
H100	C54	C63	H101	90.0°	60.0°
H100	C54	C63	H102	90.0°	180.0°
H103	N11	C66	H104	90.0°	120.0°
H103	N11	C66	H105	90.0°	120.0°
H104	C66	C67	H106	90.0°	180.0°
H104	C66	C67	H107	90.0°	60.0°
H105	C66	C67	H106	90.0°	60.0°
H105	C66	C67	H107	90.0°	179.9°
C72	C10	N14	H131	90.0°	120.0°
C72	C10	N14	H130	90.0°	120.1°
C10	C72	C68	H57	90.0°	0.0°
C10	C72	C65	H109	90.0°	0.1°
C72	C10	H131	H130	90.0°	120.0°
C10	N14	C76	H56	90.0°	0.2°
N14	C10	H131	H130	90.0°	120.0°
H57	C68	C57	H108	90.0°	0.0°
H110	C60	C65	H109	90.0°	0.0°
H111	OBJ	CBJ	H116	90.0°	60.0°
H111	OBJ	CBJ	H117	90.0°	60.0°
H113	OBH	CBH	H114	90.0°	59.9°
H112	OBI	CBI	H115	90.0°	180.0°
H116	CBJ	CBI	H115	90.0°	65.0°
H117	CBJ	CBI	H115	90.0°	175.0°
H115	CBI	CBH	H114	90.0°	180.0°
H114	CBH	CBE	H119	90.0°	179.9°
H119	CBE	CBD	H118	90.0°	57.6°
H118	CBD	CBC	H120	90.0°	63.3°
H118	CBD	NBD	H141	90.0°	145.1°
H120	CBC	CBB	H121	90.0°	63.3°
H120	CBC	OBC	H122	90.0°	60.2°
H120	CBC	CBB	H123	90.0°	56.9°
H124	CBG	H125	H126	90.0°	120.0°
H132	C70	C71	H134	90.0°	172.7°
H132	C70	C71	H135	90.0°	67.3°
H133	C70	C71	H134	90.0°	52.6°
H133	C70	C71	H135	90.0°	172.7°
H134	C71	N13	H136	90.0°	120.0°
H135	C71	N13	H136	90.0°	120.0°
H139	C33	H137	H138	90.0°	120.0°

Release date:	2019-03-27
Definition date:	2018-10-15
Last modified:	2025-04-14
Release status:	REL
Processing site:	PDBE
Derived from:	6HKV