PRD_002456

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C5	sing	0.00Å	1.49Å
N1	C4	sing	0.00Å	1.48Å
N1	C1	sing	0.00Å	1.46Å
C1	C2	sing	0.00Å	1.54Å
C1	C3	sing	0.00Å	1.52Å
C2	O1	doub	0.00Å	1.23Å
C3	C7	sing	0.00Å	1.54Å
C3	C6	sing	0.00Å	1.52Å
C1	H1	sing	0.00Å	1.10Å
C3	H2	sing	0.00Å	1.10Å
C4	H3	sing	0.00Å	1.10Å
C4	H4	sing	0.00Å	1.10Å
C4	H5	sing	0.00Å	1.10Å
C5	H6	sing	0.00Å	1.10Å
C5	H7	sing	0.00Å	1.10Å
C5	H8	sing	0.00Å	1.10Å
C6	H9	sing	0.00Å	1.10Å
C6	H10	sing	0.00Å	1.10Å
C6	H11	sing	0.00Å	1.10Å
C7	H12	sing	0.00Å	1.10Å
C7	H13	sing	0.00Å	1.10Å
C7	H14	sing	0.00Å	1.10Å
N2	C8	sing	0.00Å	1.50Å
N2	H15	sing	0.00Å	1.00Å
C8	C9	sing	0.00Å	1.55Å
C8	C10	sing	0.00Å	1.54Å
C8	H16	sing	0.00Å	1.10Å
C9	O2	doub	0.00Å	1.24Å
C10	C11	sing	0.00Å	1.50Å
C10	C12	sing	0.00Å	1.52Å
C10	H17	sing	0.00Å	1.10Å
C11	H18	sing	0.00Å	1.10Å
C11	H19	sing	0.00Å	1.10Å
C11	H20	sing	0.00Å	1.10Å
C12	H21	sing	0.00Å	1.10Å
C12	H22	sing	0.00Å	1.10Å
C12	H23	sing	0.00Å	1.10Å
C19	C18	sing	0.00Å	1.53Å
C18	C15	sing	0.00Å	1.54Å
C13	C14	sing	0.00Å	1.51Å
C13	C15	sing	0.00Å	1.56Å
C13	N3	sing	0.00Å	1.47Å
C14	O3	doub	0.00Å	1.22Å
C17	C15	sing	0.00Å	1.54Å
N3	C16	sing	0.00Å	1.46Å
C13	H24	sing	0.00Å	1.10Å
C15	H25	sing	0.00Å	1.10Å
C16	H26	sing	0.00Å	1.10Å
C16	H27	sing	0.00Å	1.10Å
C16	H28	sing	0.00Å	1.10Å
C17	H29	sing	0.00Å	1.10Å
C17	H30	sing	0.00Å	1.10Å
C17	H31	sing	0.00Å	1.10Å
C18	H32	sing	0.00Å	1.10Å
C18	H33	sing	0.00Å	1.10Å
C19	H34	sing	0.00Å	1.10Å
C19	H35	sing	0.00Å	1.10Å
C19	H36	sing	0.00Å	1.10Å
N4	C20	sing	0.00Å	1.48Å
N4	H37	sing	0.00Å	1.00Å
C20	C21	sing	0.00Å	1.43Å
C20	C22	sing	0.00Å	1.54Å
C20	H38	sing	0.00Å	1.10Å
C21	O4	doub	0.00Å	1.24Å
C22	O5	sing	0.00Å	1.46Å
C22	C23	sing	0.00Å	1.54Å
C22	H39	sing	0.00Å	1.10Å
C23	H40	sing	0.00Å	1.10Å
C23	H41	sing	0.00Å	1.10Å
C23	H42	sing	0.00Å	1.10Å
C28	N5	sing	0.00Å	1.49Å
N5	C25	sing	0.00Å	1.52Å
O6	C24	doub	0.00Å	1.22Å
O7	C26	sing	0.00Å	1.43Å
O7	H43	sing	0.00Å	0.95Å
C25	C24	sing	0.00Å	1.38Å
C26	C25	sing	0.00Å	1.54Å
C25	H44	sing	0.00Å	1.10Å
C27	C26	sing	0.00Å	1.52Å
C26	H45	sing	0.00Å	1.10Å
C27	H46	sing	0.00Å	1.10Å
C27	H47	sing	0.00Å	1.10Å
C27	H48	sing	0.00Å	1.10Å
C28	H49	sing	0.00Å	1.10Å
C28	H50	sing	0.00Å	1.10Å
C28	H51	sing	0.00Å	1.10Å
N6	C29	sing	0.00Å	1.49Å
N6	H52	sing	0.00Å	1.00Å
C29	C30	sing	0.00Å	1.41Å
C29	C31	sing	0.00Å	1.53Å
C29	H53	sing	0.00Å	1.10Å
C30	O8	doub	0.00Å	1.23Å
C31	C32	sing	0.00Å	1.51Å
C31	C33	sing	0.00Å	1.52Å
C31	H54	sing	0.00Å	1.10Å
C32	H55	sing	0.00Å	1.10Å
C32	H56	sing	0.00Å	1.10Å
C32	H57	sing	0.00Å	1.10Å
C33	H58	sing	0.00Å	1.10Å
C33	H59	sing	0.00Å	1.10Å
C33	H60	sing	0.00Å	1.10Å
N7	C34	sing	0.00Å	1.51Å
N7	C35	sing	0.00Å	1.49Å
C34	H61	sing	0.00Å	1.10Å
C34	H62	sing	0.00Å	1.10Å
C34	H63	sing	0.00Å	1.10Å
C35	C36	sing	0.00Å	1.52Å
C35	C40	sing	0.00Å	1.42Å
C35	H64	sing	0.00Å	1.10Å
C36	C37	sing	0.00Å	1.55Å
C36	H65	sing	0.00Å	1.10Å
C36	H66	sing	0.00Å	1.10Å
C37	C38	sing	0.00Å	1.56Å
C37	C39	sing	0.00Å	1.54Å
C37	H67	sing	0.00Å	1.10Å
C38	H68	sing	0.00Å	1.10Å
C38	H69	sing	0.00Å	1.10Å
C38	H70	sing	0.00Å	1.10Å
C39	H71	sing	0.00Å	1.10Å
C39	H72	sing	0.00Å	1.10Å
C39	H73	sing	0.00Å	1.10Å
C40	O9	doub	0.00Å	1.24Å
N8	C41	sing	0.00Å	1.53Å
N8	H74	sing	0.00Å	1.00Å
C41	C42	sing	0.00Å	1.39Å
C41	C43	sing	0.00Å	1.55Å
C41	H75	sing	0.00Å	1.10Å
C42	O10	doub	0.00Å	1.23Å
C43	C44	sing	0.00Å	1.53Å
C43	C45	sing	0.00Å	1.51Å
C43	H76	sing	0.00Å	1.10Å
C44	H77	sing	0.00Å	1.10Å
C44	H78	sing	0.00Å	1.10Å
C44	H79	sing	0.00Å	1.10Å
C45	H80	sing	0.00Å	1.10Å
C45	H81	sing	0.00Å	1.10Å
C45	H82	sing	0.00Å	1.10Å
N9	C46	sing	0.00Å	1.50Å
N9	C47	sing	0.00Å	1.51Å
C46	H83	sing	0.00Å	1.10Å
C46	H84	sing	0.00Å	1.10Å
C46	H85	sing	0.00Å	1.10Å
C47	C48	sing	0.00Å	1.56Å
C47	C51	sing	0.00Å	1.42Å
C47	H86	sing	0.00Å	1.10Å
C48	C49	sing	0.00Å	1.53Å
C48	C50	sing	0.00Å	1.55Å
C48	H87	sing	0.00Å	1.10Å
C49	H88	sing	0.00Å	1.10Å
C49	H89	sing	0.00Å	1.10Å
C49	H90	sing	0.00Å	1.10Å
C50	H91	sing	0.00Å	1.10Å
C50	H92	sing	0.00Å	1.10Å
C50	H93	sing	0.00Å	1.10Å
C51	O11	doub	0.00Å	1.23Å
C52	N10	sing	0.00Å	1.49Å
C53	C54	sing	0.00Å	1.55Å
C53	N10	sing	0.00Å	1.48Å
C53	C64	sing	0.00Å	1.40Å
C54	C55	sing	0.00Å	1.55Å
C55	C56	doub	0.00Å	1.33Å	Aromatic
C55	C58	sing	0.00Å	1.35Å	Aromatic
C56	N11	sing	0.00Å	1.33Å	Aromatic
C57	N11	sing	0.00Å	1.33Å	Aromatic
C57	C62	doub	0.00Å	1.33Å	Aromatic
C57	C58	sing	0.00Å	1.34Å	Aromatic
C58	C59	doub	0.00Å	1.35Å	Aromatic
C59	O12	sing	0.00Å	1.37Å
C59	C60	sing	0.00Å	1.39Å	Aromatic
C60	C61	doub	0.00Å	1.38Å	Aromatic
C61	C62	sing	0.00Å	1.39Å	Aromatic
C63	O12	sing	0.00Å	1.42Å
C64	O13	doub	0.00Å	1.23Å
C52	H94	sing	0.00Å	1.10Å
C52	H95	sing	0.00Å	1.10Å
C52	H96	sing	0.00Å	1.10Å
C53	H97	sing	0.00Å	1.10Å
C54	H98	sing	0.00Å	1.10Å
C54	H99	sing	0.00Å	1.10Å
C56	H100	sing	0.00Å	1.08Å
C60	H101	sing	0.00Å	1.08Å
C61	H102	sing	0.00Å	1.08Å
C62	H103	sing	0.00Å	1.08Å
C63	H104	sing	0.00Å	1.10Å
C63	H105	sing	0.00Å	1.10Å
C63	H106	sing	0.00Å	1.10Å
N11	H107	sing	0.00Å	1.00Å
N12	C65	sing	0.00Å	1.46Å
N12	H108	sing	0.00Å	1.00Å
C65	C66	sing	0.00Å	1.40Å
C65	C67	sing	0.00Å	1.54Å
C65	H109	sing	0.00Å	1.10Å
C66	O14	doub	0.00Å	1.24Å
C67	C68	sing	0.00Å	1.53Å
C67	C69	sing	0.00Å	1.53Å
C67	H110	sing	0.00Å	1.10Å
C68	H111	sing	0.00Å	1.10Å
C68	H112	sing	0.00Å	1.10Å
C68	H113	sing	0.00Å	1.10Å
C69	H114	sing	0.00Å	1.10Å
C69	H115	sing	0.00Å	1.10Å
C69	H116	sing	0.00Å	1.10Å
N13	C70	sing	0.00Å	1.45Å
C70	C71	sing	0.00Å	1.41Å
C70	C72	sing	0.00Å	1.55Å
C72	O15	sing	0.00Å	1.45Å
C72	C73	sing	0.00Å	1.40Å
C73	C74	sing	0.00Å	1.39Å	Aromatic
C73	C75	doub	0.00Å	1.39Å	Aromatic
C74	C76	doub	0.00Å	1.38Å	Aromatic
C75	C77	sing	0.00Å	1.38Å	Aromatic
C76	C78	sing	0.00Å	1.39Å	Aromatic
C77	C78	doub	0.00Å	1.38Å	Aromatic
C71	O16	sing	0.00Å	57.35Å
N13	H117	sing	0.00Å	1.00Å
C70	H118	sing	0.00Å	1.10Å
C72	H119	sing	0.00Å	1.10Å
O15	H121	sing	0.00Å	0.95Å
C74	H122	sing	0.00Å	1.08Å
C75	H123	sing	0.00Å	1.08Å
C76	H124	sing	0.00Å	1.08Å
C77	H125	sing	0.00Å	1.08Å
C78	H126	sing	0.00Å	1.08Å
O16	H120	sing	0.00Å	0.00Å
N14	C79	sing	0.00Å	1.48Å
N14	H127	sing	0.00Å	1.00Å
C79	C80	sing	0.00Å	1.41Å
C79	C81	sing	0.00Å	1.54Å
C79	H128	sing	0.00Å	1.10Å
C80	O17	doub	0.00Å	1.24Å
C81	C82	sing	0.00Å	1.53Å
C81	C83	sing	0.00Å	1.53Å
C81	H129	sing	0.00Å	1.10Å
C82	H130	sing	0.00Å	1.10Å
C82	H131	sing	0.00Å	1.10Å
C82	H132	sing	0.00Å	1.10Å
C83	H133	sing	0.00Å	1.10Å
C83	H134	sing	0.00Å	1.10Å
C83	H135	sing	0.00Å	1.10Å
C2	N2	sing	0.00Å	1.36Å
C9	N3	sing	0.00Å	1.36Å
C14	N4	sing	0.00Å	1.33Å
C21	N5	sing	0.00Å	1.37Å
O5	C80	sing	0.00Å	1.38Å
C24	N6	sing	0.00Å	1.38Å
C30	N7	sing	0.00Å	1.35Å
C40	N8	sing	0.00Å	1.39Å
C42	N9	sing	0.00Å	1.36Å
C51	N10	sing	0.00Å	1.33Å
C64	N12	sing	0.00Å	1.36Å
C66	N13	sing	0.00Å	1.39Å
C71	N14	sing	0.00Å	1.38Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5	N1	C4	102.3°	90.0°
C5	N1	C1	109.6°	90.0°
N1	C5	H6	109.5°	90.0°
N1	C5	H7	109.5°	90.0°
N1	C5	H8	109.5°	90.0°
C4	N1	C1	114.3°	90.0°
N1	C4	H3	109.5°	90.0°
N1	C4	H4	109.5°	90.0°
N1	C4	H5	109.5°	90.0°
N1	C1	C2	110.0°	90.0°
N1	C1	C3	113.5°	90.0°
N1	C1	H1	109.2°	90.0°
C2	C1	C3	107.5°	90.0°
C1	C2	O1	118.3°	90.0°
C2	C1	H1	108.2°	90.0°
C1	C2	N2	120.2°	90.0°
C1	C3	C7	106.5°	90.0°
C1	C3	C6	114.1°	90.0°
C3	C1	H1	108.4°	90.0°
C1	C3	H2	109.0°	90.0°
O1	C2	N2	121.6°	90.0°
C7	C3	C6	109.3°	90.0°
C7	C3	H2	108.8°	90.0°
C3	C7	H12	109.5°	90.0°
C3	C7	H13	109.5°	90.0°
C3	C7	H14	109.5°	90.0°
C6	C3	H2	109.0°	90.0°
C3	C6	H9	109.5°	90.0°
C3	C6	H10	109.5°	90.0°
C3	C6	H11	109.5°	90.0°
H3	C4	H4	109.5°	90.0°
H3	C4	H5	109.4°	90.0°
H4	C4	H5	109.4°	90.0°
H6	C5	H7	109.5°	90.0°
H6	C5	H8	109.5°	90.0°
H7	C5	H8	109.5°	90.0°
H9	C6	H10	109.5°	90.0°
H9	C6	H11	109.5°	90.0°
H10	C6	H11	109.4°	90.0°
H12	C7	H13	109.5°	90.0°
H12	C7	H14	109.5°	90.0°
H13	C7	H14	109.5°	90.0°
C8	N2	H15	121.6°	90.0°
N2	C8	C9	103.3°	90.0°
N2	C8	C10	117.7°	90.0°
N2	C8	H16	106.9°	90.0°
C8	N2	C2	116.8°	90.0°
H15	N2	C2	121.6°	90.0°
C9	C8	C10	115.2°	90.0°
C9	C8	H16	106.4°	90.0°
C8	C9	O2	120.1°	90.0°
C8	C9	N3	117.2°	90.0°
C10	C8	H16	106.5°	90.0°
C8	C10	C11	111.8°	90.0°
C8	C10	C12	110.0°	90.0°
C8	C10	H17	107.4°	90.0°
O2	C9	N3	122.6°	90.0°
C11	C10	C12	111.9°	90.0°
C11	C10	H17	107.8°	90.0°
C10	C11	H18	109.5°	90.0°
C10	C11	H19	109.5°	90.0°
C10	C11	H20	109.5°	90.0°
C12	C10	H17	107.6°	90.0°
C10	C12	H21	109.5°	90.0°
C10	C12	H22	109.5°	90.0°
C10	C12	H23	109.4°	90.0°
H18	C11	H19	109.4°	90.0°
H18	C11	H20	109.5°	90.0°
H19	C11	H20	109.4°	90.0°
H21	C12	H22	109.5°	90.0°
H21	C12	H23	109.5°	90.0°
H22	C12	H23	109.5°	90.0°
C19	C18	C15	112.6°	90.0°
C19	C18	H32	108.7°	90.0°
C19	C18	H33	108.7°	90.0°
C18	C19	H34	109.5°	90.0°
C18	C19	H35	109.4°	90.0°
C18	C19	H36	109.5°	90.0°
C18	C15	C13	108.4°	90.0°
C18	C15	C17	113.5°	90.0°
C18	C15	H25	108.3°	90.0°
C15	C18	H32	108.7°	90.0°
C15	C18	H33	108.7°	90.0°
C14	C13	C15	109.7°	90.0°
C14	C13	N3	111.5°	90.0°
C13	C14	O3	121.0°	90.0°
C14	C13	H24	108.7°	90.0°
C13	C14	N4	114.2°	90.0°
C15	C13	N3	109.4°	90.0°
C13	C15	C17	109.9°	90.0°
C15	C13	H24	108.1°	90.0°
C13	C15	H25	108.1°	90.0°
C13	N3	C16	118.8°	90.0°
N3	C13	H24	109.3°	90.0°
C13	N3	C9	120.8°	90.0°
O3	C14	N4	124.8°	90.0°
C17	C15	H25	108.5°	90.0°
C15	C17	H29	109.5°	90.0°
C15	C17	H30	109.5°	90.0°
C15	C17	H31	109.5°	90.0°
N3	C16	H26	109.5°	90.0°
N3	C16	H27	109.5°	90.0°
N3	C16	H28	109.5°	90.0°
C16	N3	C9	120.4°	90.0°
H26	C16	H27	109.4°	90.0°
H26	C16	H28	109.5°	90.0°
H27	C16	H28	109.5°	90.0°
H29	C17	H30	109.4°	90.0°
H29	C17	H31	109.5°	90.0°
H30	C17	H31	109.4°	90.0°
H32	C18	H33	109.5°	90.0°
H34	C19	H35	109.4°	90.0°
H34	C19	H36	109.5°	90.0°
H35	C19	H36	109.5°	90.0°
C20	N4	H37	117.5°	90.0°
N4	C20	C21	105.8°	90.0°
N4	C20	C22	108.1°	90.0°
N4	C20	H38	108.5°	90.0°
C20	N4	C14	125.1°	90.0°
H37	N4	C14	117.5°	90.0°
C21	C20	C22	117.4°	90.0°
C21	C20	H38	109.1°	90.0°
C20	C21	O4	120.4°	90.0°
C20	C21	N5	121.0°	90.0°
C22	C20	H38	107.6°	90.0°
C20	C22	O5	114.3°	90.0°
C20	C22	C23	108.2°	90.0°
C20	C22	H39	107.8°	90.0°
O4	C21	N5	118.6°	90.0°
O5	C22	C23	109.6°	90.0°
O5	C22	H39	108.9°	90.0°
C22	O5	C80	109.8°	90.0°
C23	C22	H39	107.8°	90.0°
C22	C23	H40	109.5°	90.0°
C22	C23	H41	109.5°	90.0°
C22	C23	H42	109.5°	90.0°
H40	C23	H41	109.4°	90.0°
H40	C23	H42	109.5°	90.0°
H41	C23	H42	109.5°	90.0°
C28	N5	C25	117.6°	90.0°
N5	C28	H49	109.5°	90.0°
N5	C28	H50	109.5°	90.0°
N5	C28	H51	109.5°	90.0°
C28	N5	C21	121.1°	90.0°
N5	C25	C24	115.5°	90.0°
N5	C25	C26	107.5°	90.0°
N5	C25	H44	107.5°	90.0°
C25	N5	C21	121.3°	90.0°
O6	C24	C25	122.5°	90.0°
O6	C24	N6	117.2°	90.0°
C26	O7	H43	109.5°	90.0°
O7	C26	C25	108.5°	90.0°
O7	C26	C27	107.6°	90.0°
O7	C26	H45	110.5°	90.0°
C24	C25	C26	109.4°	90.0°
C24	C25	H44	109.3°	90.0°
C25	C24	N6	120.1°	90.0°
C26	C25	H44	107.3°	90.0°
C25	C26	C27	111.9°	90.0°
C25	C26	H45	109.0°	90.0°
C27	C26	H45	109.3°	90.0°
C26	C27	H46	109.5°	90.0°
C26	C27	H47	109.4°	90.0°
C26	C27	H48	109.5°	90.0°
H46	C27	H47	109.5°	90.0°
H46	C27	H48	109.5°	90.0°
H47	C27	H48	109.5°	90.0°
H49	C28	H50	109.4°	90.0°
H49	C28	H51	109.5°	90.0°
H50	C28	H51	109.5°	90.0°
C29	N6	H52	119.9°	90.0°
N6	C29	C30	108.8°	90.0°
N6	C29	C31	106.6°	90.0°
N6	C29	H53	110.0°	90.0°
C29	N6	C24	120.3°	90.0°
H52	N6	C24	119.9°	90.0°
C30	C29	C31	110.8°	90.0°
C30	C29	H53	111.1°	90.0°
C29	C30	O8	119.8°	90.0°
C29	C30	N7	123.8°	90.0°
C31	C29	H53	109.4°	90.0°
C29	C31	C32	111.5°	90.0°
C29	C31	C33	106.2°	90.0°
C29	C31	H54	109.5°	90.0°
O8	C30	N7	116.4°	90.0°
C32	C31	C33	110.1°	90.0°
C32	C31	H54	109.7°	90.0°
C31	C32	H55	109.5°	90.0°
C31	C32	H56	109.5°	90.0°
C31	C32	H57	109.5°	90.0°
C33	C31	H54	109.7°	90.0°
C31	C33	H58	109.5°	90.0°
C31	C33	H59	109.5°	90.0°
C31	C33	H60	109.5°	90.0°
H55	C32	H56	109.5°	90.0°
H55	C32	H57	109.5°	90.0°
H56	C32	H57	109.5°	90.0°
H58	C33	H59	109.5°	90.0°
H58	C33	H60	109.4°	90.0°
H59	C33	H60	109.5°	90.0°
C34	N7	C35	119.2°	90.0°
N7	C34	H61	109.5°	90.0°
N7	C34	H62	109.5°	90.0°
N7	C34	H63	109.4°	90.0°
C34	N7	C30	123.4°	90.0°
N7	C35	C36	114.5°	90.0°
N7	C35	C40	103.9°	90.0°
N7	C35	H64	109.0°	90.0°
C35	N7	C30	117.4°	90.0°
H61	C34	H62	109.4°	90.0°
H61	C34	H63	109.5°	90.0°
H62	C34	H63	109.5°	90.0°
C36	C35	C40	110.9°	90.0°
C36	C35	H64	108.6°	90.0°
C35	C36	C37	111.7°	90.0°
C35	C36	H65	108.9°	90.0°
C35	C36	H66	108.9°	90.0°
C40	C35	H64	109.9°	90.0°
C35	C40	O9	121.8°	90.0°
C35	C40	N8	120.7°	90.0°
C37	C36	H65	108.9°	90.0°
C37	C36	H66	108.9°	90.0°
C36	C37	C38	106.4°	90.0°
C36	C37	C39	115.5°	90.0°
C36	C37	H67	108.6°	90.0°
H65	C36	H66	109.5°	90.0°
C38	C37	C39	108.7°	90.0°
C38	C37	H67	108.6°	90.0°
C37	C38	H68	109.5°	90.0°
C37	C38	H69	109.5°	90.0°
C37	C38	H70	109.5°	90.0°
C39	C37	H67	108.8°	90.0°
C37	C39	H71	109.5°	90.0°
C37	C39	H72	109.5°	90.0°
C37	C39	H73	109.5°	90.0°
H68	C38	H69	109.5°	90.0°
H68	C38	H70	109.4°	90.0°
H69	C38	H70	109.5°	90.0°
H71	C39	H72	109.5°	90.0°
H71	C39	H73	109.5°	90.0°
H72	C39	H73	109.5°	90.0°
O9	C40	N8	117.4°	90.0°
C41	N8	H74	120.2°	90.0°
N8	C41	C42	105.0°	90.0°
N8	C41	C43	110.4°	90.0°
N8	C41	H75	106.7°	90.0°
C41	N8	C40	119.6°	90.0°
H74	N8	C40	120.2°	90.0°
C42	C41	C43	119.4°	90.0°
C42	C41	H75	108.3°	90.0°
C41	C42	O10	120.7°	90.0°
C41	C42	N9	118.9°	90.0°
C43	C41	H75	106.4°	90.0°
C41	C43	C44	111.3°	90.0°
C41	C43	C45	110.9°	90.0°
C41	C43	H76	108.1°	90.0°
O10	C42	N9	120.1°	90.0°
C44	C43	C45	109.6°	90.0°
C44	C43	H76	108.3°	90.0°
C43	C44	H77	109.5°	90.0°
C43	C44	H78	109.5°	90.0°
C43	C44	H79	109.5°	90.0°
C45	C43	H76	108.5°	90.0°
C43	C45	H80	109.5°	90.0°
C43	C45	H81	109.5°	90.0°
C43	C45	H82	109.5°	90.0°
H77	C44	H78	109.5°	90.0°
H77	C44	H79	109.5°	90.0°
H78	C44	H79	109.5°	90.0°
H80	C45	H81	109.5°	90.0°
H80	C45	H82	109.5°	90.0°
H81	C45	H82	109.5°	90.0°
C46	N9	C47	113.4°	90.0°
N9	C46	H83	109.5°	90.0°
N9	C46	H84	109.5°	90.0°
N9	C46	H85	109.5°	90.0°
C46	N9	C42	122.6°	90.0°
N9	C47	C48	115.9°	90.0°
N9	C47	C51	113.6°	90.0°
N9	C47	H86	105.6°	90.0°
C47	N9	C42	124.0°	90.0°
H83	C46	H84	109.4°	90.0°
H83	C46	H85	109.5°	90.0°
H84	C46	H85	109.5°	90.0°
C48	C47	C51	109.2°	90.0°
C48	C47	H86	105.1°	90.0°
C47	C48	C49	107.6°	90.0°
C47	C48	C50	113.7°	90.0°
C47	C48	H87	108.6°	90.0°
C51	C47	H86	106.6°	90.0°
C47	C51	O11	122.1°	90.0°
C47	C51	N10	121.1°	90.0°
C49	C48	C50	109.3°	90.0°
C49	C48	H87	108.9°	90.0°
C48	C49	H88	109.5°	90.0°
C48	C49	H89	109.5°	90.0°
C48	C49	H90	109.4°	90.0°
C50	C48	H87	108.7°	90.0°
C48	C50	H91	109.5°	90.0°
C48	C50	H92	109.5°	90.0°
C48	C50	H93	109.5°	90.0°
H88	C49	H89	109.4°	90.0°
H88	C49	H90	109.5°	90.0°
H89	C49	H90	109.5°	90.0°
H91	C50	H92	109.5°	90.0°
H91	C50	H93	109.5°	90.0°
H92	C50	H93	109.5°	90.0°
O11	C51	N10	116.7°	90.0°
C52	N10	C53	117.4°	90.0°
N10	C52	H94	109.5°	90.0°
N10	C52	H95	109.5°	90.0°
N10	C52	H96	109.5°	90.0°
C52	N10	C51	122.2°	90.0°
C54	C53	N10	111.6°	90.0°
C54	C53	C64	109.3°	90.0°
C53	C54	C55	115.3°	90.0°
C54	C53	H97	105.0°	90.0°
C53	C54	H98	108.0°	90.0°
C53	C54	H99	108.0°	90.0°
N10	C53	C64	117.6°	90.0°
N10	C53	H97	105.7°	90.0°
C53	N10	C51	120.4°	90.0°
C53	C64	O13	122.0°	90.0°
C64	C53	H97	106.6°	90.0°
C53	C64	N12	120.8°	90.0°
C54	C55	C56	121.9°	90.0°
C54	C55	C58	128.1°	90.0°
C55	C54	H98	108.0°	90.0°
C55	C54	H99	108.0°	90.0°
C56	C55	C58	110.0°	90.0°
C55	C56	N11	106.8°	90.0°
C55	C56	H100	126.6°	90.0°
C55	C58	C57	105.6°	90.0°
C55	C58	C59	134.6°	90.0°
C56	N11	C57	109.0°	90.0°
N11	C56	H100	126.6°	90.0°
C56	N11	H107	125.5°	90.0°
N11	C57	C62	129.8°	90.0°
N11	C57	C58	108.6°	90.0°
C57	N11	H107	125.5°	90.0°
C62	C57	C58	121.5°	90.0°
C57	C62	C61	120.7°	90.0°
C57	C62	H103	119.6°	90.0°
C57	C58	C59	119.9°	90.0°
C58	C59	O12	117.6°	90.0°
C58	C59	C60	120.6°	90.0°
O12	C59	C60	121.8°	90.0°
C59	O12	C63	115.7°	90.0°
C59	C60	C61	118.9°	90.0°
C59	C60	H101	120.5°	90.0°
C60	C61	C62	118.4°	90.0°
C61	C60	H101	120.6°	90.0°
C60	C61	H102	120.8°	90.0°
C62	C61	H102	120.8°	90.0°
C61	C62	H103	119.6°	90.0°
O12	C63	H104	109.5°	90.0°
O12	C63	H105	109.4°	90.0°
O12	C63	H106	109.5°	90.0°
O13	C64	N12	116.6°	90.0°
H94	C52	H95	109.5°	90.0°
H94	C52	H96	109.5°	90.0°
H95	C52	H96	109.5°	90.0°
H98	C54	H99	109.5°	90.0°
H104	C63	H105	109.5°	90.0°
H104	C63	H106	109.5°	90.0°
H105	C63	H106	109.5°	90.0°
C65	N12	H108	122.1°	90.0°
N12	C65	C66	105.7°	90.0°
N12	C65	C67	116.3°	90.0°
N12	C65	H109	107.0°	90.0°
C65	N12	C64	115.9°	90.0°
H108	N12	C64	122.1°	90.0°
C66	C65	C67	113.6°	90.0°
C66	C65	H109	107.8°	90.0°
C65	C66	O14	122.1°	90.0°
C65	C66	N13	117.2°	90.0°
C67	C65	H109	106.1°	90.0°
C65	C67	C68	110.5°	90.0°
C65	C67	C69	112.6°	90.0°
C65	C67	H110	107.1°	90.0°
O14	C66	N13	120.7°	90.0°
C68	C67	C69	111.9°	90.0°
C68	C67	H110	107.2°	90.0°
C67	C68	H111	109.5°	90.0°
C67	C68	H112	109.5°	90.0°
C67	C68	H113	109.5°	90.0°
C69	C67	H110	107.3°	90.0°
C67	C69	H114	109.5°	90.0°
C67	C69	H115	109.4°	90.0°
C67	C69	H116	109.5°	90.0°
H111	C68	H112	109.5°	90.0°
H111	C68	H113	109.5°	90.0°
H112	C68	H113	109.5°	90.0°
H114	C69	H115	109.5°	90.0°
H114	C69	H116	109.5°	90.0°
H115	C69	H116	109.5°	90.0°
N13	C70	C71	110.2°	90.0°
N13	C70	C72	114.0°	90.0°
C70	N13	H117	121.5°	90.0°
N13	C70	H118	109.5°	90.0°
C70	N13	C66	116.9°	90.0°
C71	C70	C72	104.5°	90.0°
C70	C71	O16	74.8°	90.0°
C71	C70	H118	110.2°	90.0°
C70	C71	N14	118.4°	90.0°
C70	C72	O15	110.4°	90.0°
C70	C72	C73	111.9°	90.0°
C72	C70	H118	108.3°	90.0°
C70	C72	H119	106.3°	90.0°
O15	C72	C73	112.5°	90.0°
O15	C72	H119	107.4°	90.0°
C72	O15	H121	109.5°	90.0°
C72	C73	C74	118.7°	90.0°
C72	C73	C75	121.9°	90.0°
C73	C72	H119	108.0°	90.0°
C74	C73	C75	119.4°	90.0°
C73	C74	C76	119.4°	90.0°
C73	C74	H122	120.3°	90.0°
C73	C75	C77	121.0°	90.0°
C73	C75	H123	119.5°	90.0°
C74	C76	C78	120.9°	90.0°
C76	C74	H122	120.3°	90.0°
C74	C76	H124	119.5°	90.0°
C75	C77	C78	119.2°	90.0°
C77	C75	H123	119.5°	90.0°
C75	C77	H125	120.4°	90.0°
C76	C78	C77	120.1°	90.0°
C78	C76	H124	119.6°	90.0°
C76	C78	H126	120.0°	90.0°
C78	C77	H125	120.4°	90.0°
C77	C78	H126	120.0°	90.0°
C71	O16	H120	90.0°	90.0°
O16	C71	N14	136.3°	90.0°
H117	N13	C66	121.6°	90.0°
C79	N14	H127	106.1°	90.0°
N14	C79	C80	106.4°	90.0°
N14	C79	C81	111.4°	90.0°
N14	C79	H128	109.2°	90.0°
C79	N14	C71	122.8°	90.0°
H127	N14	C71	106.1°	90.0°
C80	C79	C81	111.2°	90.0°
C80	C79	H128	110.2°	90.0°
C79	C80	O17	119.7°	90.0°
C79	C80	O5	115.7°	90.0°
C81	C79	H128	108.5°	90.0°
C79	C81	C82	108.1°	90.0°
C79	C81	C83	108.0°	90.0°
C79	C81	H129	110.2°	90.0°
O17	C80	O5	124.6°	90.0°
C82	C81	C83	109.9°	90.0°
C82	C81	H129	110.3°	90.0°
C81	C82	H130	109.5°	90.0°
C81	C82	H131	109.5°	90.0°
C81	C82	H132	109.5°	90.0°
C83	C81	H129	110.3°	90.0°
C81	C83	H133	109.5°	90.0°
C81	C83	H134	109.5°	90.0°
C81	C83	H135	109.4°	90.0°
H130	C82	H131	109.5°	90.0°
H130	C82	H132	109.5°	90.0°
H131	C82	H132	109.5°	90.0°
H133	C83	H134	109.5°	90.0°
H133	C83	H135	109.5°	90.0°
H134	C83	H135	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C5	N1	C4	C1	118.4°	90.0°
C5	N1	C1	C2	143.9°	90.0°
C5	N1	C1	C3	95.6°	90.0°
C5	N1	C1	H1	25.4°	90.0°
C5	N1	C4	H3	180.0°	90.0°
C5	N1	C4	H4	60.0°	90.0°
C5	N1	C4	H5	60.0°	90.0°
N1	C5	H6	H7	120.0°	90.0°
N1	C5	H6	H8	120.0°	90.0°
N1	C5	H7	H8	120.0°	90.0°
C4	N1	C1	C2	29.8°	90.0°
C4	N1	C1	C3	150.2°	90.0°
C4	N1	C1	H1	88.8°	90.0°
N1	C4	H3	H4	120.1°	90.0°
N1	C4	H3	H5	120.0°	90.0°
N1	C4	H4	H5	120.0°	90.0°
C4	N1	C5	H6	180.0°	90.0°
C4	N1	C5	H7	60.0°	90.0°
C4	N1	C5	H8	60.0°	90.0°
N1	C1	C2	C3	124.0°	90.0°
N1	C1	C2	H1	119.2°	90.0°
N1	C1	C3	H1	121.4°	90.0°
N1	C1	C2	O1	117.3°	90.0°
N1	C1	C3	C7	159.7°	90.0°
N1	C1	C3	C6	39.0°	90.0°
N1	C1	C3	H2	83.1°	90.0°
C1	N1	C4	H3	61.6°	90.0°
C1	N1	C4	H4	178.4°	90.0°
C1	N1	C4	H5	58.4°	90.0°
C1	N1	C5	H6	58.3°	90.0°
C1	N1	C5	H7	61.7°	90.0°
C1	N1	C5	H8	178.4°	90.0°
N1	C1	C2	N2	63.7°	90.0°
C2	C1	C3	H1	116.7°	90.0°
C1	C2	O1	N2	179.0°	90.0°
C2	C1	C3	C7	78.5°	90.0°
C2	C1	C3	C6	160.9°	90.0°
C2	C1	C3	H2	38.8°	90.0°
C1	C2	N2	C8	178.9°	90.0°
C1	C2	N2	H15	1.2°	90.0°
C3	C1	C2	O1	118.6°	90.0°
C1	C3	C7	C6	123.7°	90.0°
C1	C3	C7	H2	117.4°	90.0°
C1	C3	C6	H2	122.1°	90.0°
C1	C3	C6	H9	180.0°	90.0°
C1	C3	C6	H10	60.0°	90.0°
C1	C3	C6	H11	60.0°	90.0°
C1	C3	C7	H12	180.0°	90.0°
C1	C3	C7	H13	60.0°	90.0°
C1	C3	C7	H14	60.0°	90.0°
C3	C1	C2	N2	60.4°	90.0°
O1	C2	C1	H1	1.8°	90.0°
O1	C2	N2	C8	2.1°	90.0°
O1	C2	N2	H15	177.8°	90.0°
C7	C3	C6	H2	118.8°	90.0°
C7	C3	C1	H1	38.2°	90.0°
C7	C3	C6	H9	61.0°	90.0°
C7	C3	C6	H10	59.0°	90.0°
C7	C3	C6	H11	179.0°	90.0°
C3	C7	H12	H13	120.0°	90.0°
C3	C7	H12	H14	120.0°	90.0°
C3	C7	H13	H14	120.0°	90.0°
C6	C3	C1	H1	82.4°	90.0°
C3	C6	H9	H10	120.0°	90.0°
C3	C6	H9	H11	120.0°	90.0°
C3	C6	H10	H11	120.0°	90.0°
C6	C3	C7	H12	56.4°	90.0°
C6	C3	C7	H13	176.3°	90.0°
C6	C3	C7	H14	63.7°	90.0°
H1	C1	C3	H2	155.4°	90.0°
H1	C1	C2	N2	177.2°	90.0°
H2	C3	C6	H9	57.9°	90.0°
H2	C3	C6	H10	177.9°	90.0°
H2	C3	C6	H11	62.2°	90.0°
H2	C3	C7	H12	62.6°	90.0°
H2	C3	C7	H13	57.4°	90.0°
H2	C3	C7	H14	177.4°	90.0°
H3	C4	H4	H5	119.9°	90.0°
H6	C5	H7	H8	120.0°	90.0°
H9	C6	H10	H11	120.0°	90.0°
H12	C7	H13	H14	120.0°	90.0°
C8	N2	H15	C2	180.0°	90.0°
N2	C8	C9	C10	129.7°	90.0°
N2	C8	C9	H16	112.5°	90.0°
N2	C8	C10	H16	119.9°	90.0°
N2	C8	C9	O2	49.5°	90.0°
N2	C8	C10	C11	8.2°	90.0°
N2	C8	C10	C12	133.2°	90.0°
N2	C8	C10	H17	109.9°	90.0°
N2	C8	C9	N3	126.4°	90.0°
H15	N2	C8	C9	94.3°	90.0°
H15	N2	C8	C10	33.9°	90.0°
H15	N2	C8	H16	153.6°	90.0°
C9	C8	C10	H16	117.7°	90.0°
C8	C9	O2	N3	175.6°	90.0°
C9	C8	C10	C11	114.1°	90.0°
C9	C8	C10	C12	10.9°	90.0°
C9	C8	C10	H17	127.8°	90.0°
C8	C9	N3	C13	175.2°	90.0°
C8	C9	N3	C16	2.0°	90.0°
C9	C8	N2	C2	85.7°	90.0°
C10	C8	C9	O2	80.3°	90.0°
C8	C10	C11	C12	123.9°	90.0°
C8	C10	C11	H17	117.9°	90.0°
C8	C10	C12	H17	116.7°	90.0°
C8	C10	C11	H18	180.0°	90.0°
C8	C10	C11	H19	60.0°	90.0°
C8	C10	C11	H20	60.0°	90.0°
C8	C10	C12	H21	180.0°	90.0°
C8	C10	C12	H22	60.0°	90.0°
C8	C10	C12	H23	60.0°	90.0°
C10	C8	N2	C2	146.1°	90.0°
C10	C8	C9	N3	103.9°	90.0°
H16	C8	C9	O2	161.9°	90.0°
H16	C8	C10	C11	128.2°	90.0°
H16	C8	C10	C12	106.8°	90.0°
H16	C8	C10	H17	10.0°	90.0°
H16	C8	N2	C2	26.4°	90.0°
H16	C8	C9	N3	13.9°	90.0°
O2	C9	N3	C13	0.6°	90.0°
O2	C9	N3	C16	177.7°	90.0°
C11	C10	C12	H17	118.3°	90.0°
C10	C11	H18	H19	120.0°	90.0°
C10	C11	H18	H20	120.0°	90.0°
C10	C11	H19	H20	120.0°	90.0°
C11	C10	C12	H21	55.0°	90.0°
C11	C10	C12	H22	65.0°	90.0°
C11	C10	C12	H23	175.1°	90.0°
C12	C10	C11	H18	56.1°	90.0°
C12	C10	C11	H19	176.1°	90.0°
C12	C10	C11	H20	63.9°	90.0°
C10	C12	H21	H22	120.0°	90.0°
C10	C12	H21	H23	120.0°	90.0°
C10	C12	H22	H23	120.0°	90.0°
H17	C10	C11	H18	62.1°	90.0°
H17	C10	C11	H19	57.9°	90.0°
H17	C10	C11	H20	177.9°	90.0°
H17	C10	C12	H21	63.3°	90.0°
H17	C10	C12	H22	176.7°	90.0°
H17	C10	C12	H23	56.8°	90.0°
H18	C11	H19	H20	120.0°	90.0°
H21	C12	H22	H23	120.0°	90.0°
C19	C18	C15	H32	120.5°	90.0°
C19	C18	C15	H33	120.5°	90.0°
C19	C18	C15	C13	150.6°	90.0°
C19	C18	C15	C17	28.2°	90.0°
C19	C18	C15	H25	92.3°	90.0°
C19	C18	H32	H33	118.6°	90.0°
C18	C19	H34	H35	120.0°	90.0°
C18	C19	H34	H36	120.0°	90.0°
C18	C19	H35	H36	120.0°	90.0°
C18	C15	C13	C14	51.5°	90.0°
C18	C15	C13	C17	124.5°	90.0°
C18	C15	C13	H25	117.2°	90.0°
C18	C15	C13	N3	174.2°	90.0°
C18	C15	C17	H25	120.5°	90.0°
C18	C15	C13	H24	66.9°	90.0°
C18	C15	C17	H29	180.0°	90.0°
C18	C15	C17	H30	60.0°	90.0°
C18	C15	C17	H31	60.0°	90.0°
C15	C18	H32	H33	118.5°	90.0°
C15	C18	C19	H34	180.0°	90.0°
C15	C18	C19	H35	60.0°	90.0°
C15	C18	C19	H36	60.0°	90.0°
C14	C13	C15	N3	122.7°	90.0°
C14	C13	C15	H24	118.4°	90.0°
C14	C13	N3	H24	120.2°	90.0°
C13	C14	O3	N4	179.0°	90.0°
C14	C13	C15	C17	176.0°	90.0°
C14	C13	N3	C16	72.4°	90.0°
C14	C13	C15	H25	65.7°	90.0°
C13	C14	N4	C20	177.4°	90.0°
C13	C14	N4	H37	2.6°	90.0°
C14	C13	N3	C9	110.4°	90.0°
C15	C13	N3	H24	118.2°	90.0°
C15	C13	C14	O3	65.1°	90.0°
C13	C15	C17	H25	118.0°	90.0°
C15	C13	N3	C16	49.2°	90.0°
C13	C15	C17	H29	58.5°	90.0°
C13	C15	C17	H30	178.5°	90.0°
C13	C15	C17	H31	61.5°	90.0°
C13	C15	C18	H32	30.1°	90.0°
C13	C15	C18	H33	88.9°	90.0°
C15	C13	N3	C9	128.0°	90.0°
C15	C13	C14	N4	114.0°	90.0°
N3	C13	C14	O3	56.3°	90.0°
N3	C13	C15	C17	61.3°	90.0°
C13	N3	C16	C9	177.2°	90.0°
N3	C13	C15	H25	56.9°	90.0°
C13	N3	C16	H26	180.0°	90.0°
C13	N3	C16	H27	60.0°	90.0°
C13	N3	C16	H28	60.0°	90.0°
N3	C13	C14	N4	124.6°	90.0°
O3	C14	C13	H24	176.9°	90.0°
O3	C14	N4	C20	1.7°	90.0°
O3	C14	N4	H37	178.3°	90.0°
C17	C15	C13	H24	57.6°	90.0°
C15	C17	H29	H30	120.0°	90.0°
C15	C17	H29	H31	120.0°	90.0°
C15	C17	H30	H31	120.0°	90.0°
C17	C15	C18	H32	92.2°	90.0°
C17	C15	C18	H33	148.7°	90.0°
C16	N3	C13	H24	167.3°	90.0°
N3	C16	H26	H27	120.0°	90.0°
N3	C16	H26	H28	120.0°	90.0°
N3	C16	H27	H28	120.0°	90.0°
H24	C13	C15	H25	175.9°	90.0°
H24	C13	N3	C9	9.8°	90.0°
H24	C13	C14	N4	4.0°	90.0°
H25	C15	C17	H29	59.5°	90.0°
H25	C15	C17	H30	60.5°	90.0°
H25	C15	C17	H31	179.6°	90.0°
H25	C15	C18	H32	147.2°	90.0°
H25	C15	C18	H33	28.2°	90.0°
H26	C16	H27	H28	120.0°	90.0°
H26	C16	N3	C9	2.8°	90.0°
H27	C16	N3	C9	122.8°	90.0°
H28	C16	N3	C9	117.2°	90.0°
H29	C17	H30	H31	120.0°	90.0°
H32	C18	C19	H34	59.5°	90.0°
H32	C18	C19	H35	60.5°	90.0°
H32	C18	C19	H36	179.6°	90.0°
H33	C18	C19	H34	59.6°	90.0°
H33	C18	C19	H35	179.6°	90.0°
H33	C18	C19	H36	60.5°	90.0°
H34	C19	H35	H36	120.0°	90.0°
C20	N4	H37	C14	180.0°	90.0°
N4	C20	C21	C22	120.7°	90.0°
N4	C20	C21	H38	116.5°	90.0°
N4	C20	C22	H38	117.0°	90.0°
N4	C20	C21	O4	38.8°	90.0°
N4	C20	C22	O5	68.2°	90.0°
N4	C20	C22	C23	54.3°	90.0°
N4	C20	C22	H39	170.6°	90.0°
N4	C20	C21	N5	140.4°	90.0°
H37	N4	C20	C21	61.2°	90.0°
H37	N4	C20	C22	65.3°	90.0°
H37	N4	C20	H38	178.2°	90.0°
C21	C20	C22	H38	123.5°	90.0°
C20	C21	O4	N5	179.2°	90.0°
C21	C20	C22	O5	51.3°	90.0°
C21	C20	C22	C23	173.8°	90.0°
C21	C20	C22	H39	69.9°	90.0°
C20	C21	N5	C28	1.3°	90.0°
C20	C21	N5	C25	178.7°	90.0°
C21	C20	N4	C14	118.7°	90.0°
C22	C20	C21	O4	82.0°	90.0°
C20	C22	O5	C23	121.7°	90.0°
C20	C22	O5	H39	120.6°	90.0°
C20	C22	C23	H39	116.3°	90.0°
C20	C22	C23	H40	180.0°	90.0°
C20	C22	C23	H41	60.0°	90.0°
C20	C22	C23	H42	60.0°	90.0°
C22	C20	N4	C14	114.7°	90.0°
C22	C20	C21	N5	98.9°	90.0°
C20	C22	O5	C80	92.4°	90.0°
H38	C20	C21	O4	155.3°	90.0°
H38	C20	C22	O5	174.8°	90.0°
H38	C20	C22	C23	62.7°	90.0°
H38	C20	C22	H39	53.6°	90.0°
H38	C20	N4	C14	1.8°	90.0°
H38	C20	C21	N5	23.9°	90.0°
O4	C21	N5	C28	179.5°	90.0°
O4	C21	N5	C25	0.5°	90.0°
O5	C22	C23	H39	118.4°	90.0°
O5	C22	C23	H40	54.7°	90.0°
O5	C22	C23	H41	174.7°	90.0°
O5	C22	C23	H42	65.3°	90.0°
C22	O5	C80	C79	170.5°	90.0°
C22	O5	C80	O17	10.6°	90.0°
C22	C23	H40	H41	120.0°	90.0°
C22	C23	H40	H42	120.0°	90.0°
C22	C23	H41	H42	120.0°	90.0°
C23	C22	O5	C80	145.9°	90.0°
H39	C22	C23	H40	63.7°	90.0°
H39	C22	C23	H41	56.3°	90.0°
H39	C22	C23	H42	176.3°	90.0°
H39	C22	O5	C80	28.2°	90.0°
H40	C23	H41	H42	120.0°	90.0°
C28	N5	C25	C21	180.0°	90.0°
C28	N5	C25	C24	64.2°	90.0°
C28	N5	C25	C26	58.3°	90.0°
C28	N5	C25	H44	173.5°	90.0°
N5	C28	H49	H50	120.0°	90.0°
N5	C28	H49	H51	120.0°	90.0°
N5	C28	H50	H51	120.0°	90.0°
N5	C25	C24	O6	155.2°	90.0°
N5	C25	C26	O7	45.1°	90.0°
N5	C25	C24	C26	121.4°	90.0°
N5	C25	C24	H44	121.4°	90.0°
N5	C25	C26	H44	115.4°	90.0°
N5	C25	C26	C27	163.8°	90.0°
N5	C25	C26	H45	75.3°	90.0°
C25	N5	C28	H49	180.0°	90.0°
C25	N5	C28	H50	60.0°	90.0°
C25	N5	C28	H51	60.0°	90.0°
N5	C25	C24	N6	29.5°	90.0°
O6	C24	C25	N6	175.3°	90.0°
O6	C24	C25	C26	33.7°	90.0°
O6	C24	C25	H44	83.5°	90.0°
O6	C24	N6	C29	0.8°	90.0°
O6	C24	N6	H52	179.2°	90.0°
O7	C26	C25	C24	171.3°	90.0°
O7	C26	C25	C27	118.6°	90.0°
O7	C26	C25	H45	120.4°	90.0°
O7	C26	C25	H44	70.2°	90.0°
O7	C26	C27	H45	120.1°	90.0°
O7	C26	C27	H46	180.0°	90.0°
O7	C26	C27	H47	60.0°	90.0°
O7	C26	C27	H48	60.0°	90.0°
H43	O7	C26	C25	180.0°	90.0°
H43	O7	C26	C27	58.7°	90.0°
H43	O7	C26	H45	60.5°	90.0°
C24	C25	C26	H44	118.5°	90.0°
C24	C25	C26	C27	70.1°	90.0°
C24	C25	C26	H45	50.9°	90.0°
C25	C24	N6	C29	174.7°	90.0°
C25	C24	N6	H52	5.3°	90.0°
C24	C25	N5	C21	115.9°	90.0°
C25	C26	C27	H45	120.8°	90.0°
C25	C26	C27	H46	60.8°	90.0°
C25	C26	C27	H47	59.1°	90.0°
C25	C26	C27	H48	179.1°	90.0°
C26	C25	N5	C21	121.6°	90.0°
C26	C25	C24	N6	151.0°	90.0°
H44	C25	C26	C27	48.4°	90.0°
H44	C25	C26	H45	169.3°	90.0°
H44	C25	N5	C21	6.4°	90.0°
H44	C25	C24	N6	91.8°	90.0°
C26	C27	H46	H47	120.0°	90.0°
C26	C27	H46	H48	120.0°	90.0°
C26	C27	H47	H48	120.0°	90.0°
H45	C26	C27	H46	59.9°	90.0°
H45	C26	C27	H47	179.9°	90.0°
H45	C26	C27	H48	60.1°	90.0°
H46	C27	H47	H48	120.0°	90.0°
H49	C28	H50	H51	120.0°	90.0°
H49	C28	N5	C21	0.1°	90.0°
H50	C28	N5	C21	120.0°	90.0°
H51	C28	N5	C21	119.9°	90.0°
C29	N6	H52	C24	180.0°	90.0°
N6	C29	C30	C31	116.8°	90.0°
N6	C29	C30	H53	121.3°	90.0°
N6	C29	C31	H53	118.9°	90.0°
N6	C29	C30	O8	44.6°	90.0°
N6	C29	C31	C32	172.7°	90.0°
N6	C29	C31	C33	52.8°	90.0°
N6	C29	C31	H54	65.6°	90.0°
N6	C29	C30	N7	132.5°	90.0°
H52	N6	C29	C30	100.5°	90.0°
H52	N6	C29	C31	19.0°	90.0°
H52	N6	C29	H53	137.5°	90.0°
C30	C29	C31	H53	122.9°	90.0°
C29	C30	O8	N7	177.3°	90.0°
C30	C29	C31	C32	69.1°	90.0°
C30	C29	C31	C33	171.0°	90.0°
C30	C29	C31	H54	52.6°	90.0°
C29	C30	N7	C34	2.4°	90.0°
C29	C30	N7	C35	179.2°	90.0°
C30	C29	N6	C24	79.4°	90.0°
C31	C29	C30	O8	72.3°	90.0°
C29	C31	C32	C33	117.6°	90.0°
C29	C31	C32	H54	121.5°	90.0°
C29	C31	C33	H54	118.3°	90.0°
C29	C31	C32	H55	180.0°	90.0°
C29	C31	C32	H56	60.0°	90.0°
C29	C31	C32	H57	60.0°	90.0°
C29	C31	C33	H58	180.0°	90.0°
C29	C31	C33	H59	60.0°	90.0°
C29	C31	C33	H60	60.0°	90.0°
C31	C29	N6	C24	161.0°	90.0°
C31	C29	C30	N7	110.6°	90.0°
H53	C29	C30	O8	165.8°	90.0°
H53	C29	C31	C32	53.8°	90.0°
H53	C29	C31	C33	66.1°	90.0°
H53	C29	C31	H54	175.5°	90.0°
H53	C29	N6	C24	42.5°	90.0°
H53	C29	C30	N7	11.3°	90.0°
O8	C30	N7	C34	179.6°	90.0°
O8	C30	N7	C35	3.6°	90.0°
C32	C31	C33	H54	120.9°	90.0°
C31	C32	H55	H56	120.0°	90.0°
C31	C32	H55	H57	120.0°	90.0°
C31	C32	H56	H57	120.0°	90.0°
C32	C31	C33	H58	59.2°	90.0°
C32	C31	C33	H59	60.8°	90.0°
C32	C31	C33	H60	179.2°	90.0°
C33	C31	C32	H55	62.4°	90.0°
C33	C31	C32	H56	177.6°	90.0°
C33	C31	C32	H57	57.6°	90.0°
C31	C33	H58	H59	120.0°	90.0°
C31	C33	H58	H60	120.0°	90.0°
C31	C33	H59	H60	120.0°	90.0°
H54	C31	C32	H55	58.5°	90.0°
H54	C31	C32	H56	61.5°	90.0°
H54	C31	C32	H57	178.5°	90.0°
H54	C31	C33	H58	61.7°	90.0°
H54	C31	C33	H59	178.3°	90.0°
H54	C31	C33	H60	58.3°	90.0°
H55	C32	H56	H57	120.0°	90.0°
H58	C33	H59	H60	119.9°	90.0°
C34	N7	C35	C30	176.9°	90.0°
N7	C34	H61	H62	120.0°	90.0°
N7	C34	H61	H63	120.0°	90.0°
N7	C34	H62	H63	120.0°	90.0°
C34	N7	C35	C36	37.8°	90.0°
C34	N7	C35	C40	83.3°	90.0°
C34	N7	C35	H64	159.6°	90.0°
C35	N7	C34	H61	180.0°	90.0°
C35	N7	C34	H62	60.0°	90.0°
C35	N7	C34	H63	60.0°	90.0°
N7	C35	C36	C40	117.1°	90.0°
N7	C35	C36	H64	122.0°	90.0°
N7	C35	C40	H64	116.5°	90.0°
N7	C35	C36	C37	136.6°	90.0°
N7	C35	C36	H65	16.3°	90.0°
N7	C35	C36	H66	103.1°	90.0°
N7	C35	C40	O9	55.3°	90.0°
N7	C35	C40	N8	122.2°	90.0°
H61	C34	H62	H63	120.0°	90.0°
H61	C34	N7	C30	3.3°	90.0°
H62	C34	N7	C30	116.7°	90.0°
H63	C34	N7	C30	123.3°	90.0°
C36	C35	C40	H64	120.1°	90.0°
C35	C36	C37	H65	120.3°	90.0°
C35	C36	C37	H66	120.3°	90.0°
C35	C36	H65	H66	119.0°	90.0°
C35	C36	C37	C38	154.9°	90.0°
C35	C36	C37	C39	34.1°	90.0°
C35	C36	C37	H67	88.4°	90.0°
C36	C35	C40	O9	68.2°	90.0°
C36	C35	N7	C30	145.3°	90.0°
C36	C35	C40	N8	114.4°	90.0°
C40	C35	C36	C37	106.3°	90.0°
C40	C35	C36	H65	133.4°	90.0°
C40	C35	C36	H66	14.0°	90.0°
C35	C40	O9	N8	177.5°	90.0°
C35	C40	N8	C41	177.9°	90.0°
C35	C40	N8	H74	2.1°	90.0°
C40	C35	N7	C30	93.6°	90.0°
H64	C35	C36	C37	14.5°	90.0°
H64	C35	C36	H65	105.8°	90.0°
H64	C35	C36	H66	134.9°	90.0°
H64	C35	C40	O9	171.8°	90.0°
H64	C35	N7	C30	23.5°	90.0°
H64	C35	C40	N8	5.7°	90.0°
C37	C36	H65	H66	119.0°	90.0°
C36	C37	C38	C39	125.1°	90.0°
C36	C37	C38	H67	116.8°	90.0°
C36	C37	C39	H67	122.4°	90.0°
C36	C37	C38	H68	180.0°	90.0°
C36	C37	C38	H69	60.0°	90.0°
C36	C37	C38	H70	60.0°	90.0°
C36	C37	C39	H71	180.0°	90.0°
C36	C37	C39	H72	60.0°	90.0°
C36	C37	C39	H73	60.0°	90.0°
H65	C36	C37	C38	84.8°	90.0°
H65	C36	C37	C39	154.4°	90.0°
H65	C36	C37	H67	31.9°	90.0°
H66	C36	C37	C38	34.5°	90.0°
H66	C36	C37	C39	86.2°	90.0°
H66	C36	C37	H67	151.2°	90.0°
C38	C37	C39	H67	118.0°	90.0°
C37	C38	H68	H69	120.0°	90.0°
C37	C38	H68	H70	120.0°	90.0°
C37	C38	H69	H70	120.0°	90.0°
C38	C37	C39	H71	60.5°	90.0°
C38	C37	C39	H72	59.6°	90.0°
C38	C37	C39	H73	179.5°	90.0°
C39	C37	C38	H68	54.9°	90.0°
C39	C37	C38	H69	175.0°	90.0°
C39	C37	C38	H70	65.0°	90.0°
C37	C39	H71	H72	120.0°	90.0°
C37	C39	H71	H73	120.0°	90.0°
C37	C39	H72	H73	120.0°	90.0°
H67	C37	C38	H68	63.3°	90.0°
H67	C37	C38	H69	56.8°	90.0°
H67	C37	C38	H70	176.8°	90.0°
H67	C37	C39	H71	57.6°	90.0°
H67	C37	C39	H72	177.6°	90.0°
H67	C37	C39	H73	62.4°	90.0°
H68	C38	H69	H70	120.0°	90.0°
H71	C39	H72	H73	120.0°	90.0°
O9	C40	N8	C41	0.3°	90.0°
O9	C40	N8	H74	179.7°	90.0°
C41	N8	H74	C40	180.0°	90.0°
N8	C41	C42	C43	124.4°	90.0°
N8	C41	C42	H75	113.7°	90.0°
N8	C41	C43	H75	115.5°	90.0°
N8	C41	C42	O10	62.1°	90.0°
N8	C41	C43	C44	7.3°	90.0°
N8	C41	C43	C45	129.6°	90.0°
N8	C41	C43	H76	111.6°	90.0°
N8	C41	C42	N9	112.7°	90.0°
H74	N8	C41	C42	44.4°	90.0°
H74	N8	C41	C43	85.5°	90.0°
H74	N8	C41	H75	159.2°	90.0°
C42	C41	C43	H75	122.8°	90.0°
C41	C42	O10	N9	174.7°	90.0°
C42	C41	C43	C44	114.4°	90.0°
C42	C41	C43	C45	7.9°	90.0°
C42	C41	C43	H76	126.7°	90.0°
C41	C42	N9	C46	4.2°	90.0°
C41	C42	N9	C47	173.0°	90.0°
C42	C41	N8	C40	135.7°	90.0°
C43	C41	C42	O10	62.3°	90.0°
C41	C43	C44	C45	123.1°	90.0°
C41	C43	C44	H76	118.7°	90.0°
C41	C43	C45	H76	118.6°	90.0°
C41	C43	C44	H77	180.0°	90.0°
C41	C43	C44	H78	60.0°	90.0°
C41	C43	C44	H79	60.0°	90.0°
C41	C43	C45	H80	180.0°	90.0°
C41	C43	C45	H81	60.0°	90.0°
C41	C43	C45	H82	60.0°	90.0°
C43	C41	N8	C40	94.5°	90.0°
C43	C41	C42	N9	122.9°	90.0°
H75	C41	C42	O10	175.8°	90.0°
H75	C41	C43	C44	122.8°	90.0°
H75	C41	C43	C45	114.9°	90.0°
H75	C41	C43	H76	3.9°	90.0°
H75	C41	N8	C40	20.8°	90.0°
H75	C41	C42	N9	1.1°	90.0°
O10	C42	N9	C46	178.9°	90.0°
O10	C42	N9	C47	1.8°	90.0°
C44	C43	C45	H76	118.1°	90.0°
C43	C44	H77	H78	120.0°	90.0°
C43	C44	H77	H79	120.0°	90.0°
C43	C44	H78	H79	120.0°	90.0°
C44	C43	C45	H80	56.7°	90.0°
C44	C43	C45	H81	63.3°	90.0°
C44	C43	C45	H82	176.7°	90.0°
C45	C43	C44	H77	56.9°	90.0°
C45	C43	C44	H78	176.9°	90.0°
C45	C43	C44	H79	63.1°	90.0°
C43	C45	H80	H81	120.0°	90.0°
C43	C45	H80	H82	120.0°	90.0°
C43	C45	H81	H82	120.0°	90.0°
H76	C43	C44	H77	61.3°	90.0°
H76	C43	C44	H78	58.7°	90.0°
H76	C43	C44	H79	178.7°	90.0°
H76	C43	C45	H80	61.4°	90.0°
H76	C43	C45	H81	178.6°	90.0°
H76	C43	C45	H82	58.6°	90.0°
H77	C44	H78	H79	120.0°	90.0°
H80	C45	H81	H82	120.0°	90.0°
C46	N9	C47	C42	177.4°	90.0°
N9	C46	H83	H84	120.0°	90.0°
N9	C46	H83	H85	120.0°	90.0°
N9	C46	H84	H85	120.0°	90.0°
C46	N9	C47	C48	93.8°	90.0°
C46	N9	C47	C51	138.5°	90.0°
C46	N9	C47	H86	22.0°	90.0°
C47	N9	C46	H83	180.0°	90.0°
C47	N9	C46	H84	60.0°	90.0°
C47	N9	C46	H85	60.0°	90.0°
N9	C47	C48	C51	129.8°	90.0°
N9	C47	C48	H86	116.1°	90.0°
N9	C47	C51	H86	115.9°	90.0°
N9	C47	C48	C49	71.0°	90.0°
N9	C47	C48	C50	50.2°	90.0°
N9	C47	C48	H87	171.4°	90.0°
N9	C47	C51	O11	115.1°	90.0°
N9	C47	C51	N10	65.7°	90.0°
H83	C46	H84	H85	120.0°	90.0°
H83	C46	N9	C42	2.6°	90.0°
H84	C46	N9	C42	122.6°	90.0°
H85	C46	N9	C42	117.4°	90.0°
C48	C47	C51	H86	113.1°	90.0°
C47	C48	C49	C50	123.9°	90.0°
C47	C48	C49	H87	117.5°	90.0°
C47	C48	C50	H87	121.1°	90.0°
C47	C48	C49	H88	180.0°	90.0°
C47	C48	C49	H89	60.0°	90.0°
C47	C48	C49	H90	60.0°	90.0°
C47	C48	C50	H91	180.0°	90.0°
C47	C48	C50	H92	60.0°	90.0°
C47	C48	C50	H93	60.0°	90.0°
C48	C47	C51	O11	15.9°	90.0°
C48	C47	N9	C42	88.8°	90.0°
C48	C47	C51	N10	163.3°	90.0°
C51	C47	C48	C49	159.3°	90.0°
C51	C47	C48	C50	79.5°	90.0°
C51	C47	C48	H87	41.6°	90.0°
C47	C51	O11	N10	179.2°	90.0°
C47	C51	N10	C52	0.3°	90.0°
C47	C51	N10	C53	177.8°	90.0°
C51	C47	N9	C42	38.8°	90.0°
H86	C47	C48	C49	45.2°	90.0°
H86	C47	C48	C50	166.4°	90.0°
H86	C47	C48	H87	72.5°	90.0°
H86	C47	C51	O11	129.0°	90.0°
H86	C47	N9	C42	155.3°	90.0°
H86	C47	C51	N10	50.2°	90.0°
C49	C48	C50	H87	118.7°	90.0°
C48	C49	H88	H89	120.0°	90.0°
C48	C49	H88	H90	120.0°	90.0°
C48	C49	H89	H90	120.0°	90.0°
C49	C48	C50	H91	59.8°	90.0°
C49	C48	C50	H92	60.2°	90.0°
C49	C48	C50	H93	179.8°	90.0°
C50	C48	C49	H88	56.1°	90.0°
C50	C48	C49	H89	176.1°	90.0°
C50	C48	C49	H90	63.9°	90.0°
C48	C50	H91	H92	120.0°	90.0°
C48	C50	H91	H93	120.0°	90.0°
C48	C50	H92	H93	120.0°	90.0°
H87	C48	C49	H88	62.5°	90.0°
H87	C48	C49	H89	57.5°	90.0°
H87	C48	C49	H90	177.5°	90.0°
H87	C48	C50	H91	58.9°	90.0°
H87	C48	C50	H92	178.9°	90.0°
H87	C48	C50	H93	61.1°	90.0°
H88	C49	H89	H90	120.0°	90.0°
H91	C50	H92	H93	120.0°	90.0°
O11	C51	N10	C52	178.9°	90.0°
O11	C51	N10	C53	1.4°	90.0°
C52	N10	C53	C54	110.0°	90.0°
C52	N10	C53	C51	177.7°	90.0°
C52	N10	C53	C64	122.5°	90.0°
N10	C52	H94	H95	120.0°	90.0°
N10	C52	H94	H96	120.0°	90.0°
N10	C52	H95	H96	120.0°	90.0°
C52	N10	C53	H97	3.7°	90.0°
C54	C53	N10	C64	127.5°	90.0°
C54	C53	N10	H97	113.7°	90.0°
C54	C53	C64	H97	113.0°	90.0°
C53	C54	C55	H98	120.9°	90.0°
C53	C54	C55	H99	120.9°	90.0°
C53	C54	C55	C56	109.3°	90.0°
C53	C54	C55	C58	73.5°	90.0°
C54	C53	C64	O13	37.1°	90.0°
C53	C54	H98	H99	117.4°	90.0°
C54	C53	N10	C51	67.7°	90.0°
C54	C53	C64	N12	151.6°	90.0°
N10	C53	C64	H97	118.3°	90.0°
N10	C53	C54	C55	38.0°	90.0°
N10	C53	C64	O13	165.7°	90.0°
C53	N10	C52	H94	180.0°	90.0°
C53	N10	C52	H95	60.0°	90.0°
C53	N10	C52	H96	60.0°	90.0°
N10	C53	C54	H98	82.9°	90.0°
N10	C53	C54	H99	158.8°	90.0°
N10	C53	C64	N12	22.9°	90.0°
C64	C53	C54	C55	169.8°	90.0°
C53	C64	O13	N12	171.7°	90.0°
C64	C53	C54	H98	49.0°	90.0°
C64	C53	C54	H99	69.3°	90.0°
C53	C64	N12	C65	170.8°	90.0°
C53	C64	N12	H108	9.2°	90.0°
C64	C53	N10	C51	59.8°	90.0°
C54	C55	C56	C58	177.6°	90.0°
C54	C55	C56	N11	178.4°	90.0°
C54	C55	C58	C57	178.2°	90.0°
C54	C55	C58	C59	3.0°	90.0°
C55	C54	C53	H97	76.1°	90.0°
C55	C54	H98	H99	117.3°	90.0°
C54	C55	C56	H100	1.6°	90.0°
C55	C56	N11	H100	180.0°	90.0°
C55	C56	N11	C57	0.5°	90.0°
C56	C55	C58	C57	0.7°	90.0°
C56	C55	C58	C59	179.5°	90.0°
C56	C55	C54	H98	11.5°	90.0°
C56	C55	C54	H99	129.8°	90.0°
C55	C56	N11	H107	179.5°	90.0°
C58	C55	C56	N11	0.8°	90.0°
C55	C58	C57	N11	0.4°	90.0°
C55	C58	C57	C62	179.2°	90.0°
C55	C58	C57	C59	179.0°	90.0°
C55	C58	C59	O12	0.9°	90.0°
C55	C58	C59	C60	178.7°	90.0°
C58	C55	C54	H98	165.7°	90.0°
C58	C55	C54	H99	47.4°	90.0°
C58	C55	C56	H100	179.2°	90.0°
C56	N11	C57	H107	180.0°	90.0°
C56	N11	C57	C62	179.6°	90.0°
C56	N11	C57	C58	0.0°	90.0°
N11	C57	C62	C58	179.6°	90.0°
N11	C57	C58	C59	179.4°	90.0°
N11	C57	C62	C61	179.8°	90.0°
C57	N11	C56	H100	179.5°	90.0°
N11	C57	C62	H103	0.2°	90.0°
C62	C57	C58	C59	0.2°	90.0°
C57	C62	C61	C60	0.7°	90.0°
C57	C62	C61	H103	180.0°	90.0°
C57	C62	C61	H102	179.3°	90.0°
C62	C57	N11	H107	0.4°	90.0°
C57	C58	C59	O12	179.5°	90.0°
C57	C58	C59	C60	0.1°	90.0°
C58	C57	C62	C61	0.2°	90.0°
C58	C57	C62	H103	179.8°	90.0°
C58	C57	N11	H107	180.0°	90.0°
C58	C59	O12	C60	179.6°	90.0°
C58	C59	C60	C61	0.4°	90.0°
C58	C59	O12	C63	153.0°	90.0°
C58	C59	C60	H101	179.6°	90.0°
O12	C59	C60	C61	180.0°	90.0°
O12	C59	C60	H101	0.0°	90.0°
C59	O12	C63	H104	180.0°	90.0°
C59	O12	C63	H105	60.0°	90.0°
C59	O12	C63	H106	60.0°	90.0°
C59	C60	C61	H101	180.0°	90.0°
C59	C60	C61	C62	0.8°	90.0°
C60	C59	O12	C63	26.6°	90.0°
C59	C60	C61	H102	179.2°	90.0°
C60	C61	C62	H102	180.0°	90.0°
C60	C61	C62	H103	179.3°	90.0°
C62	C61	C60	H101	179.2°	90.0°
O12	C63	H104	H105	120.0°	90.0°
O12	C63	H104	H106	120.0°	90.0°
O12	C63	H105	H106	120.0°	90.0°
O13	C64	C53	H97	75.9°	90.0°
O13	C64	N12	C65	1.0°	90.0°
O13	C64	N12	H108	179.0°	90.0°
H94	C52	H95	H96	120.0°	90.0°
H94	C52	N10	C51	2.4°	90.0°
H95	C52	N10	C51	117.7°	90.0°
H96	C52	N10	C51	122.4°	90.0°
H97	C53	C54	H98	163.0°	90.0°
H97	C53	C54	H99	44.7°	90.0°
H97	C53	N10	C51	178.6°	90.0°
H97	C53	C64	N12	95.4°	90.0°
H100	C56	N11	H107	0.5°	90.0°
H101	C60	C61	H102	0.8°	90.0°
H102	C61	C62	H103	0.7°	90.0°
H104	C63	H105	H106	120.0°	90.0°
C65	N12	H108	C64	180.0°	90.0°
N12	C65	C66	C67	128.7°	90.0°
N12	C65	C66	H109	114.1°	90.0°
N12	C65	C67	H109	118.8°	90.0°
N12	C65	C66	O14	33.7°	90.0°
N12	C65	C67	C68	8.4°	90.0°
N12	C65	C67	C69	117.6°	90.0°
N12	C65	C67	H110	124.8°	90.0°
N12	C65	C66	N13	145.6°	90.0°
H108	N12	C65	C66	42.5°	90.0°
H108	N12	C65	C67	84.5°	90.0°
H108	N12	C65	H109	157.2°	90.0°
C66	C65	C67	H109	118.2°	90.0°
C65	C66	O14	N13	179.2°	90.0°
C66	C65	C67	C68	131.4°	90.0°
C66	C65	C67	C69	5.4°	90.0°
C66	C65	C67	H110	112.2°	90.0°
C65	C66	N13	C70	177.3°	90.0°
C65	C66	N13	H117	2.7°	90.0°
C66	C65	N12	C64	137.5°	90.0°
C67	C65	C66	O14	95.0°	90.0°
C65	C67	C68	C69	126.3°	90.0°
C65	C67	C68	H110	116.3°	90.0°
C65	C67	C69	H110	117.5°	90.0°
C65	C67	C68	H111	180.0°	90.0°
C65	C67	C68	H112	60.0°	90.0°
C65	C67	C68	H113	60.0°	90.0°
C65	C67	C69	H114	180.0°	90.0°
C65	C67	C69	H115	60.0°	90.0°
C65	C67	C69	H116	60.0°	90.0°
C67	C65	N12	C64	95.5°	90.0°
C67	C65	C66	N13	85.8°	90.0°
H109	C65	C66	O14	147.8°	90.0°
H109	C65	C67	C68	110.4°	90.0°
H109	C65	C67	C69	123.6°	90.0°
H109	C65	C67	H110	6.0°	90.0°
H109	C65	N12	C64	22.8°	90.0°
H109	C65	C66	N13	31.4°	90.0°
O14	C66	N13	C70	3.5°	90.0°
O14	C66	N13	H117	176.5°	90.0°
C68	C67	C69	H110	117.3°	90.0°
C67	C68	H111	H112	120.0°	90.0°
C67	C68	H111	H113	120.0°	90.0°
C67	C68	H112	H113	120.0°	90.0°
C68	C67	C69	H114	54.8°	90.0°
C68	C67	C69	H115	65.2°	90.0°
C68	C67	C69	H116	174.8°	90.0°
C69	C67	C68	H111	53.7°	90.0°
C69	C67	C68	H112	173.7°	90.0°
C69	C67	C68	H113	66.3°	90.0°
C67	C69	H114	H115	120.0°	90.0°
C67	C69	H114	H116	120.0°	90.0°
C67	C69	H115	H116	120.0°	90.0°
H110	C67	C68	H111	63.7°	90.0°
H110	C67	C68	H112	56.3°	90.0°
H110	C67	C68	H113	176.3°	90.0°
H110	C67	C69	H114	62.5°	90.0°
H110	C67	C69	H115	177.5°	90.0°
H110	C67	C69	H116	57.5°	90.0°
H111	C68	H112	H113	120.0°	90.0°
H114	C69	H115	H116	120.0°	90.0°
N13	C70	C71	C72	122.8°	90.0°
N13	C70	C71	H118	120.9°	90.0°
N13	C70	C72	H118	122.2°	90.0°
N13	C70	C72	O15	38.5°	90.0°
N13	C70	C72	C73	87.7°	90.0°
N13	C70	C71	O16	97.7°	90.0°
C70	N13	H117	C66	180.0°	90.0°
N13	C70	C72	H119	154.6°	90.0°
N13	C70	C71	N14	127.5°	90.0°
C71	C70	C72	H118	117.5°	90.0°
C71	C70	C72	O15	81.8°	90.0°
C71	C70	C72	C73	152.0°	90.0°
C70	C71	O16	N14	115.4°	90.0°
C71	C70	N13	H117	85.2°	90.0°
C71	C70	C72	H119	34.3°	90.0°
C70	C71	O16	H120	90.0°	90.0°
C70	C71	N14	C79	174.4°	90.0°
C70	C71	N14	H127	52.6°	90.0°
C71	C70	N13	C66	94.8°	90.0°
C70	C72	O15	C73	125.8°	90.0°
C70	C72	O15	H119	115.5°	90.0°
C70	C72	C73	H119	116.6°	90.0°
C70	C72	C73	C74	65.2°	90.0°
C70	C72	C73	C75	116.4°	90.0°
C72	C70	C71	O16	25.1°	90.0°
C72	C70	N13	H117	31.9°	90.0°
C70	C72	O15	H121	180.0°	90.0°
C72	C70	N13	C66	148.1°	90.0°
C72	C70	C71	N14	109.7°	90.0°
O15	C72	C73	H119	118.3°	90.0°
O15	C72	C73	C74	169.8°	90.0°
O15	C72	C73	C75	8.6°	90.0°
O15	C72	C70	H118	160.7°	90.0°
C72	C73	C74	C75	178.5°	90.0°
C72	C73	C74	C76	178.6°	90.0°
C72	C73	C75	C77	179.1°	90.0°
C73	C72	C70	H118	34.5°	90.0°
C73	C72	O15	H121	54.2°	90.0°
C72	C73	C74	H122	1.4°	90.0°
C72	C73	C75	H123	0.9°	90.0°
C73	C74	C76	H122	180.0°	90.0°
C74	C73	C75	C77	0.7°	90.0°
C73	C74	C76	C78	0.6°	90.0°
C74	C73	C72	H119	51.4°	90.0°
C74	C73	C75	H123	179.3°	90.0°
C73	C74	C76	H124	179.4°	90.0°
C75	C73	C74	C76	0.1°	90.0°
C73	C75	C77	H123	180.0°	90.0°
C73	C75	C77	C78	0.5°	90.0°
C75	C73	C72	H119	127.0°	90.0°
C75	C73	C74	H122	179.9°	90.0°
C73	C75	C77	H125	179.5°	90.0°
C74	C76	C78	H124	180.0°	90.0°
C74	C76	C78	C77	0.8°	90.0°
C74	C76	C78	H126	179.2°	90.0°
C75	C77	C78	C76	0.2°	90.0°
C75	C77	C78	H125	180.0°	90.0°
C75	C77	C78	H126	179.8°	90.0°
C76	C78	C77	H126	180.0°	90.0°
C78	C76	C74	H122	179.4°	90.0°
C76	C78	C77	H125	179.8°	90.0°
C78	C77	C75	H123	179.5°	90.0°
C77	C78	C76	H124	179.2°	90.0°
O16	C71	C70	H118	141.3°	90.0°
O16	C71	N14	C79	76.7°	90.0°
O16	C71	N14	H127	45.1°	90.0°
H117	N13	C70	H118	153.5°	90.0°
H118	C70	C72	H119	83.1°	90.0°
H118	C70	N13	C66	26.6°	90.0°
H118	C70	C71	N14	6.5°	90.0°
H119	C72	O15	H121	64.5°	90.0°
H122	C74	C76	H124	0.6°	90.0°
H123	C75	C77	H125	0.5°	90.0°
H124	C76	C78	H126	0.8°	90.0°
H125	C77	C78	H126	0.2°	90.0°
H120	O16	C71	N14	90.0°	90.0°
C79	N14	H127	C71	132.0°	90.0°
N14	C79	C80	C81	121.4°	90.0°
N14	C79	C80	H128	118.3°	90.0°
N14	C79	C81	H128	120.2°	90.0°
N14	C79	C80	O17	54.4°	90.0°
N14	C79	C81	C82	168.9°	90.0°
N14	C79	C81	C83	72.2°	90.0°
N14	C79	C81	H129	48.3°	90.0°
N14	C79	C80	O5	124.6°	90.0°
H127	N14	C79	C80	9.6°	90.0°
H127	N14	C79	C81	111.7°	90.0°
H127	N14	C79	H128	128.5°	90.0°
C80	C79	C81	H128	121.3°	90.0°
C79	C80	O17	O5	178.9°	90.0°
C80	C79	C81	C82	50.5°	90.0°
C80	C79	C81	C83	169.4°	90.0°
C80	C79	C81	H129	70.1°	90.0°
C80	C79	N14	C71	112.3°	90.0°
C81	C79	C80	O17	67.0°	90.0°
C79	C81	C82	C83	117.6°	90.0°
C79	C81	C82	H129	120.6°	90.0°
C79	C81	C83	H129	120.5°	90.0°
C79	C81	C82	H130	180.0°	90.0°
C79	C81	C82	H131	60.0°	90.0°
C79	C81	C82	H132	60.0°	90.0°
C79	C81	C83	H133	180.0°	90.0°
C79	C81	C83	H134	60.0°	90.0°
C79	C81	C83	H135	60.0°	90.0°
C81	C79	C80	O5	114.0°	90.0°
C81	C79	N14	C71	126.5°	90.0°
H128	C79	C80	O17	172.7°	90.0°
H128	C79	C81	C82	70.8°	90.0°
H128	C79	C81	C83	48.0°	90.0°
H128	C79	C81	H129	168.6°	90.0°
H128	C79	C80	O5	6.3°	90.0°
H128	C79	N14	C71	6.7°	90.0°
C82	C81	C83	H129	121.8°	90.0°
C81	C82	H130	H131	120.0°	90.0°
C81	C82	H130	H132	120.0°	90.0°
C81	C82	H131	H132	120.0°	90.0°
C82	C81	C83	H133	62.3°	90.0°
C82	C81	C83	H134	57.7°	90.0°
C82	C81	C83	H135	177.7°	90.0°
C83	C81	C82	H130	62.4°	90.0°
C83	C81	C82	H131	177.6°	90.0°
C83	C81	C82	H132	57.7°	90.0°
C81	C83	H133	H134	120.0°	90.0°
C81	C83	H133	H135	120.0°	90.0°
C81	C83	H134	H135	120.0°	90.0°
H129	C81	C82	H130	59.5°	90.0°
H129	C81	C82	H131	60.5°	90.0°
H129	C81	C82	H132	179.5°	90.0°
H129	C81	C83	H133	59.5°	90.0°
H129	C81	C83	H134	179.5°	90.0°
H129	C81	C83	H135	60.5°	90.0°
H130	C82	H131	H132	120.0°	90.0°
H133	C83	H134	H135	120.0°	90.0°

Release date:	2020-12-30
Last modified:	2023-11-03
Processing site:	PDBE