PRD_001187

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	doub	0.00Å	1.22Å
C1	C2	sing	0.00Å	1.51Å
C2	H1	sing	0.00Å	1.10Å
C2	H2	sing	0.00Å	1.10Å
C2	H3	sing	0.00Å	1.10Å
N1	C3	sing	0.00Å	1.46Å
N1	H4	sing	0.00Å	1.00Å
C3	C4	sing	0.00Å	1.53Å
C3	C5	sing	0.00Å	1.53Å
C3	H5	sing	0.00Å	1.10Å
C4	O2	doub	0.00Å	1.23Å
C5	C6	sing	0.00Å	1.52Å
C5	H6	sing	0.00Å	1.10Å
C5	H7	sing	0.00Å	1.10Å
C6	C7	sing	0.00Å	1.52Å
C6	H8	sing	0.00Å	1.10Å
C6	H9	sing	0.00Å	1.10Å
C7	C8	sing	0.00Å	1.52Å
C7	H10	sing	0.00Å	1.10Å
C7	H11	sing	0.00Å	1.10Å
C8	N2	sing	0.00Å	1.49Å
C8	H12	sing	0.00Å	1.10Å
C8	H13	sing	0.00Å	1.10Å
N2	H14	sing	0.00Å	1.00Å
N2	H15	sing	0.00Å	1.00Å
N2	H16	sing	0.00Å	1.00Å
N3	C9	sing	0.00Å	1.47Å
N3	H17	sing	0.00Å	1.00Å
C9	C10	sing	0.00Å	1.53Å
C9	C11	sing	0.00Å	1.53Å
C9	H18	sing	0.00Å	1.10Å
C10	O3	doub	0.00Å	1.23Å
C11	C12	sing	0.00Å	1.52Å
C11	H19	sing	0.00Å	1.10Å
C11	H20	sing	0.00Å	1.10Å
C12	O4	doub	0.00Å	1.23Å
C12	N4	sing	0.00Å	1.33Å
N4	H21	sing	0.00Å	1.00Å
N4	H22	sing	0.00Å	1.00Å
N5	C13	sing	0.00Å	1.47Å
N5	H23	sing	0.00Å	1.00Å
C13	C14	sing	0.00Å	1.54Å
C13	C15	sing	0.00Å	1.55Å
C13	H24	sing	0.00Å	1.10Å
C14	O5	doub	0.00Å	1.24Å
C15	C16	sing	0.00Å	1.53Å
C15	C17	sing	0.00Å	1.53Å
C15	H25	sing	0.00Å	1.10Å
C16	C18	sing	0.00Å	1.53Å
C16	H26	sing	0.00Å	1.10Å
C16	H27	sing	0.00Å	1.10Å
C17	H28	sing	0.00Å	1.10Å
C17	H29	sing	0.00Å	1.10Å
C17	H30	sing	0.00Å	1.10Å
C18	H31	sing	0.00Å	1.10Å
C18	H32	sing	0.00Å	1.10Å
C18	H33	sing	0.00Å	1.10Å
N6	C19	sing	0.00Å	1.47Å
N6	C23	sing	0.00Å	1.47Å
C19	C20	sing	0.00Å	1.53Å
C19	C21	sing	0.00Å	1.53Å
C19	H34	sing	0.00Å	1.10Å
C20	O6	doub	0.00Å	1.23Å
C21	C22	sing	0.00Å	1.49Å
C21	H35	sing	0.00Å	1.10Å
C21	H36	sing	0.00Å	1.10Å
C22	C23	sing	0.00Å	1.50Å
C22	H37	sing	0.00Å	1.10Å
C22	H38	sing	0.00Å	1.10Å
C23	H39	sing	0.00Å	1.10Å
C23	H40	sing	0.00Å	1.10Å
N7	C24	sing	0.00Å	1.46Å
N7	H41	sing	0.00Å	1.00Å
C24	C25	sing	0.00Å	1.52Å
C24	C26	sing	0.00Å	1.53Å
C24	H42	sing	0.00Å	1.10Å
C25	O7	doub	0.00Å	1.24Å
C26	O8	sing	0.00Å	1.42Å
C26	H43	sing	0.00Å	1.10Å
C26	H44	sing	0.00Å	1.10Å
O8	H45	sing	0.00Å	0.95Å
N8	C27	sing	0.00Å	1.46Å
N8	H46	sing	0.00Å	1.00Å
C27	C28	sing	0.00Å	1.53Å
C27	C29	sing	0.00Å	1.53Å
C27	H47	sing	0.00Å	1.10Å
C28	O9	doub	0.00Å	1.23Å
C29	C30	sing	0.00Å	1.54Å
C29	H48	sing	0.00Å	1.10Å
C29	H49	sing	0.00Å	1.10Å
C30	C31	sing	0.00Å	1.55Å
C30	C32	sing	0.00Å	1.54Å
C30	H50	sing	0.00Å	1.10Å
C31	H51	sing	0.00Å	1.10Å
C31	H52	sing	0.00Å	1.10Å
C31	H53	sing	0.00Å	1.10Å
C32	H54	sing	0.00Å	1.10Å
C32	H55	sing	0.00Å	1.10Å
C32	H56	sing	0.00Å	1.10Å
N9	C33	sing	0.00Å	1.46Å
N9	H57	sing	0.00Å	1.00Å
C33	C34	sing	0.00Å	1.53Å
C33	C35	sing	0.00Å	1.53Å
C33	H58	sing	0.00Å	1.10Å
C34	O10	doub	0.00Å	1.23Å
C35	C36	sing	0.00Å	1.53Å
C35	H59	sing	0.00Å	1.10Å
C35	H60	sing	0.00Å	1.10Å
C36	C37	sing	0.00Å	1.52Å
C36	C38	sing	0.00Å	1.50Å
C36	H61	sing	0.00Å	1.10Å
C37	H62	sing	0.00Å	1.10Å
C37	H63	sing	0.00Å	1.10Å
C37	H64	sing	0.00Å	1.10Å
C38	H65	sing	0.00Å	1.10Å
C38	H66	sing	0.00Å	1.10Å
C38	H67	sing	0.00Å	1.10Å
N10	C39	sing	0.00Å	1.46Å
N10	H68	sing	0.00Å	1.00Å
C39	C40	sing	0.00Å	1.52Å
C39	C41	sing	0.00Å	1.54Å
C39	H69	sing	0.00Å	1.10Å
C40	O11	doub	0.00Å	1.23Å
C41	C42	sing	0.00Å	1.55Å
C41	H70	sing	0.00Å	1.10Å
C41	H71	sing	0.00Å	1.10Å
C42	C43	sing	0.00Å	1.53Å
C42	H72	sing	0.00Å	1.10Å
C42	H73	sing	0.00Å	1.10Å
C43	N11	sing	0.00Å	1.45Å
C43	H74	sing	0.00Å	1.10Å
C43	H75	sing	0.00Å	1.10Å
N11	C44	sing	0.00Å	1.33Å
N11	H76	sing	0.00Å	1.00Å
C44	N12	sing	0.00Å	1.33Å
C44	N13	doub	0.00Å	1.33Å
N12	H77	sing	0.00Å	1.00Å
N12	H78	sing	0.00Å	1.00Å
N13	H79	sing	0.00Å	1.00Å
N13	H80	sing	0.00Å	1.00Å
N14	C45	sing	0.00Å	1.46Å
N14	H81	sing	0.00Å	1.00Å
C45	C46	sing	0.00Å	1.54Å
C45	C47	sing	0.00Å	1.54Å
C45	H82	sing	0.00Å	1.10Å
C46	O12	doub	0.00Å	1.24Å
C47	C48	sing	0.00Å	1.55Å
C47	H83	sing	0.00Å	1.10Å
C47	H84	sing	0.00Å	1.10Å
C48	C49	sing	0.00Å	1.53Å
C48	H85	sing	0.00Å	1.10Å
C48	H86	sing	0.00Å	1.10Å
C49	C50	sing	0.00Å	1.53Å
C49	H87	sing	0.00Å	1.10Å
C49	H88	sing	0.00Å	1.10Å
C50	H89	sing	0.00Å	1.08Å
N15	C51	sing	0.00Å	1.46Å
N15	H90	sing	0.00Å	1.00Å
C51	C52	sing	0.00Å	1.53Å
C51	C53	sing	0.00Å	1.53Å
C51	H91	sing	0.00Å	1.10Å
C52	O13	doub	0.00Å	1.23Å
C53	C54	sing	0.00Å	1.53Å
C53	H92	sing	0.00Å	1.10Å
C53	H93	sing	0.00Å	1.10Å
C54	C55	sing	0.00Å	1.52Å
C54	H94	sing	0.00Å	1.10Å
C54	H95	sing	0.00Å	1.10Å
C55	O14	doub	0.00Å	1.23Å
C55	N16	sing	0.00Å	1.33Å
N16	H96	sing	0.00Å	1.00Å
N16	H97	sing	0.00Å	1.00Å
N17	C56	sing	0.00Å	1.46Å
N17	H98	sing	0.00Å	1.00Å
C56	C57	sing	0.00Å	1.53Å
C56	C58	sing	0.00Å	1.53Å
C56	H99	sing	0.00Å	1.10Å
C57	O15	doub	0.00Å	1.23Å
C58	H100	sing	0.00Å	1.10Å
C58	H101	sing	0.00Å	1.10Å
C58	H102	sing	0.00Å	1.10Å
N18	C59	sing	0.00Å	1.47Å
N18	H103	sing	0.00Å	1.00Å
C59	C60	sing	0.00Å	1.53Å
C59	C61	sing	0.00Å	1.53Å
C59	H104	sing	0.00Å	1.10Å
C60	O16	doub	0.00Å	1.23Å
C61	C62	sing	0.00Å	1.50Å
C61	H105	sing	0.00Å	1.10Å
C61	H106	sing	0.00Å	1.10Å
C62	N19	sing	0.00Å	1.38Å	Aromatic
C62	C63	doub	0.00Å	1.35Å	Aromatic
N19	C64	doub	0.00Å	1.32Å	Aromatic
N19	H107	sing	0.00Å	1.00Å
C63	N20	sing	0.00Å	1.38Å	Aromatic
C63	H108	sing	0.00Å	1.08Å
C64	N20	sing	0.00Å	1.32Å	Aromatic
C64	H109	sing	0.00Å	1.08Å
N20	H110	sing	0.00Å	1.00Å
N21	C65	sing	0.00Å	1.46Å
N21	H111	sing	0.00Å	1.00Å
C65	C66	sing	0.00Å	1.53Å
C65	C67	sing	0.00Å	1.53Å
C65	H112	sing	0.00Å	1.10Å
C66	O17	doub	0.00Å	1.23Å
C67	C68	sing	0.00Å	1.53Å
C67	H113	sing	0.00Å	1.10Å
C67	H114	sing	0.00Å	1.10Å
C68	C69	sing	0.00Å	1.53Å
C68	H115	sing	0.00Å	1.10Å
C68	H116	sing	0.00Å	1.10Å
C69	C70	sing	0.00Å	1.53Å
C69	H117	sing	0.00Å	1.10Å
C69	H118	sing	0.00Å	1.10Å
C70	H119	sing	0.00Å	1.08Å
N22	C71	sing	0.00Å	1.46Å
N22	H120	sing	0.00Å	1.00Å
C71	C72	sing	0.00Å	1.53Å
C71	C73	sing	0.00Å	1.53Å
C71	H121	sing	0.00Å	1.10Å
C72	O18	doub	0.00Å	1.24Å
C73	C74	sing	0.00Å	1.53Å
C73	H122	sing	0.00Å	1.10Å
C73	H123	sing	0.00Å	1.10Å
C74	C75	sing	0.00Å	1.52Å
C74	H124	sing	0.00Å	1.10Å
C74	H125	sing	0.00Å	1.10Å
C75	N23	sing	0.00Å	1.47Å
C75	H126	sing	0.00Å	1.10Å
C75	H127	sing	0.00Å	1.10Å
N23	C76	sing	0.00Å	1.33Å
N23	H128	sing	0.00Å	1.00Å
C76	N24	sing	0.00Å	1.33Å
C76	N25	doub	0.00Å	1.33Å
N24	H129	sing	0.00Å	1.00Å
N24	H130	sing	0.00Å	1.00Å
N25	H131	sing	0.00Å	1.00Å
N25	H132	sing	0.00Å	1.00Å
N26	C77	sing	0.00Å	1.46Å
N26	H133	sing	0.00Å	1.00Å
C77	C78	sing	0.00Å	1.53Å
C77	C79	sing	0.00Å	1.53Å
C77	H134	sing	0.00Å	1.10Å
C78	O19	doub	0.00Å	1.24Å
C79	C80	sing	0.00Å	1.53Å
C79	H135	sing	0.00Å	1.10Å
C79	H136	sing	0.00Å	1.10Å
C80	C81	sing	0.00Å	1.53Å
C80	H137	sing	0.00Å	1.10Å
C80	H138	sing	0.00Å	1.10Å
C81	C82	sing	0.00Å	1.54Å
C81	H139	sing	0.00Å	1.10Å
C81	H140	sing	0.00Å	1.10Å
C82	N27	sing	0.00Å	1.50Å
C82	H141	sing	0.00Å	1.10Å
C82	H142	sing	0.00Å	1.10Å
N27	H143	sing	0.00Å	1.00Å
N27	H144	sing	0.00Å	1.00Å
N27	H145	sing	0.00Å	1.00Å
N28	C83	sing	0.00Å	1.47Å
N28	H146	sing	0.00Å	1.00Å
C83	C84	sing	0.00Å	1.52Å
C83	C85	sing	0.00Å	1.53Å
C83	H147	sing	0.00Å	1.10Å
C84	O20	doub	0.00Å	1.23Å
C85	C86	sing	0.00Å	1.53Å
C85	H148	sing	0.00Å	1.10Å
C85	H149	sing	0.00Å	1.10Å
C86	C87	sing	0.00Å	10.48Å
C86	H150	sing	0.00Å	1.10Å
C86	H151	sing	0.00Å	1.10Å
C87	C88	sing	0.00Å	0.00Å
C87	H152	sing	0.00Å	0.00Å
C87	H153	sing	0.00Å	0.00Å
C88	N29	sing	0.00Å	0.00Å
C88	H154	sing	0.00Å	0.00Å
C88	H155	sing	0.00Å	0.00Å
N29	H156	sing	0.00Å	0.00Å
N29	H157	sing	0.00Å	0.00Å
N29	H158	sing	0.00Å	0.00Å
N30	C89	sing	0.00Å	1.47Å
N30	H159	sing	0.00Å	1.00Å
C89	C90	sing	0.00Å	1.53Å
C89	C91	sing	0.00Å	1.54Å
C89	H160	sing	0.00Å	1.10Å
C90	O21	doub	0.00Å	1.23Å
C91	C92	sing	0.00Å	1.54Å
C91	H161	sing	0.00Å	1.10Å
C91	H162	sing	0.00Å	1.10Å
C92	S1	sing	0.00Å	1.83Å
C92	H163	sing	0.00Å	1.10Å
C92	H164	sing	0.00Å	1.10Å
S1	C93	sing	0.00Å	1.80Å
C93	H165	sing	0.00Å	1.10Å
C93	H166	sing	0.00Å	1.10Å
C93	H167	sing	0.00Å	1.10Å
N31	C94	sing	0.00Å	1.46Å
N31	H168	sing	0.00Å	1.00Å
C94	C95	sing	0.00Å	1.54Å
C94	C96	sing	0.00Å	1.54Å
C94	H169	sing	0.00Å	1.10Å
C95	O22	doub	0.00Å	1.23Å
C95	O23	sing	0.00Å	13.23Å
C96	C97	sing	0.00Å	1.53Å
C96	C98	sing	0.00Å	1.50Å
C96	H170	sing	0.00Å	1.10Å
C97	H171	sing	0.00Å	1.10Å
C97	H172	sing	0.00Å	1.10Å
C97	H173	sing	0.00Å	1.10Å
C98	H174	sing	0.00Å	1.10Å
C98	H175	sing	0.00Å	1.10Å
C98	H176	sing	0.00Å	1.10Å
O23	H177	sing	0.00Å	0.00Å
C1	N1	sing	0.00Å	1.33Å
C4	N3	sing	0.00Å	1.33Å
C10	N5	sing	0.00Å	1.33Å
C14	N6	sing	0.00Å	1.35Å
C20	N7	sing	0.00Å	1.33Å
C25	N8	sing	0.00Å	1.33Å
C28	N9	sing	0.00Å	1.33Å
C34	N10	sing	0.00Å	1.33Å
C40	N14	sing	0.00Å	1.33Å
C46	N15	sing	0.00Å	1.33Å
C50	C70	doub	0.00Å	1.34Å
C52	N17	sing	0.00Å	1.33Å
C57	N18	sing	0.00Å	1.33Å
C60	N21	sing	0.00Å	1.33Å
C66	N22	sing	0.00Å	1.33Å
C72	N26	sing	0.00Å	1.33Å
C78	N28	sing	0.00Å	1.33Å
C84	N30	sing	0.00Å	1.33Å
C90	N31	sing	0.00Å	1.27Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	120.6°	90.0°
O1	C1	N1	123.0°	90.0°
C1	C2	H1	109.5°	90.0°
C1	C2	H2	109.5°	90.0°
C1	C2	H3	109.5°	90.0°
C2	C1	N1	115.3°	90.0°
H1	C2	H2	109.5°	90.0°
H1	C2	H3	109.4°	90.0°
H2	C2	H3	109.5°	90.0°
C3	N1	H4	119.1°	90.0°
N1	C3	C4	111.2°	90.0°
N1	C3	C5	110.5°	90.0°
N1	C3	H5	108.9°	90.0°
C3	N1	C1	121.7°	90.0°
H4	N1	C1	119.2°	90.0°
C4	C3	C5	110.1°	90.0°
C4	C3	H5	108.0°	90.0°
C3	C4	O2	120.8°	90.0°
C3	C4	N3	116.2°	90.0°
C5	C3	H5	108.0°	90.0°
C3	C5	C6	114.1°	90.0°
C3	C5	H6	108.3°	90.0°
C3	C5	H7	108.3°	90.0°
O2	C4	N3	123.0°	90.0°
C6	C5	H6	108.3°	90.0°
C6	C5	H7	108.3°	90.0°
C5	C6	C7	111.3°	90.0°
C5	C6	H8	109.0°	90.0°
C5	C6	H9	109.0°	90.0°
H6	C5	H7	109.5°	90.0°
C7	C6	H8	109.0°	90.0°
C7	C6	H9	109.0°	90.0°
C6	C7	C8	111.3°	90.0°
C6	C7	H10	109.0°	90.0°
C6	C7	H11	109.0°	90.0°
H8	C6	H9	109.5°	90.0°
C8	C7	H10	109.0°	90.0°
C8	C7	H11	109.0°	90.0°
C7	C8	N2	111.9°	90.0°
C7	C8	H12	108.9°	90.0°
C7	C8	H13	108.9°	90.0°
H10	C7	H11	109.5°	90.0°
N2	C8	H12	108.9°	90.0°
N2	C8	H13	108.9°	90.0°
C8	N2	H14	109.5°	90.0°
C8	N2	H15	109.4°	90.0°
C8	N2	H16	109.5°	90.0°
H12	C8	H13	109.5°	90.0°
H14	N2	H15	109.5°	90.0°
H14	N2	H16	109.5°	90.0°
H15	N2	H16	109.5°	90.0°
C9	N3	H17	119.2°	90.0°
N3	C9	C10	113.0°	90.0°
N3	C9	C11	110.7°	90.0°
N3	C9	H18	108.2°	90.0°
C9	N3	C4	121.7°	90.0°
H17	N3	C4	119.1°	90.0°
C10	C9	C11	109.8°	90.0°
C10	C9	H18	107.5°	90.0°
C9	C10	O3	120.8°	90.0°
C9	C10	N5	116.7°	90.0°
C11	C9	H18	107.4°	90.0°
C9	C11	C12	112.8°	90.0°
C9	C11	H19	108.6°	90.0°
C9	C11	H20	108.6°	90.0°
O3	C10	N5	122.5°	90.0°
C12	C11	H19	108.6°	90.0°
C12	C11	H20	108.7°	90.0°
C11	C12	O4	121.1°	90.0°
C11	C12	N4	116.3°	90.0°
H19	C11	H20	109.5°	90.0°
O4	C12	N4	122.6°	90.0°
C12	N4	H21	120.0°	90.0°
C12	N4	H22	120.0°	90.0°
H21	N4	H22	120.0°	90.0°
C13	N5	H23	119.5°	90.0°
N5	C13	C14	115.1°	90.0°
N5	C13	C15	112.2°	90.0°
N5	C13	H24	106.3°	90.0°
C13	N5	C10	121.1°	90.0°
H23	N5	C10	119.5°	90.0°
C14	C13	C15	111.6°	90.0°
C14	C13	H24	105.4°	90.0°
C13	C14	O5	119.3°	90.0°
C13	C14	N6	118.5°	90.0°
C15	C13	H24	105.4°	90.0°
C13	C15	C16	110.4°	90.0°
C13	C15	C17	110.8°	90.0°
C13	C15	H25	108.0°	90.0°
O5	C14	N6	122.1°	90.0°
C16	C15	C17	110.9°	90.0°
C16	C15	H25	108.2°	90.0°
C15	C16	C18	114.2°	90.0°
C15	C16	H26	108.3°	90.0°
C15	C16	H27	108.3°	90.0°
C17	C15	H25	108.3°	90.0°
C15	C17	H28	109.5°	90.0°
C15	C17	H29	109.5°	90.0°
C15	C17	H30	109.5°	90.0°
C18	C16	H26	108.3°	90.0°
C18	C16	H27	108.3°	90.0°
C16	C18	H31	109.5°	90.0°
C16	C18	H32	109.5°	90.0°
C16	C18	H33	109.5°	90.0°
H26	C16	H27	109.5°	90.0°
H28	C17	H29	109.4°	90.0°
H28	C17	H30	109.5°	90.0°
H29	C17	H30	109.4°	90.0°
H31	C18	H32	109.4°	90.0°
H31	C18	H33	109.5°	90.0°
H32	C18	H33	109.5°	90.0°
C19	N6	C23	111.4°	90.0°
N6	C19	C20	113.5°	90.0°
N6	C19	C21	103.0°	90.0°
N6	C19	H34	110.5°	90.0°
C19	N6	C14	117.0°	90.0°
N6	C23	C22	103.2°	90.0°
N6	C23	H39	111.0°	90.0°
N6	C23	H40	111.0°	90.0°
C23	N6	C14	131.3°	90.0°
C20	C19	C21	110.2°	90.0°
C20	C19	H34	109.7°	90.0°
C19	C20	O6	118.5°	90.0°
C19	C20	N7	118.0°	90.0°
C21	C19	H34	109.7°	90.0°
C19	C21	C22	103.6°	90.0°
C19	C21	H35	110.9°	90.0°
C19	C21	H36	110.9°	90.0°
O6	C20	N7	123.5°	90.0°
C22	C21	H35	110.9°	90.0°
C22	C21	H36	110.9°	90.0°
C21	C22	C23	104.9°	90.0°
C21	C22	H37	110.6°	90.0°
C21	C22	H38	110.6°	90.0°
H35	C21	H36	109.5°	90.0°
C23	C22	H37	110.6°	90.0°
C23	C22	H38	110.6°	90.0°
C22	C23	H39	111.0°	90.0°
C22	C23	H40	111.0°	90.0°
H37	C22	H38	109.5°	90.0°
H39	C23	H40	109.5°	90.0°
C24	N7	H41	119.5°	90.0°
N7	C24	C25	110.9°	90.0°
N7	C24	C26	110.7°	90.0°
N7	C24	H42	108.9°	90.0°
C24	N7	C20	121.0°	90.0°
H41	N7	C20	119.5°	90.0°
C25	C24	C26	110.2°	90.0°
C25	C24	H42	108.1°	90.0°
C24	C25	O7	121.0°	90.0°
C24	C25	N8	116.5°	90.0°
C26	C24	H42	108.0°	90.0°
C24	C26	O8	109.9°	90.0°
C24	C26	H43	109.4°	90.0°
C24	C26	H44	109.4°	90.0°
O7	C25	N8	122.4°	90.0°
O8	C26	H43	109.3°	90.0°
O8	C26	H44	109.4°	90.0°
C26	O8	H45	109.5°	90.0°
H43	C26	H44	109.5°	90.0°
C27	N8	H46	120.3°	90.0°
N8	C27	C28	111.4°	90.0°
N8	C27	C29	111.6°	90.0°
N8	C27	H47	108.2°	90.0°
C27	N8	C25	119.3°	90.0°
H46	N8	C25	120.3°	90.0°
C28	C27	C29	110.7°	90.0°
C28	C27	H47	107.3°	90.0°
C27	C28	O9	120.3°	90.0°
C27	C28	N9	117.4°	90.0°
C29	C27	H47	107.3°	90.0°
C27	C29	C30	116.7°	90.0°
C27	C29	H48	107.7°	90.0°
C27	C29	H49	107.7°	90.0°
O9	C28	N9	122.3°	90.0°
C30	C29	H48	107.6°	90.0°
C30	C29	H49	107.6°	90.0°
C29	C30	C31	112.8°	90.0°
C29	C30	C32	110.8°	90.0°
C29	C30	H50	107.8°	90.0°
H48	C29	H49	109.5°	90.0°
C31	C30	C32	109.8°	90.0°
C31	C30	H50	107.7°	90.0°
C30	C31	H51	109.5°	90.0°
C30	C31	H52	109.4°	90.0°
C30	C31	H53	109.5°	90.0°
C32	C30	H50	107.7°	90.0°
C30	C32	H54	109.5°	90.0°
C30	C32	H55	109.5°	90.0°
C30	C32	H56	109.5°	90.0°
H51	C31	H52	109.4°	90.0°
H51	C31	H53	109.5°	90.0°
H52	C31	H53	109.5°	90.0°
H54	C32	H55	109.5°	90.0°
H54	C32	H56	109.5°	90.0°
H55	C32	H56	109.4°	90.0°
C33	N9	H57	120.1°	90.0°
N9	C33	C34	110.2°	90.0°
N9	C33	C35	111.7°	90.0°
N9	C33	H58	108.9°	90.0°
C33	N9	C28	119.8°	90.0°
H57	N9	C28	120.1°	90.0°
C34	C33	C35	109.9°	90.0°
C34	C33	H58	108.0°	90.0°
C33	C34	O10	120.0°	90.0°
C33	C34	N10	117.4°	90.0°
C35	C33	H58	108.0°	90.0°
C33	C35	C36	119.1°	90.0°
C33	C35	H59	107.0°	90.0°
C33	C35	H60	107.0°	90.0°
O10	C34	N10	122.7°	90.0°
C36	C35	H59	107.0°	90.0°
C36	C35	H60	107.0°	90.0°
C35	C36	C37	110.0°	90.0°
C35	C36	C38	111.0°	90.0°
C35	C36	H61	108.5°	90.0°
H59	C35	H60	109.4°	90.0°
C37	C36	C38	109.7°	90.0°
C37	C36	H61	108.6°	90.0°
C36	C37	H62	109.5°	90.0°
C36	C37	H63	109.5°	90.0°
C36	C37	H64	109.5°	90.0°
C38	C36	H61	108.8°	90.0°
C36	C38	H65	109.5°	90.0°
C36	C38	H66	109.5°	90.0°
C36	C38	H67	109.5°	90.0°
H62	C37	H63	109.5°	90.0°
H62	C37	H64	109.4°	90.0°
H63	C37	H64	109.5°	90.0°
H65	C38	H66	109.4°	90.0°
H65	C38	H67	109.5°	90.0°
H66	C38	H67	109.5°	90.0°
C39	N10	H68	119.7°	90.0°
N10	C39	C40	110.0°	90.0°
N10	C39	C41	112.0°	90.0°
N10	C39	H69	108.6°	90.0°
C39	N10	C34	120.5°	90.0°
H68	N10	C34	119.7°	90.0°
C40	C39	C41	110.7°	90.0°
C40	C39	H69	107.8°	90.0°
C39	C40	O11	120.8°	90.0°
C39	C40	N14	117.3°	90.0°
C41	C39	H69	107.6°	90.0°
C39	C41	C42	115.3°	90.0°
C39	C41	H70	108.0°	90.0°
C39	C41	H71	108.0°	90.0°
O11	C40	N14	122.0°	90.0°
C42	C41	H70	108.0°	90.0°
C42	C41	H71	108.0°	90.0°
C41	C42	C43	113.3°	90.0°
C41	C42	H72	108.5°	90.0°
C41	C42	H73	108.5°	90.0°
H70	C41	H71	109.5°	90.0°
C43	C42	H72	108.5°	90.0°
C43	C42	H73	108.5°	90.0°
C42	C43	N11	111.3°	90.0°
C42	C43	H74	109.0°	90.0°
C42	C43	H75	109.0°	90.0°
H72	C42	H73	109.5°	90.0°
N11	C43	H74	109.0°	90.0°
N11	C43	H75	109.0°	90.0°
C43	N11	C44	124.3°	90.0°
C43	N11	H76	117.8°	90.0°
H74	C43	H75	109.5°	90.0°
C44	N11	H76	117.9°	90.0°
N11	C44	N12	120.0°	90.0°
N11	C44	N13	119.7°	90.0°
N12	C44	N13	120.3°	90.0°
C44	N12	H77	120.0°	90.0°
C44	N12	H78	120.0°	90.0°
C44	N13	H79	120.0°	90.0°
C44	N13	H80	120.0°	90.0°
H77	N12	H78	120.0°	90.0°
H79	N13	H80	120.0°	90.0°
C45	N14	H81	120.3°	90.0°
N14	C45	C46	110.8°	90.0°
N14	C45	C47	111.6°	90.0°
N14	C45	H82	108.4°	90.0°
C45	N14	C40	119.4°	90.0°
H81	N14	C40	120.3°	90.0°
C46	C45	C47	111.0°	90.0°
C46	C45	H82	107.5°	90.0°
C45	C46	O12	120.6°	90.0°
C45	C46	N15	117.1°	90.0°
C47	C45	H82	107.4°	90.0°
C45	C47	C48	114.6°	90.0°
C45	C47	H83	108.2°	90.0°
C45	C47	H84	108.1°	90.0°
O12	C46	N15	122.3°	90.0°
C48	C47	H83	108.2°	90.0°
C48	C47	H84	108.2°	90.0°
C47	C48	C49	112.4°	90.0°
C47	C48	H85	108.7°	90.0°
C47	C48	H86	108.7°	90.0°
H83	C47	H84	109.5°	90.0°
C49	C48	H85	108.7°	90.0°
C49	C48	H86	108.7°	90.0°
C48	C49	C50	112.7°	90.0°
C48	C49	H87	108.6°	90.0°
C48	C49	H88	108.6°	90.0°
H85	C48	H86	109.5°	90.0°
C50	C49	H87	108.6°	90.0°
C50	C49	H88	108.7°	90.0°
C49	C50	H89	119.2°	90.0°
C49	C50	C70	121.7°	90.0°
H87	C49	H88	109.5°	90.0°
H89	C50	C70	119.2°	90.0°
C51	N15	H90	119.8°	90.0°
N15	C51	C52	110.1°	90.0°
N15	C51	C53	111.0°	90.0°
N15	C51	H91	108.8°	90.0°
C51	N15	C46	120.4°	90.0°
H90	N15	C46	119.8°	90.0°
C52	C51	C53	111.2°	90.0°
C52	C51	H91	107.9°	90.0°
C51	C52	O13	120.6°	90.0°
C51	C52	N17	116.3°	90.0°
C53	C51	H91	107.8°	90.0°
C51	C53	C54	112.6°	90.0°
C51	C53	H92	108.7°	90.0°
C51	C53	H93	108.7°	90.0°
O13	C52	N17	123.1°	90.0°
C54	C53	H92	108.7°	90.0°
C54	C53	H93	108.7°	90.0°
C53	C54	C55	113.1°	90.0°
C53	C54	H94	108.5°	90.0°
C53	C54	H95	108.5°	90.0°
H92	C53	H93	109.4°	90.0°
C55	C54	H94	108.6°	90.0°
C55	C54	H95	108.6°	90.0°
C54	C55	O14	120.9°	90.0°
C54	C55	N16	116.5°	90.0°
H94	C54	H95	109.5°	90.0°
O14	C55	N16	122.6°	90.0°
C55	N16	H96	120.0°	90.0°
C55	N16	H97	120.0°	90.0°
H96	N16	H97	120.0°	90.0°
C56	N17	H98	119.4°	90.0°
N17	C56	C57	110.9°	90.0°
N17	C56	C58	110.5°	90.0°
N17	C56	H99	108.8°	90.0°
C56	N17	C52	121.2°	90.0°
H98	N17	C52	119.4°	90.0°
C57	C56	C58	110.8°	90.0°
C57	C56	H99	107.8°	90.0°
C56	C57	O15	120.7°	90.0°
C56	C57	N18	117.6°	90.0°
C58	C56	H99	107.9°	90.0°
C56	C58	H100	109.5°	90.0°
C56	C58	H101	109.4°	90.0°
C56	C58	H102	109.4°	90.0°
O15	C57	N18	121.6°	90.0°
H100	C58	H101	109.5°	90.0°
H100	C58	H102	109.5°	90.0°
H101	C58	H102	109.5°	90.0°
C59	N18	H103	120.5°	90.0°
N18	C59	C60	113.1°	90.0°
N18	C59	C61	111.3°	90.0°
N18	C59	H104	107.2°	90.0°
C59	N18	C57	119.0°	90.0°
H103	N18	C57	120.5°	90.0°
C60	C59	C61	111.8°	90.0°
C60	C59	H104	106.5°	90.0°
C59	C60	O16	120.6°	90.0°
C59	C60	N21	117.0°	90.0°
C61	C59	H104	106.5°	90.0°
C59	C61	C62	112.8°	90.0°
C59	C61	H105	108.7°	90.0°
C59	C61	H106	108.6°	90.0°
O16	C60	N21	122.5°	90.0°
C62	C61	H105	108.6°	90.0°
C62	C61	H106	108.7°	90.0°
C61	C62	N19	122.3°	90.0°
C61	C62	C63	131.2°	90.0°
H105	C61	H106	109.4°	90.0°
N19	C62	C63	106.5°	90.0°
C62	N19	C64	109.1°	90.0°
C62	N19	H107	125.4°	90.0°
C62	C63	N20	107.0°	90.0°
C62	C63	H108	126.5°	90.0°
C64	N19	H107	125.4°	90.0°
N19	C64	N20	108.4°	90.0°
N19	C64	H109	125.8°	90.0°
N20	C63	H108	126.5°	90.0°
C63	N20	C64	109.0°	90.0°
C63	N20	H110	125.5°	90.0°
N20	C64	H109	125.8°	90.0°
C64	N20	H110	125.5°	90.0°
C65	N21	H111	119.7°	90.0°
N21	C65	C66	111.1°	90.0°
N21	C65	C67	110.3°	90.0°
N21	C65	H112	108.4°	90.0°
C65	N21	C60	120.6°	90.0°
H111	N21	C60	119.7°	90.0°
C66	C65	C67	111.9°	90.0°
C66	C65	H112	107.4°	90.0°
C65	C66	O17	120.5°	90.0°
C65	C66	N22	116.6°	90.0°
C67	C65	H112	107.5°	90.0°
C65	C67	C68	111.9°	90.0°
C65	C67	H113	108.8°	90.0°
C65	C67	H114	108.9°	90.0°
O17	C66	N22	122.9°	90.0°
C68	C67	H113	108.8°	90.0°
C68	C67	H114	108.9°	90.0°
C67	C68	C69	113.1°	90.0°
C67	C68	H115	108.6°	90.0°
C67	C68	H116	108.6°	90.0°
H113	C67	H114	109.5°	90.0°
C69	C68	H115	108.6°	90.0°
C69	C68	H116	108.5°	90.0°
C68	C69	C70	110.3°	90.0°
C68	C69	H117	109.3°	90.0°
C68	C69	H118	109.2°	90.0°
H115	C68	H116	109.5°	90.0°
C70	C69	H117	109.3°	90.0°
C70	C69	H118	109.3°	90.0°
C69	C70	H119	119.0°	90.0°
C69	C70	C50	122.0°	90.0°
H117	C69	H118	109.4°	90.0°
H119	C70	C50	119.0°	90.0°
C71	N22	H120	119.6°	90.0°
N22	C71	C72	110.6°	90.0°
N22	C71	C73	110.9°	90.0°
N22	C71	H121	108.5°	90.0°
C71	N22	C66	120.8°	90.0°
H120	N22	C66	119.6°	90.0°
C72	C71	C73	111.4°	90.0°
C72	C71	H121	107.7°	90.0°
C71	C72	O18	121.1°	90.0°
C71	C72	N26	115.9°	90.0°
C73	C71	H121	107.6°	90.0°
C71	C73	C74	112.3°	90.0°
C71	C73	H122	108.8°	90.0°
C71	C73	H123	108.7°	90.0°
O18	C72	N26	123.0°	90.0°
C74	C73	H122	108.7°	90.0°
C74	C73	H123	108.8°	90.0°
C73	C74	C75	113.3°	90.0°
C73	C74	H124	108.5°	90.0°
C73	C74	H125	108.5°	90.0°
H122	C73	H123	109.5°	90.0°
C75	C74	H124	108.5°	90.0°
C75	C74	H125	108.5°	90.0°
C74	C75	N23	110.7°	90.0°
C74	C75	H126	109.2°	90.0°
C74	C75	H127	109.2°	90.0°
H124	C74	H125	109.5°	90.0°
N23	C75	H126	109.2°	90.0°
N23	C75	H127	109.2°	90.0°
C75	N23	C76	124.1°	90.0°
C75	N23	H128	117.9°	90.0°
H126	C75	H127	109.5°	90.0°
C76	N23	H128	117.9°	90.0°
N23	C76	N24	120.3°	90.0°
N23	C76	N25	119.8°	90.0°
N24	C76	N25	119.9°	90.0°
C76	N24	H129	120.0°	90.0°
C76	N24	H130	120.0°	90.0°
C76	N25	H131	120.0°	90.0°
C76	N25	H132	120.0°	90.0°
H129	N24	H130	120.0°	90.0°
H131	N25	H132	120.0°	90.0°
C77	N26	H133	119.3°	90.0°
N26	C77	C78	110.8°	90.0°
N26	C77	C79	110.2°	90.0°
N26	C77	H134	109.5°	90.0°
C77	N26	C72	121.4°	90.0°
H133	N26	C72	119.3°	90.0°
C78	C77	C79	109.1°	90.0°
C78	C77	H134	108.7°	90.0°
C77	C78	O19	121.0°	90.0°
C77	C78	N28	116.3°	90.0°
C79	C77	H134	108.5°	90.0°
C77	C79	C80	114.9°	90.0°
C77	C79	H135	108.1°	90.0°
C77	C79	H136	108.1°	90.0°
O19	C78	N28	122.6°	90.0°
C80	C79	H135	108.1°	90.0°
C80	C79	H136	108.1°	90.0°
C79	C80	C81	110.7°	90.0°
C79	C80	H137	109.2°	90.0°
C79	C80	H138	109.2°	90.0°
H135	C79	H136	109.4°	90.0°
C81	C80	H137	109.2°	90.0°
C81	C80	H138	109.2°	90.0°
C80	C81	C82	109.6°	90.0°
C80	C81	H139	109.4°	90.0°
C80	C81	H140	109.4°	90.0°
H137	C80	H138	109.5°	90.0°
C82	C81	H139	109.4°	90.0°
C82	C81	H140	109.4°	90.0°
C81	C82	N27	116.0°	90.0°
C81	C82	H141	107.8°	90.0°
C81	C82	H142	107.8°	90.0°
H139	C81	H140	109.5°	90.0°
N27	C82	H141	107.8°	90.0°
N27	C82	H142	107.8°	90.0°
C82	N27	H143	109.5°	90.0°
C82	N27	H144	109.5°	90.0°
C82	N27	H145	109.5°	90.0°
H141	C82	H142	109.5°	90.0°
H143	N27	H144	109.4°	90.0°
H143	N27	H145	109.5°	90.0°
H144	N27	H145	109.5°	90.0°
C83	N28	H146	119.8°	90.0°
N28	C83	C84	112.6°	90.0°
N28	C83	C85	111.5°	90.0°
N28	C83	H147	108.0°	90.0°
C83	N28	C78	120.4°	90.0°
H146	N28	C78	119.8°	90.0°
C84	C83	C85	110.0°	90.0°
C84	C83	H147	107.3°	90.0°
C83	C84	O20	120.2°	90.0°
C83	C84	N30	116.7°	90.0°
C85	C83	H147	107.1°	90.0°
C83	C85	C86	113.9°	90.0°
C83	C85	H148	108.4°	90.0°
C83	C85	H149	108.4°	90.0°
O20	C84	N30	123.1°	90.0°
C86	C85	H148	108.3°	90.0°
C86	C85	H149	108.3°	90.0°
C85	C86	C87	110.1°	90.0°
C85	C86	H150	109.3°	90.0°
C85	C86	H151	109.3°	90.0°
H148	C85	H149	109.5°	90.0°
C87	C86	H150	109.3°	90.0°
C87	C86	H151	109.3°	90.0°
C86	C87	C88	90.0°	90.0°
C86	C87	H152	90.0°	90.0°
C86	C87	H153	90.0°	90.0°
H150	C86	H151	109.5°	90.0°
C88	C87	H152	90.0°	90.0°
C88	C87	H153	90.0°	90.0°
C87	C88	N29	90.0°	90.0°
C87	C88	H154	90.0°	90.0°
C87	C88	H155	90.0°	90.0°
H152	C87	H153	90.0°	90.0°
N29	C88	H154	90.0°	90.0°
N29	C88	H155	90.0°	90.0°
C88	N29	H156	90.0°	90.0°
C88	N29	H157	90.0°	90.0°
C88	N29	H158	90.0°	90.0°
H154	C88	H155	90.0°	90.0°
H156	N29	H157	90.0°	90.0°
H156	N29	H158	90.0°	90.0°
H157	N29	H158	90.0°	90.0°
C89	N30	H159	119.2°	90.0°
N30	C89	C90	111.9°	90.0°
N30	C89	C91	111.8°	90.0°
N30	C89	H160	108.1°	90.0°
C89	N30	C84	121.6°	90.0°
H159	N30	C84	119.2°	90.0°
C90	C89	C91	110.2°	90.0°
C90	C89	H160	107.3°	90.0°
C89	C90	O21	120.6°	90.0°
C89	C90	N31	119.9°	90.0°
C91	C89	H160	107.2°	90.0°
C89	C91	C92	114.9°	90.0°
C89	C91	H161	108.1°	90.0°
C89	C91	H162	108.1°	90.0°
O21	C90	N31	119.5°	90.0°
C92	C91	H161	108.1°	90.0°
C92	C91	H162	108.1°	90.0°
C91	C92	S1	117.7°	90.0°
C91	C92	H163	107.4°	90.0°
C91	C92	H164	107.4°	90.0°
H161	C91	H162	109.5°	90.0°
S1	C92	H163	107.4°	90.0°
S1	C92	H164	107.4°	90.0°
C92	S1	C93	100.1°	90.0°
H163	C92	H164	109.5°	90.0°
S1	C93	H165	109.5°	90.0°
S1	C93	H166	109.5°	90.0°
S1	C93	H167	109.5°	90.0°
H165	C93	H166	109.4°	90.0°
H165	C93	H167	109.4°	90.0°
H166	C93	H167	109.5°	90.0°
C94	N31	H168	118.5°	90.0°
N31	C94	C95	113.5°	90.0°
N31	C94	C96	111.5°	90.0°
N31	C94	H169	107.7°	90.0°
C94	N31	C90	123.0°	90.0°
H168	N31	C90	118.5°	90.0°
C95	C94	C96	110.1°	90.0°
C95	C94	H169	106.8°	90.0°
C94	C95	O22	121.2°	90.0°
C94	C95	O23	114.3°	90.0°
C96	C94	H169	106.8°	90.0°
C94	C96	C97	110.6°	90.0°
C94	C96	C98	110.0°	90.0°
C94	C96	H170	108.6°	90.0°
O22	C95	O23	20.6°	90.0°
C95	O23	H177	90.0°	90.0°
C97	C96	C98	109.8°	90.0°
C97	C96	H170	108.7°	90.0°
C96	C97	H171	109.5°	90.0°
C96	C97	H172	109.5°	90.0°
C96	C97	H173	109.5°	90.0°
C98	C96	H170	109.1°	90.0°
C96	C98	H174	109.5°	90.0°
C96	C98	H175	109.4°	90.0°
C96	C98	H176	109.4°	90.0°
H171	C97	H172	109.5°	90.0°
H171	C97	H173	109.4°	90.0°
H172	C97	H173	109.5°	90.0°
H174	C98	H175	109.5°	90.0°
H174	C98	H176	109.4°	90.0°
H175	C98	H176	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	N1	168.2°	90.0°
O1	C1	C2	H1	0.0°	90.0°
O1	C1	C2	H2	120.0°	90.0°
O1	C1	C2	H3	120.0°	90.0°
O1	C1	N1	C3	0.0°	90.0°
O1	C1	N1	H4	179.9°	90.0°
C1	C2	H1	H2	120.0°	90.0°
C1	C2	H1	H3	120.0°	90.0°
C1	C2	H2	H3	120.0°	90.0°
C2	C1	N1	C3	167.9°	90.0°
C2	C1	N1	H4	12.1°	90.0°
H1	C2	H2	H3	120.0°	90.0°
H1	C2	C1	N1	168.2°	90.0°
H2	C2	C1	N1	71.7°	90.0°
H3	C2	C1	N1	48.2°	90.0°
C3	N1	H4	C1	180.0°	90.0°
N1	C3	C4	C5	122.8°	90.0°
N1	C3	C4	H5	119.4°	90.0°
N1	C3	C5	H5	119.0°	90.0°
N1	C3	C4	O2	20.6°	90.0°
N1	C3	C5	C6	154.5°	90.0°
N1	C3	C5	H6	33.8°	90.0°
N1	C3	C5	H7	84.8°	90.0°
N1	C3	C4	N3	159.4°	90.0°
H4	N1	C3	C4	49.9°	90.0°
H4	N1	C3	C5	72.7°	90.0°
H4	N1	C3	H5	168.8°	90.0°
C4	C3	C5	H5	117.8°	90.0°
C3	C4	O2	N3	180.0°	90.0°
C4	C3	C5	C6	82.3°	90.0°
C4	C3	C5	H6	157.0°	90.0°
C4	C3	C5	H7	38.4°	90.0°
C3	C4	N3	C9	180.0°	90.0°
C3	C4	N3	H17	0.0°	90.0°
C4	C3	N1	C1	130.1°	90.0°
C5	C3	C4	O2	102.2°	90.0°
C3	C5	C6	H6	120.7°	90.0°
C3	C5	C6	H7	120.7°	90.0°
C3	C5	H6	H7	117.9°	90.0°
C3	C5	C6	C7	168.5°	90.0°
C3	C5	C6	H8	71.2°	90.0°
C3	C5	C6	H9	48.2°	90.0°
C5	C3	N1	C1	107.3°	90.0°
C5	C3	C4	N3	77.8°	90.0°
H5	C3	C4	O2	140.0°	90.0°
H5	C3	C5	C6	35.5°	90.0°
H5	C3	C5	H6	85.2°	90.0°
H5	C3	C5	H7	156.2°	90.0°
H5	C3	N1	C1	11.2°	90.0°
H5	C3	C4	N3	40.0°	90.0°
O2	C4	N3	C9	0.0°	90.0°
O2	C4	N3	H17	180.0°	90.0°
C6	C5	H6	H7	117.9°	90.0°
C5	C6	C7	H8	120.3°	90.0°
C5	C6	C7	H9	120.3°	90.0°
C5	C6	H8	H9	119.1°	90.0°
C5	C6	C7	C8	155.9°	90.0°
C5	C6	C7	H10	83.9°	90.0°
C5	C6	C7	H11	35.6°	90.0°
H6	C5	C6	C7	47.8°	90.0°
H6	C5	C6	H8	168.1°	90.0°
H6	C5	C6	H9	72.5°	90.0°
H7	C5	C6	C7	70.8°	90.0°
H7	C5	C6	H8	49.5°	90.0°
H7	C5	C6	H9	168.9°	90.0°
C7	C6	H8	H9	119.2°	90.0°
C6	C7	C8	H10	120.2°	90.0°
C6	C7	C8	H11	120.3°	90.0°
C6	C7	H10	H11	119.1°	90.0°
C6	C7	C8	N2	177.2°	90.0°
C6	C7	C8	H12	56.8°	90.0°
C6	C7	C8	H13	62.4°	90.0°
H8	C6	C7	C8	35.6°	90.0°
H8	C6	C7	H10	155.9°	90.0°
H8	C6	C7	H11	84.7°	90.0°
H9	C6	C7	C8	83.8°	90.0°
H9	C6	C7	H10	36.4°	90.0°
H9	C6	C7	H11	155.9°	90.0°
C8	C7	H10	H11	119.2°	90.0°
C7	C8	N2	H12	120.3°	90.0°
C7	C8	N2	H13	120.4°	90.0°
C7	C8	H12	H13	118.9°	90.0°
C7	C8	N2	H14	180.0°	90.0°
C7	C8	N2	H15	60.0°	90.0°
C7	C8	N2	H16	60.0°	90.0°
H10	C7	C8	N2	62.6°	90.0°
H10	C7	C8	H12	177.1°	90.0°
H10	C7	C8	H13	57.8°	90.0°
H11	C7	C8	N2	56.9°	90.0°
H11	C7	C8	H12	63.5°	90.0°
H11	C7	C8	H13	177.3°	90.0°
N2	C8	H12	H13	118.9°	90.0°
C8	N2	H14	H15	120.0°	90.0°
C8	N2	H14	H16	120.0°	90.0°
C8	N2	H15	H16	120.0°	90.0°
H12	C8	N2	H14	59.6°	90.0°
H12	C8	N2	H15	179.7°	90.0°
H12	C8	N2	H16	60.4°	90.0°
H13	C8	N2	H14	59.7°	90.0°
H13	C8	N2	H15	60.4°	90.0°
H13	C8	N2	H16	179.7°	90.0°
H14	N2	H15	H16	120.0°	90.0°
C9	N3	H17	C4	180.0°	90.0°
N3	C9	C10	C11	124.2°	90.0°
N3	C9	C10	H18	119.3°	90.0°
N3	C9	C11	H18	117.9°	90.0°
N3	C9	C10	O3	145.6°	90.0°
N3	C9	C11	C12	55.1°	90.0°
N3	C9	C11	H19	65.4°	90.0°
N3	C9	C11	H20	175.6°	90.0°
N3	C9	C10	N5	33.6°	90.0°
H17	N3	C9	C10	124.8°	90.0°
H17	N3	C9	C11	111.5°	90.0°
H17	N3	C9	H18	6.0°	90.0°
C10	C9	C11	H18	116.6°	90.0°
C9	C10	O3	N5	179.2°	90.0°
C10	C9	C11	C12	179.4°	90.0°
C10	C9	C11	H19	60.1°	90.0°
C10	C9	C11	H20	58.9°	90.0°
C9	C10	N5	C13	174.7°	90.0°
C9	C10	N5	H23	5.3°	90.0°
C10	C9	N3	C4	55.2°	90.0°
C11	C9	C10	O3	21.4°	90.0°
C9	C11	C12	H19	120.5°	90.0°
C9	C11	C12	H20	120.5°	90.0°
C9	C11	H19	H20	118.5°	90.0°
C9	C11	C12	O4	33.8°	90.0°
C9	C11	C12	N4	145.6°	90.0°
C11	C9	N3	C4	68.5°	90.0°
C11	C9	C10	N5	157.8°	90.0°
H18	C9	C10	O3	95.1°	90.0°
H18	C9	C11	C12	62.9°	90.0°
H18	C9	C11	H19	176.7°	90.0°
H18	C9	C11	H20	57.6°	90.0°
H18	C9	N3	C4	174.1°	90.0°
H18	C9	C10	N5	85.7°	90.0°
O3	C10	N5	C13	4.5°	90.0°
O3	C10	N5	H23	175.5°	90.0°
C12	C11	H19	H20	118.5°	90.0°
C11	C12	O4	N4	179.4°	90.0°
C11	C12	N4	H21	179.4°	90.0°
C11	C12	N4	H22	0.6°	90.0°
H19	C11	C12	O4	154.3°	90.0°
H19	C11	C12	N4	25.1°	90.0°
H20	C11	C12	O4	86.6°	90.0°
H20	C11	C12	N4	93.9°	90.0°
O4	C12	N4	H21	0.0°	90.0°
O4	C12	N4	H22	180.0°	90.0°
C12	N4	H21	H22	180.0°	90.0°
C13	N5	H23	C10	180.0°	90.0°
N5	C13	C14	C15	129.3°	90.0°
N5	C13	C14	H24	116.8°	90.0°
N5	C13	C15	H24	115.3°	90.0°
N5	C13	C14	O5	135.0°	90.0°
N5	C13	C15	C16	57.1°	90.0°
N5	C13	C15	C17	179.5°	90.0°
N5	C13	C15	H25	61.0°	90.0°
N5	C13	C14	N6	44.7°	90.0°
H23	N5	C13	C14	122.6°	90.0°
H23	N5	C13	C15	6.4°	90.0°
H23	N5	C13	H24	121.1°	90.0°
C14	C13	C15	H24	114.0°	90.0°
C13	C14	O5	N6	179.7°	90.0°
C14	C13	C15	C16	172.1°	90.0°
C14	C13	C15	C17	48.8°	90.0°
C14	C13	C15	H25	69.8°	90.0°
C13	C14	N6	C19	178.9°	90.0°
C13	C14	N6	C23	7.8°	90.0°
C14	C13	N5	C10	57.4°	90.0°
C15	C13	C14	O5	95.7°	90.0°
C13	C15	C16	C17	123.3°	90.0°
C13	C15	C16	H25	118.0°	90.0°
C13	C15	C17	H25	118.3°	90.0°
C13	C15	C16	C18	65.3°	90.0°
C13	C15	C16	H26	55.4°	90.0°
C13	C15	C16	H27	174.0°	90.0°
C13	C15	C17	H28	180.0°	90.0°
C13	C15	C17	H29	60.0°	90.0°
C13	C15	C17	H30	60.0°	90.0°
C15	C13	N5	C10	173.6°	90.0°
C15	C13	C14	N6	84.6°	90.0°
H24	C13	C14	O5	18.2°	90.0°
H24	C13	C15	C16	58.1°	90.0°
H24	C13	C15	C17	65.2°	90.0°
H24	C13	C15	H25	176.3°	90.0°
H24	C13	N5	C10	58.9°	90.0°
H24	C13	C14	N6	161.5°	90.0°
O5	C14	N6	C19	0.8°	90.0°
O5	C14	N6	C23	172.6°	90.0°
C16	C15	C17	H25	118.7°	90.0°
C15	C16	C18	H26	120.7°	90.0°
C15	C16	C18	H27	120.7°	90.0°
C15	C16	H26	H27	117.9°	90.0°
C16	C15	C17	H28	57.0°	90.0°
C16	C15	C17	H29	177.0°	90.0°
C16	C15	C17	H30	63.0°	90.0°
C15	C16	C18	H31	180.0°	90.0°
C15	C16	C18	H32	60.0°	90.0°
C15	C16	C18	H33	60.0°	90.0°
C17	C15	C16	C18	58.0°	90.0°
C17	C15	C16	H26	178.7°	90.0°
C17	C15	C16	H27	62.8°	90.0°
C15	C17	H28	H29	120.0°	90.0°
C15	C17	H28	H30	120.0°	90.0°
C15	C17	H29	H30	120.0°	90.0°
H25	C15	C16	C18	176.7°	90.0°
H25	C15	C16	H26	62.6°	90.0°
H25	C15	C16	H27	56.0°	90.0°
H25	C15	C17	H28	61.7°	90.0°
H25	C15	C17	H29	58.3°	90.0°
H25	C15	C17	H30	178.3°	90.0°
C18	C16	H26	H27	117.8°	90.0°
C16	C18	H31	H32	120.0°	90.0°
C16	C18	H31	H33	120.0°	90.0°
C16	C18	H32	H33	120.0°	90.0°
H26	C16	C18	H31	59.3°	90.0°
H26	C16	C18	H32	179.3°	90.0°
H26	C16	C18	H33	60.7°	90.0°
H27	C16	C18	H31	59.3°	90.0°
H27	C16	C18	H32	60.7°	90.0°
H27	C16	C18	H33	179.3°	90.0°
H28	C17	H29	H30	120.0°	90.0°
H31	C18	H32	H33	120.0°	90.0°
C19	N6	C23	C14	173.7°	90.0°
N6	C19	C20	C21	114.9°	90.0°
N6	C19	C20	H34	124.2°	90.0°
N6	C19	C21	H34	117.8°	90.0°
N6	C19	C20	O6	135.5°	90.0°
N6	C19	C21	C22	29.8°	90.0°
N6	C19	C21	H35	89.3°	90.0°
N6	C19	C21	H36	148.9°	90.0°
C19	N6	C23	C22	11.7°	90.0°
C19	N6	C23	H39	130.7°	90.0°
C19	N6	C23	H40	107.3°	90.0°
N6	C19	C20	N7	43.9°	90.0°
C23	N6	C19	C20	130.3°	90.0°
C23	N6	C19	C21	11.2°	90.0°
C23	N6	C19	H34	106.0°	90.0°
N6	C23	C22	C21	30.6°	90.0°
N6	C23	C22	H39	119.0°	90.0°
N6	C23	C22	H40	119.0°	90.0°
N6	C23	C22	H37	149.9°	90.0°
N6	C23	C22	H38	88.6°	90.0°
N6	C23	H39	H40	122.9°	90.0°
C20	C19	C21	H34	120.9°	90.0°
C19	C20	O6	N7	179.3°	90.0°
C20	C19	C21	C22	151.2°	90.0°
C20	C19	C21	H35	32.1°	90.0°
C20	C19	C21	H36	89.8°	90.0°
C19	C20	N7	C24	179.5°	90.0°
C19	C20	N7	H41	0.5°	90.0°
C20	C19	N6	C14	55.1°	90.0°
C21	C19	C20	O6	109.6°	90.0°
C19	C21	C22	H35	119.1°	90.0°
C19	C21	C22	H36	119.1°	90.0°
C19	C21	H35	H36	122.7°	90.0°
C19	C21	C22	C23	38.0°	90.0°
C19	C21	C22	H37	157.2°	90.0°
C19	C21	C22	H38	81.3°	90.0°
C21	C19	N6	C14	174.2°	90.0°
C21	C19	C20	N7	71.0°	90.0°
H34	C19	C20	O6	11.3°	90.0°
H34	C19	C21	C22	87.9°	90.0°
H34	C19	C21	H35	153.0°	90.0°
H34	C19	C21	H36	31.1°	90.0°
H34	C19	N6	C14	68.7°	90.0°
H34	C19	C20	N7	168.1°	90.0°
O6	C20	N7	C24	1.1°	90.0°
O6	C20	N7	H41	178.9°	90.0°
C22	C21	H35	H36	122.7°	90.0°
C21	C22	C23	H37	119.3°	90.0°
C21	C22	C23	H38	119.2°	90.0°
C21	C22	H37	H38	122.1°	90.0°
C21	C22	C23	H39	149.6°	90.0°
C21	C22	C23	H40	88.4°	90.0°
H35	C21	C22	C23	81.1°	90.0°
H35	C21	C22	H37	38.2°	90.0°
H35	C21	C22	H38	159.6°	90.0°
H36	C21	C22	C23	157.0°	90.0°
H36	C21	C22	H37	83.7°	90.0°
H36	C21	C22	H38	37.8°	90.0°
C23	C22	H37	H38	122.1°	90.0°
C22	C23	H39	H40	122.9°	90.0°
C22	C23	N6	C14	162.0°	90.0°
H37	C22	C23	H39	91.1°	90.0°
H37	C22	C23	H40	30.9°	90.0°
H38	C22	C23	H39	30.4°	90.0°
H38	C22	C23	H40	152.4°	90.0°
H39	C23	N6	C14	43.0°	90.0°
H40	C23	N6	C14	79.1°	90.0°
C24	N7	H41	C20	180.0°	90.0°
N7	C24	C25	C26	123.0°	90.0°
N7	C24	C25	H42	119.3°	90.0°
N7	C24	C26	H42	119.1°	90.0°
N7	C24	C25	O7	144.7°	90.0°
N7	C24	C26	O8	63.2°	90.0°
N7	C24	C26	H43	56.9°	90.0°
N7	C24	C26	H44	176.8°	90.0°
N7	C24	C25	N8	36.3°	90.0°
H41	N7	C24	C25	112.1°	90.0°
H41	N7	C24	C26	10.6°	90.0°
H41	N7	C24	H42	129.1°	90.0°
C25	C24	C26	H42	117.8°	90.0°
C24	C25	O7	N8	178.9°	90.0°
C25	C24	C26	O8	173.7°	90.0°
C25	C24	C26	H43	66.2°	90.0°
C25	C24	C26	H44	53.6°	90.0°
C24	C25	N8	C27	175.1°	90.0°
C24	C25	N8	H46	5.0°	90.0°
C25	C24	N7	C20	67.9°	90.0°
C26	C24	C25	O7	92.4°	90.0°
C24	C26	O8	H43	120.1°	90.0°
C24	C26	O8	H44	120.1°	90.0°
C24	C26	H43	H44	119.8°	90.0°
C24	C26	O8	H45	180.0°	90.0°
C26	C24	N7	C20	169.4°	90.0°
C26	C24	C25	N8	86.6°	90.0°
H42	C24	C25	O7	25.4°	90.0°
H42	C24	C26	O8	55.9°	90.0°
H42	C24	C26	H43	176.0°	90.0°
H42	C24	C26	H44	64.2°	90.0°
H42	C24	N7	C20	50.9°	90.0°
H42	C24	C25	N8	155.6°	90.0°
O7	C25	N8	C27	6.0°	90.0°
O7	C25	N8	H46	174.0°	90.0°
O8	C26	H43	H44	119.8°	90.0°
H43	C26	O8	H45	59.9°	90.0°
H44	C26	O8	H45	59.9°	90.0°
C27	N8	H46	C25	180.0°	90.0°
N8	C27	C28	C29	124.9°	90.0°
N8	C27	C28	H47	118.3°	90.0°
N8	C27	C29	H47	118.4°	90.0°
N8	C27	C28	O9	140.8°	90.0°
N8	C27	C29	C30	175.5°	90.0°
N8	C27	C29	H48	63.5°	90.0°
N8	C27	C29	H49	54.5°	90.0°
N8	C27	C28	N9	40.6°	90.0°
H46	N8	C27	C28	118.3°	90.0°
H46	N8	C27	C29	6.1°	90.0°
H46	N8	C27	H47	124.0°	90.0°
C28	C27	C29	H47	116.8°	90.0°
C27	C28	O9	N9	178.5°	90.0°
C28	C27	C29	C30	50.7°	90.0°
C28	C27	C29	H48	171.8°	90.0°
C28	C27	C29	H49	70.3°	90.0°
C27	C28	N9	C33	179.3°	90.0°
C27	C28	N9	H57	0.7°	90.0°
C28	C27	N8	C25	61.8°	90.0°
C29	C27	C28	O9	94.4°	90.0°
C27	C29	C30	H48	121.1°	90.0°
C27	C29	C30	H49	121.1°	90.0°
C27	C29	H48	H49	116.7°	90.0°
C27	C29	C30	C31	59.7°	90.0°
C27	C29	C30	C32	176.7°	90.0°
C27	C29	C30	H50	59.1°	90.0°
C29	C27	N8	C25	173.9°	90.0°
C29	C27	C28	N9	84.2°	90.0°
H47	C27	C28	O9	22.5°	90.0°
H47	C27	C29	C30	66.1°	90.0°
H47	C27	C29	H48	54.9°	90.0°
H47	C27	C29	H49	172.8°	90.0°
H47	C27	N8	C25	56.0°	90.0°
H47	C27	C28	N9	158.9°	90.0°
O9	C28	N9	C33	2.1°	90.0°
O9	C28	N9	H57	177.9°	90.0°
C30	C29	H48	H49	116.7°	90.0°
C29	C30	C31	C32	124.2°	90.0°
C29	C30	C31	H50	118.8°	90.0°
C29	C30	C32	H50	117.6°	90.0°
C29	C30	C31	H51	180.0°	90.0°
C29	C30	C31	H52	60.0°	90.0°
C29	C30	C31	H53	60.0°	90.0°
C29	C30	C32	H54	180.0°	90.0°
C29	C30	C32	H55	60.0°	90.0°
C29	C30	C32	H56	60.0°	90.0°
H48	C29	C30	C31	61.4°	90.0°
H48	C29	C30	C32	62.3°	90.0°
H48	C29	C30	H50	179.9°	90.0°
H49	C29	C30	C31	179.2°	90.0°
H49	C29	C30	C32	55.6°	90.0°
H49	C29	C30	H50	62.0°	90.0°
C31	C30	C32	H50	117.0°	90.0°
C30	C31	H51	H52	120.0°	90.0°
C30	C31	H51	H53	120.0°	90.0°
C30	C31	H52	H53	120.0°	90.0°
C31	C30	C32	H54	54.6°	90.0°
C31	C30	C32	H55	65.4°	90.0°
C31	C30	C32	H56	174.7°	90.0°
C32	C30	C31	H51	55.9°	90.0°
C32	C30	C31	H52	175.8°	90.0°
C32	C30	C31	H53	64.2°	90.0°
C30	C32	H54	H55	120.0°	90.0°
C30	C32	H54	H56	120.0°	90.0°
C30	C32	H55	H56	120.0°	90.0°
H50	C30	C31	H51	61.2°	90.0°
H50	C30	C31	H52	58.8°	90.0°
H50	C30	C31	H53	178.8°	90.0°
H50	C30	C32	H54	62.4°	90.0°
H50	C30	C32	H55	177.6°	90.0°
H50	C30	C32	H56	57.7°	90.0°
H51	C31	H52	H53	120.0°	90.0°
H54	C32	H55	H56	120.0°	90.0°
C33	N9	H57	C28	180.0°	90.0°
N9	C33	C34	C35	123.6°	90.0°
N9	C33	C34	H58	118.9°	90.0°
N9	C33	C35	H58	119.7°	90.0°
N9	C33	C34	O10	141.8°	90.0°
N9	C33	C35	C36	65.0°	90.0°
N9	C33	C35	H59	56.4°	90.0°
N9	C33	C35	H60	173.7°	90.0°
N9	C33	C34	N10	38.5°	90.0°
H57	N9	C33	C34	117.6°	90.0°
H57	N9	C33	C35	4.9°	90.0°
H57	N9	C33	H58	124.0°	90.0°
C34	C33	C35	H58	117.6°	90.0°
C33	C34	O10	N10	179.7°	90.0°
C34	C33	C35	C36	172.4°	90.0°
C34	C33	C35	H59	66.2°	90.0°
C34	C33	C35	H60	51.0°	90.0°
C33	C34	N10	C39	179.1°	90.0°
C33	C34	N10	H68	0.8°	90.0°
C34	C33	N9	C28	62.4°	90.0°
C35	C33	C34	O10	94.6°	90.0°
C33	C35	C36	H59	121.4°	90.0°
C33	C35	C36	H60	121.4°	90.0°
C33	C35	H59	H60	115.6°	90.0°
C33	C35	C36	C37	172.5°	90.0°
C33	C35	C36	C38	50.8°	90.0°
C33	C35	C36	H61	68.8°	90.0°
C35	C33	N9	C28	175.1°	90.0°
C35	C33	C34	N10	85.1°	90.0°
H58	C33	C34	O10	23.0°	90.0°
H58	C33	C35	C36	54.8°	90.0°
H58	C33	C35	H59	176.2°	90.0°
H58	C33	C35	H60	66.6°	90.0°
H58	C33	N9	C28	55.9°	90.0°
H58	C33	C34	N10	157.4°	90.0°
O10	C34	N10	C39	1.2°	90.0°
O10	C34	N10	H68	178.9°	90.0°
C36	C35	H59	H60	115.6°	90.0°
C35	C36	C37	C38	122.4°	90.0°
C35	C36	C37	H61	118.7°	90.0°
C35	C36	C38	H61	119.4°	90.0°
C35	C36	C37	H62	180.0°	90.0°
C35	C36	C37	H63	60.0°	90.0°
C35	C36	C37	H64	60.0°	90.0°
C35	C36	C38	H65	180.0°	90.0°
C35	C36	C38	H66	60.0°	90.0°
C35	C36	C38	H67	60.0°	90.0°
H59	C35	C36	C37	66.1°	90.0°
H59	C35	C36	C38	172.2°	90.0°
H59	C35	C36	H61	52.6°	90.0°
H60	C35	C36	C37	51.1°	90.0°
H60	C35	C36	C38	70.6°	90.0°
H60	C35	C36	H61	169.9°	90.0°
C37	C36	C38	H61	118.8°	90.0°
C36	C37	H62	H63	120.0°	90.0°
C36	C37	H62	H64	120.0°	90.0°
C36	C37	H63	H64	120.0°	90.0°
C37	C36	C38	H65	58.1°	90.0°
C37	C36	C38	H66	61.8°	90.0°
C37	C36	C38	H67	178.2°	90.0°
C38	C36	C37	H62	57.6°	90.0°
C38	C36	C37	H63	177.6°	90.0°
C38	C36	C37	H64	62.4°	90.0°
C36	C38	H65	H66	120.0°	90.0°
C36	C38	H65	H67	120.0°	90.0°
C36	C38	H66	H67	120.0°	90.0°
H61	C36	C37	H62	61.3°	90.0°
H61	C36	C37	H63	58.7°	90.0°
H61	C36	C37	H64	178.7°	90.0°
H61	C36	C38	H65	60.6°	90.0°
H61	C36	C38	H66	179.4°	90.0°
H61	C36	C38	H67	59.4°	90.0°
H62	C37	H63	H64	120.0°	90.0°
H65	C38	H66	H67	120.0°	90.0°
C39	N10	H68	C34	180.0°	90.0°
N10	C39	C40	C41	124.3°	90.0°
N10	C39	C40	H69	118.2°	90.0°
N10	C39	C41	H69	119.3°	90.0°
N10	C39	C40	O11	137.8°	90.0°
N10	C39	C41	C42	61.3°	90.0°
N10	C39	C41	H70	59.6°	90.0°
N10	C39	C41	H71	177.9°	90.0°
N10	C39	C40	N14	42.2°	90.0°
H68	N10	C39	C40	114.6°	90.0°
H68	N10	C39	C41	9.0°	90.0°
H68	N10	C39	H69	127.7°	90.0°
C40	C39	C41	H69	117.5°	90.0°
C39	C40	O11	N14	180.0°	90.0°
C40	C39	C41	C42	175.6°	90.0°
C40	C39	C41	H70	63.6°	90.0°
C40	C39	C41	H71	54.7°	90.0°
C39	C40	N14	C45	177.3°	90.0°
C39	C40	N14	H81	2.7°	90.0°
C40	C39	N10	C34	65.4°	90.0°
C41	C39	C40	O11	97.8°	90.0°
C39	C41	C42	H70	120.8°	90.0°
C39	C41	C42	H71	120.8°	90.0°
C39	C41	H70	H71	117.3°	90.0°
C39	C41	C42	C43	48.7°	90.0°
C39	C41	C42	H72	71.9°	90.0°
C39	C41	C42	H73	169.2°	90.0°
C41	C39	N10	C34	171.0°	90.0°
C41	C39	C40	N14	82.2°	90.0°
H69	C39	C40	O11	19.6°	90.0°
H69	C39	C41	C42	58.0°	90.0°
H69	C39	C41	H70	178.9°	90.0°
H69	C39	C41	H71	62.8°	90.0°
H69	C39	N10	C34	52.3°	90.0°
H69	C39	C40	N14	160.4°	90.0°
O11	C40	N14	C45	2.7°	90.0°
O11	C40	N14	H81	177.3°	90.0°
C42	C41	H70	H71	117.4°	90.0°
C41	C42	C43	H72	120.6°	90.0°
C41	C42	C43	H73	120.6°	90.0°
C41	C42	H72	H73	118.3°	90.0°
C41	C42	C43	N11	50.4°	90.0°
C41	C42	C43	H74	69.9°	90.0°
C41	C42	C43	H75	170.7°	90.0°
H70	C41	C42	C43	169.5°	90.0°
H70	C41	C42	H72	49.0°	90.0°
H70	C41	C42	H73	69.9°	90.0°
H71	C41	C42	C43	72.2°	90.0°
H71	C41	C42	H72	167.3°	90.0°
H71	C41	C42	H73	48.4°	90.0°
C43	C42	H72	H73	118.2°	90.0°
C42	C43	N11	H74	120.3°	90.0°
C42	C43	N11	H75	120.3°	90.0°
C42	C43	H74	H75	119.2°	90.0°
C42	C43	N11	C44	140.0°	90.0°
C42	C43	N11	H76	40.0°	90.0°
H72	C42	C43	N11	171.0°	90.0°
H72	C42	C43	H74	50.7°	90.0°
H72	C42	C43	H75	68.8°	90.0°
H73	C42	C43	N11	70.2°	90.0°
H73	C42	C43	H74	169.5°	90.0°
H73	C42	C43	H75	50.1°	90.0°
N11	C43	H74	H75	119.2°	90.0°
C43	N11	C44	H76	180.0°	90.0°
C43	N11	C44	N12	2.1°	90.0°
C43	N11	C44	N13	178.1°	90.0°
H74	C43	N11	C44	19.7°	90.0°
H74	C43	N11	H76	160.3°	90.0°
H75	C43	N11	C44	99.8°	90.0°
H75	C43	N11	H76	80.2°	90.0°
N11	C44	N12	N13	179.8°	90.0°
N11	C44	N12	H77	179.7°	90.0°
N11	C44	N12	H78	0.2°	90.0°
N11	C44	N13	H79	179.8°	90.0°
N11	C44	N13	H80	0.2°	90.0°
H76	N11	C44	N12	177.9°	90.0°
H76	N11	C44	N13	1.9°	90.0°
C44	N12	H77	H78	180.0°	90.0°
N12	C44	N13	H79	0.0°	90.0°
N12	C44	N13	H80	180.0°	90.0°
N13	C44	N12	H77	0.0°	90.0°
N13	C44	N12	H78	180.0°	90.0°
C44	N13	H79	H80	180.0°	90.0°
C45	N14	H81	C40	180.0°	90.0°
N14	C45	C46	C47	124.5°	90.0°
N14	C45	C46	H82	118.3°	90.0°
N14	C45	C47	H82	118.7°	90.0°
N14	C45	C46	O12	132.0°	90.0°
N14	C45	C47	C48	170.0°	90.0°
N14	C45	C47	H83	49.2°	90.0°
N14	C45	C47	H84	69.2°	90.0°
N14	C45	C46	N15	49.1°	90.0°
H81	N14	C45	C46	118.6°	90.0°
H81	N14	C45	C47	5.6°	90.0°
H81	N14	C45	H82	123.7°	90.0°
C46	C45	C47	H82	117.2°	90.0°
C45	C46	O12	N15	178.8°	90.0°
C46	C45	C47	C48	65.9°	90.0°
C46	C45	C47	H83	173.3°	90.0°
C46	C45	C47	H84	54.8°	90.0°
C45	C46	N15	C51	178.7°	90.0°
C45	C46	N15	H90	1.3°	90.0°
C46	C45	N14	C40	61.3°	90.0°
C47	C45	C46	O12	103.4°	90.0°
C45	C47	C48	H83	120.8°	90.0°
C45	C47	C48	H84	120.7°	90.0°
C45	C47	H83	H84	117.6°	90.0°
C45	C47	C48	C49	86.1°	90.0°
C45	C47	C48	H85	34.4°	90.0°
C45	C47	C48	H86	153.5°	90.0°
C47	C45	N14	C40	174.5°	90.0°
C47	C45	C46	N15	75.5°	90.0°
H82	C45	C46	O12	13.8°	90.0°
H82	C45	C47	C48	51.3°	90.0°
H82	C45	C47	H83	69.5°	90.0°
H82	C45	C47	H84	172.1°	90.0°
H82	C45	N14	C40	56.3°	90.0°
H82	C45	C46	N15	167.3°	90.0°
O12	C46	N15	C51	0.2°	90.0°
O12	C46	N15	H90	179.8°	90.0°
C48	C47	H83	H84	117.7°	90.0°
C47	C48	C49	H85	120.4°	90.0°
C47	C48	C49	H86	120.4°	90.0°
C47	C48	H85	H86	118.6°	90.0°
C47	C48	C49	C50	179.9°	90.0°
C47	C48	C49	H87	59.5°	90.0°
C47	C48	C49	H88	59.6°	90.0°
H83	C47	C48	C49	153.2°	90.0°
H83	C47	C48	H85	86.4°	90.0°
H83	C47	C48	H86	32.7°	90.0°
H84	C47	C48	C49	34.7°	90.0°
H84	C47	C48	H85	155.1°	90.0°
H84	C47	C48	H86	85.8°	90.0°
C49	C48	H85	H86	118.7°	90.0°
C48	C49	C50	H87	120.5°	90.0°
C48	C49	C50	H88	120.5°	90.0°
C48	C49	H87	H88	118.5°	90.0°
C48	C49	C50	H89	40.9°	90.0°
C48	C49	C50	C70	139.0°	90.0°
H85	C48	C49	C50	59.6°	90.0°
H85	C48	C49	H87	179.9°	90.0°
H85	C48	C49	H88	60.9°	90.0°
H86	C48	C49	C50	59.5°	90.0°
H86	C48	C49	H87	61.0°	90.0°
H86	C48	C49	H88	180.0°	90.0°
C50	C49	H87	H88	118.5°	90.0°
C49	C50	H89	C70	180.0°	90.0°
C49	C50	C70	C69	1.0°	90.0°
C49	C50	C70	H119	178.9°	90.0°
H87	C49	C50	H89	79.5°	90.0°
H87	C49	C50	C70	100.5°	90.0°
H88	C49	C50	H89	161.4°	90.0°
H88	C49	C50	C70	18.6°	90.0°
H89	C50	C70	C69	178.9°	90.0°
H89	C50	C70	H119	1.1°	90.0°
C51	N15	H90	C46	180.0°	90.0°
N15	C51	C52	C53	123.4°	90.0°
N15	C51	C52	H91	118.5°	90.0°
N15	C51	C53	H91	119.0°	90.0°
N15	C51	C52	O13	143.3°	90.0°
N15	C51	C53	C54	70.1°	90.0°
N15	C51	C53	H92	50.4°	90.0°
N15	C51	C53	H93	169.5°	90.0°
N15	C51	C52	N17	36.0°	90.0°
H90	N15	C51	C52	119.1°	90.0°
H90	N15	C51	C53	4.4°	90.0°
H90	N15	C51	H91	122.9°	90.0°
C52	C51	C53	H91	118.1°	90.0°
C51	C52	O13	N17	179.2°	90.0°
C52	C51	C53	C54	167.1°	90.0°
C52	C51	C53	H92	72.5°	90.0°
C52	C51	C53	H93	46.6°	90.0°
C51	C52	N17	C56	177.9°	90.0°
C51	C52	N17	H98	2.1°	90.0°
C52	C51	N15	C46	60.9°	90.0°
C53	C51	C52	O13	93.3°	90.0°
C51	C53	C54	H92	120.5°	90.0°
C51	C53	C54	H93	120.5°	90.0°
C51	C53	H92	H93	118.6°	90.0°
C51	C53	C54	C55	160.2°	90.0°
C51	C53	C54	H94	79.3°	90.0°
C51	C53	C54	H95	39.6°	90.0°
C53	C51	N15	C46	175.6°	90.0°
C53	C51	C52	N17	87.4°	90.0°
H91	C51	C52	O13	24.8°	90.0°
H91	C51	C53	C54	48.9°	90.0°
H91	C51	C53	H92	169.4°	90.0°
H91	C51	C53	H93	71.5°	90.0°
H91	C51	N15	C46	57.1°	90.0°
H91	C51	C52	N17	154.5°	90.0°
O13	C52	N17	C56	1.4°	90.0°
O13	C52	N17	H98	178.6°	90.0°
C54	C53	H92	H93	118.5°	90.0°
C53	C54	C55	H94	120.5°	90.0°
C53	C54	C55	H95	120.5°	90.0°
C53	C54	H94	H95	118.3°	90.0°
C53	C54	C55	O14	31.8°	90.0°
C53	C54	C55	N16	149.5°	90.0°
H92	C53	C54	C55	39.7°	90.0°
H92	C53	C54	H94	160.2°	90.0°
H92	C53	C54	H95	80.9°	90.0°
H93	C53	C54	C55	79.3°	90.0°
H93	C53	C54	H94	41.2°	90.0°
H93	C53	C54	H95	160.1°	90.0°
C55	C54	H94	H95	118.4°	90.0°
C54	C55	O14	N16	178.7°	90.0°
C54	C55	N16	H96	178.7°	90.0°
C54	C55	N16	H97	1.3°	90.0°
H94	C54	C55	O14	152.3°	90.0°
H94	C54	C55	N16	28.9°	90.0°
H95	C54	C55	O14	88.7°	90.0°
H95	C54	C55	N16	90.0°	90.0°
O14	C55	N16	H96	0.0°	90.0°
O14	C55	N16	H97	180.0°	90.0°
C55	N16	H96	H97	180.0°	90.0°
C56	N17	H98	C52	180.0°	90.0°
N17	C56	C57	C58	123.1°	90.0°
N17	C56	C57	H99	119.0°	90.0°
N17	C56	C58	H99	118.8°	90.0°
N17	C56	C57	O15	137.3°	90.0°
N17	C56	C58	H100	180.0°	90.0°
N17	C56	C58	H101	60.0°	90.0°
N17	C56	C58	H102	60.0°	90.0°
N17	C56	C57	N18	42.8°	90.0°
H98	N17	C56	C57	116.6°	90.0°
H98	N17	C56	C58	6.7°	90.0°
H98	N17	C56	H99	125.0°	90.0°
C57	C56	C58	H99	117.8°	90.0°
C56	C57	O15	N18	179.9°	90.0°
C57	C56	C58	H100	56.7°	90.0°
C57	C56	C58	H101	176.7°	90.0°
C57	C56	C58	H102	63.3°	90.0°
C56	C57	N18	C59	178.7°	90.0°
C56	C57	N18	H103	1.3°	90.0°
C57	C56	N17	C52	63.4°	90.0°
C58	C56	C57	O15	99.6°	90.0°
C56	C58	H100	H101	120.0°	90.0°
C56	C58	H100	H102	120.0°	90.0°
C56	C58	H101	H102	120.0°	90.0°
C58	C56	N17	C52	173.3°	90.0°
C58	C56	C57	N18	80.3°	90.0°
H99	C56	C57	O15	18.3°	90.0°
H99	C56	C58	H100	61.2°	90.0°
H99	C56	C58	H101	58.9°	90.0°
H99	C56	C58	H102	178.8°	90.0°
H99	C56	N17	C52	55.0°	90.0°
H99	C56	C57	N18	161.9°	90.0°
O15	C57	N18	C59	1.4°	90.0°
O15	C57	N18	H103	178.6°	90.0°
H100	C58	H101	H102	120.0°	90.0°
C59	N18	H103	C57	180.0°	90.0°
N18	C59	C60	C61	126.5°	90.0°
N18	C59	C60	H104	117.5°	90.0°
N18	C59	C61	H104	116.5°	90.0°
N18	C59	C60	O16	148.8°	90.0°
N18	C59	C61	C62	75.0°	90.0°
N18	C59	C61	H105	45.5°	90.0°
N18	C59	C61	H106	164.5°	90.0°
N18	C59	C60	N21	30.5°	90.0°
H103	N18	C59	C60	110.2°	90.0°
H103	N18	C59	C61	16.6°	90.0°
H103	N18	C59	H104	132.7°	90.0°
C60	C59	C61	H104	116.0°	90.0°
C59	C60	O16	N21	179.3°	90.0°
C60	C59	C61	C62	157.5°	90.0°
C60	C59	C61	H105	82.0°	90.0°
C60	C59	C61	H106	37.0°	90.0°
C59	C60	N21	C65	175.6°	90.0°
C59	C60	N21	H111	4.3°	90.0°
C60	C59	N18	C57	69.8°	90.0°
C61	C59	C60	O16	84.7°	90.0°
C59	C61	C62	H105	120.5°	90.0°
C59	C61	C62	H106	120.5°	90.0°
C59	C61	H105	H106	118.5°	90.0°
C59	C61	C62	N19	83.7°	90.0°
C59	C61	C62	C63	93.8°	90.0°
C61	C59	N18	C57	163.4°	90.0°
C61	C59	C60	N21	96.0°	90.0°
H104	C59	C60	O16	31.3°	90.0°
H104	C59	C61	C62	41.6°	90.0°
H104	C59	C61	H105	162.1°	90.0°
H104	C59	C61	H106	79.0°	90.0°
H104	C59	N18	C57	47.3°	90.0°
H104	C59	C60	N21	148.0°	90.0°
O16	C60	N21	C65	3.6°	90.0°
O16	C60	N21	H111	176.4°	90.0°
C62	C61	H105	H106	118.5°	90.0°
C61	C62	N19	C63	178.0°	90.0°
C61	C62	N19	C64	178.9°	90.0°
C61	C62	N19	H107	1.2°	90.0°
C61	C62	C63	N20	178.8°	90.0°
C61	C62	C63	H108	1.2°	90.0°
H105	C61	C62	N19	155.8°	90.0°
H105	C61	C62	C63	26.7°	90.0°
H106	C61	C62	N19	36.8°	90.0°
H106	C61	C62	C63	145.7°	90.0°
C62	N19	C64	H107	180.0°	90.0°
N19	C62	C63	N20	1.1°	90.0°
N19	C62	C63	H108	179.0°	90.0°
C62	N19	C64	N20	0.2°	90.0°
C62	N19	C64	H109	179.8°	90.0°
C63	C62	N19	C64	0.8°	90.0°
C63	C62	N19	H107	179.2°	90.0°
C62	C63	N20	H108	180.0°	90.0°
C62	C63	N20	C64	0.9°	90.0°
C62	C63	N20	H110	179.0°	90.0°
N19	C64	N20	C63	0.4°	90.0°
N19	C64	N20	H109	180.0°	90.0°
N19	C64	N20	H110	179.5°	90.0°
H107	N19	C64	N20	179.8°	90.0°
H107	N19	C64	H109	0.2°	90.0°
C63	N20	C64	H110	180.0°	90.0°
C63	N20	C64	H109	179.5°	90.0°
H108	C63	N20	C64	179.1°	90.0°
H108	C63	N20	H110	1.0°	90.0°
H109	C64	N20	H110	0.5°	90.0°
C65	N21	H111	C60	180.0°	90.0°
N21	C65	C66	C67	123.8°	90.0°
N21	C65	C66	H112	118.4°	90.0°
N21	C65	C67	H112	118.0°	90.0°
N21	C65	C66	O17	138.3°	90.0°
N21	C65	C67	C68	74.9°	90.0°
N21	C65	C67	H113	45.4°	90.0°
N21	C65	C67	H114	164.7°	90.0°
N21	C65	C66	N22	39.4°	90.0°
H111	N21	C65	C66	113.6°	90.0°
H111	N21	C65	C67	11.1°	90.0°
H111	N21	C65	H112	128.6°	90.0°
C66	C65	C67	H112	117.8°	90.0°
C65	C66	O17	N22	177.6°	90.0°
C66	C65	C67	C68	160.8°	90.0°
C66	C65	C67	H113	78.8°	90.0°
C66	C65	C67	H114	40.5°	90.0°
C65	C66	N22	C71	177.3°	90.0°
C65	C66	N22	H120	2.7°	90.0°
C66	C65	N21	C60	66.4°	90.0°
C67	C65	C66	O17	97.9°	90.0°
C65	C67	C68	H113	120.3°	90.0°
C65	C67	C68	H114	120.4°	90.0°
C65	C67	H113	H114	118.9°	90.0°
C65	C67	C68	C69	165.8°	90.0°
C65	C67	C68	H115	73.7°	90.0°
C65	C67	C68	H116	45.3°	90.0°
C67	C65	N21	C60	168.9°	90.0°
C67	C65	C66	N22	84.4°	90.0°
H112	C65	C66	O17	19.9°	90.0°
H112	C65	C67	C68	43.0°	90.0°
H112	C65	C67	H113	163.4°	90.0°
H112	C65	C67	H114	77.3°	90.0°
H112	C65	N21	C60	51.4°	90.0°
H112	C65	C66	N22	157.8°	90.0°
O17	C66	N22	C71	0.3°	90.0°
O17	C66	N22	H120	179.7°	90.0°
C68	C67	H113	H114	118.9°	90.0°
C67	C68	C69	H115	120.5°	90.0°
C67	C68	C69	H116	120.5°	90.0°
C67	C68	H115	H116	118.4°	90.0°
C67	C68	C69	C70	178.2°	90.0°
C67	C68	C69	H117	61.6°	90.0°
C67	C68	C69	H118	58.1°	90.0°
H113	C67	C68	C69	45.4°	90.0°
H113	C67	C68	H115	166.0°	90.0°
H113	C67	C68	H116	75.1°	90.0°
H114	C67	C68	C69	73.9°	90.0°
H114	C67	C68	H115	46.7°	90.0°
H114	C67	C68	H116	165.6°	90.0°
C69	C68	H115	H116	118.3°	90.0°
C68	C69	C70	H117	120.1°	90.0°
C68	C69	C70	H118	120.1°	90.0°
C68	C69	H117	H118	119.6°	90.0°
C68	C69	C70	H119	75.6°	90.0°
C68	C69	C70	C50	104.5°	90.0°
H115	C68	C69	C70	57.7°	90.0°
H115	C68	C69	H117	177.8°	90.0°
H115	C68	C69	H118	62.5°	90.0°
H116	C68	C69	C70	61.2°	90.0°
H116	C68	C69	H117	58.9°	90.0°
H116	C68	C69	H118	178.6°	90.0°
C70	C69	H117	H118	119.6°	90.0°
C69	C70	H119	C50	180.0°	90.0°
H117	C69	C70	H119	164.3°	90.0°
H117	C69	C70	C50	15.7°	90.0°
H118	C69	C70	H119	44.6°	90.0°
H118	C69	C70	C50	135.4°	90.0°
C71	N22	H120	C66	180.0°	90.0°
N22	C71	C72	C73	123.9°	90.0°
N22	C71	C72	H121	118.4°	90.0°
N22	C71	C73	H121	118.5°	90.0°
N22	C71	C72	O18	141.5°	90.0°
N22	C71	C73	C74	73.6°	90.0°
N22	C71	C73	H122	46.8°	90.0°
N22	C71	C73	H123	165.9°	90.0°
N22	C71	C72	N26	38.4°	90.0°
H120	N22	C71	C72	111.2°	90.0°
H120	N22	C71	C73	13.0°	90.0°
H120	N22	C71	H121	131.0°	90.0°
C72	C71	C73	H121	117.8°	90.0°
C71	C72	O18	N26	179.8°	90.0°
C72	C71	C73	C74	162.6°	90.0°
C72	C71	C73	H122	77.0°	90.0°
C72	C71	C73	H123	42.2°	90.0°
C71	C72	N26	C77	174.1°	90.0°
C71	C72	N26	H133	5.9°	90.0°
C72	C71	N22	C66	68.8°	90.0°
C73	C71	C72	O18	94.6°	90.0°
C71	C73	C74	H122	120.4°	90.0°
C71	C73	C74	H123	120.4°	90.0°
C71	C73	H122	H123	118.7°	90.0°
C71	C73	C74	C75	163.2°	90.0°
C71	C73	C74	H124	42.6°	90.0°
C71	C73	C74	H125	76.2°	90.0°
C73	C71	N22	C66	167.0°	90.0°
C73	C71	C72	N26	85.5°	90.0°
H121	C71	C72	O18	23.1°	90.0°
H121	C71	C73	C74	44.9°	90.0°
H121	C71	C73	H122	165.3°	90.0°
H121	C71	C73	H123	75.6°	90.0°
H121	C71	N22	C66	49.0°	90.0°
H121	C71	C72	N26	156.7°	90.0°
O18	C72	N26	C77	5.8°	90.0°
O18	C72	N26	H133	174.2°	90.0°
C74	C73	H122	H123	118.7°	90.0°
C73	C74	C75	H124	120.6°	90.0°
C73	C74	C75	H125	120.6°	90.0°
C73	C74	H124	H125	118.3°	90.0°
C73	C74	C75	N23	173.7°	90.0°
C73	C74	C75	H126	66.1°	90.0°
C73	C74	C75	H127	53.5°	90.0°
H122	C73	C74	C75	76.4°	90.0°
H122	C73	C74	H124	163.1°	90.0°
H122	C73	C74	H125	44.2°	90.0°
H123	C73	C74	C75	42.8°	90.0°
H123	C73	C74	H124	77.8°	90.0°
H123	C73	C74	H125	163.3°	90.0°
C75	C74	H124	H125	118.3°	90.0°
C74	C75	N23	H126	120.2°	90.0°
C74	C75	N23	H127	120.2°	90.0°
C74	C75	H126	H127	119.4°	90.0°
C74	C75	N23	C76	88.2°	90.0°
C74	C75	N23	H128	91.8°	90.0°
H124	C74	C75	N23	53.2°	90.0°
H124	C74	C75	H126	173.4°	90.0°
H124	C74	C75	H127	67.0°	90.0°
H125	C74	C75	N23	65.7°	90.0°
H125	C74	C75	H126	54.5°	90.0°
H125	C74	C75	H127	174.1°	90.0°
N23	C75	H126	H127	119.5°	90.0°
C75	N23	C76	H128	180.0°	90.0°
C75	N23	C76	N24	0.6°	90.0°
C75	N23	C76	N25	179.6°	90.0°
H126	C75	N23	C76	32.0°	90.0°
H126	C75	N23	H128	148.0°	90.0°
H127	C75	N23	C76	151.7°	90.0°
H127	C75	N23	H128	28.3°	90.0°
N23	C76	N24	N25	179.8°	90.0°
N23	C76	N24	H129	179.8°	90.0°
N23	C76	N24	H130	0.2°	90.0°
N23	C76	N25	H131	179.8°	90.0°
N23	C76	N25	H132	0.2°	90.0°
H128	N23	C76	N24	179.4°	90.0°
H128	N23	C76	N25	0.4°	90.0°
C76	N24	H129	H130	180.0°	90.0°
N24	C76	N25	H131	0.0°	90.0°
N24	C76	N25	H132	180.0°	90.0°
N25	C76	N24	H129	0.0°	90.0°
N25	C76	N24	H130	180.0°	90.0°
C76	N25	H131	H132	180.0°	90.0°
C77	N26	H133	C72	180.0°	90.0°
N26	C77	C78	C79	121.5°	90.0°
N26	C77	C78	H134	120.3°	90.0°
N26	C77	C79	H134	119.8°	90.0°
N26	C77	C78	O19	128.8°	90.0°
N26	C77	C79	C80	178.7°	90.0°
N26	C77	C79	H135	60.5°	90.0°
N26	C77	C79	H136	57.9°	90.0°
N26	C77	C78	N28	51.1°	90.0°
H133	N26	C77	C78	121.8°	90.0°
H133	N26	C77	C79	0.9°	90.0°
H133	N26	C77	H134	118.4°	90.0°
C78	C77	C79	H134	118.3°	90.0°
C77	C78	O19	N28	179.9°	90.0°
C78	C77	C79	C80	56.8°	90.0°
C78	C77	C79	H135	177.6°	90.0°
C78	C77	C79	H136	64.0°	90.0°
C77	C78	N28	C83	175.2°	90.0°
C77	C78	N28	H146	4.8°	90.0°
C78	C77	N26	C72	58.2°	90.0°
C79	C77	C78	O19	109.8°	90.0°
C77	C79	C80	H135	120.8°	90.0°
C77	C79	C80	H136	120.8°	90.0°
C77	C79	H135	H136	117.6°	90.0°
C77	C79	C80	C81	154.6°	90.0°
C77	C79	C80	H137	34.4°	90.0°
C77	C79	C80	H138	85.2°	90.0°
C79	C77	N26	C72	179.1°	90.0°
C79	C77	C78	N28	70.3°	90.0°
H134	C77	C78	O19	8.5°	90.0°
H134	C77	C79	C80	61.5°	90.0°
H134	C77	C79	H135	59.3°	90.0°
H134	C77	C79	H136	177.7°	90.0°
H134	C77	N26	C72	61.6°	90.0°
H134	C77	C78	N28	171.4°	90.0°
O19	C78	N28	C83	4.9°	90.0°
O19	C78	N28	H146	175.1°	90.0°
C80	C79	H135	H136	117.5°	90.0°
C79	C80	C81	H137	120.2°	90.0°
C79	C80	C81	H138	120.2°	90.0°
C79	C80	H137	H138	119.5°	90.0°
C79	C80	C81	C82	64.6°	90.0°
C79	C80	C81	H139	175.3°	90.0°
C79	C80	C81	H140	55.4°	90.0°
H135	C79	C80	C81	84.6°	90.0°
H135	C79	C80	H137	155.2°	90.0°
H135	C79	C80	H138	35.6°	90.0°
H136	C79	C80	C81	33.8°	90.0°
H136	C79	C80	H137	86.4°	90.0°
H136	C79	C80	H138	154.0°	90.0°
C81	C80	H137	H138	119.5°	90.0°
C80	C81	C82	H139	120.0°	90.0°
C80	C81	C82	H140	120.0°	90.0°
C80	C81	H139	H140	119.9°	90.0°
C80	C81	C82	N27	166.8°	90.0°
C80	C81	C82	H141	45.9°	90.0°
C80	C81	C82	H142	72.2°	90.0°
H137	C80	C81	C82	55.5°	90.0°
H137	C80	C81	H139	64.5°	90.0°
H137	C80	C81	H140	175.5°	90.0°
H138	C80	C81	C82	175.2°	90.0°
H138	C80	C81	H139	55.2°	90.0°
H138	C80	C81	H140	64.8°	90.0°
C82	C81	H139	H140	120.0°	90.0°
C81	C82	N27	H141	121.0°	90.0°
C81	C82	N27	H142	121.0°	90.0°
C81	C82	H141	H142	117.0°	90.0°
C81	C82	N27	H143	180.0°	90.0°
C81	C82	N27	H144	60.0°	90.0°
C81	C82	N27	H145	60.0°	90.0°
H139	C81	C82	N27	73.2°	90.0°
H139	C81	C82	H141	165.8°	90.0°
H139	C81	C82	H142	47.8°	90.0°
H140	C81	C82	N27	46.8°	90.0°
H140	C81	C82	H141	74.1°	90.0°
H140	C81	C82	H142	167.8°	90.0°
N27	C82	H141	H142	117.0°	90.0°
C82	N27	H143	H144	120.0°	90.0°
C82	N27	H143	H145	120.0°	90.0°
C82	N27	H144	H145	120.0°	90.0°
H141	C82	N27	H143	59.1°	90.0°
H141	C82	N27	H144	179.0°	90.0°
H141	C82	N27	H145	60.9°	90.0°
H142	C82	N27	H143	59.0°	90.0°
H142	C82	N27	H144	60.9°	90.0°
H142	C82	N27	H145	179.0°	90.0°
H143	N27	H144	H145	120.0°	90.0°
C83	N28	H146	C78	180.0°	90.0°
N28	C83	C84	C85	125.1°	90.0°
N28	C83	C84	H147	118.7°	90.0°
N28	C83	C85	H147	117.9°	90.0°
N28	C83	C84	O20	148.2°	90.0°
N28	C83	C85	C86	72.3°	90.0°
N28	C83	C85	H148	48.3°	90.0°
N28	C83	C85	H149	167.1°	90.0°
N28	C83	C84	N30	31.6°	90.0°
H146	N28	C83	C84	115.3°	90.0°
H146	N28	C83	C85	9.0°	90.0°
H146	N28	C83	H147	126.4°	90.0°
C84	C83	C85	H147	116.3°	90.0°
C83	C84	O20	N30	179.9°	90.0°
C84	C83	C85	C86	162.0°	90.0°
C84	C83	C85	H148	77.4°	90.0°
C84	C83	C85	H149	41.4°	90.0°
C83	C84	N30	C89	178.0°	90.0°
C83	C84	N30	H159	2.0°	90.0°
C84	C83	N28	C78	64.7°	90.0°
C85	C83	C84	O20	86.7°	90.0°
C83	C85	C86	H148	120.6°	90.0°
C83	C85	C86	H149	120.7°	90.0°
C83	C85	H148	H149	118.0°	90.0°
C83	C85	C86	C87	73.1°	90.0°
C83	C85	C86	H150	47.0°	90.0°
C83	C85	C86	H151	166.8°	90.0°
C85	C83	N28	C78	171.0°	90.0°
C85	C83	C84	N30	93.4°	90.0°
H147	C83	C84	O20	29.5°	90.0°
H147	C83	C85	C86	45.6°	90.0°
H147	C83	C85	H148	166.3°	90.0°
H147	C83	C85	H149	75.0°	90.0°
H147	C83	N28	C78	53.6°	90.0°
H147	C83	C84	N30	150.4°	90.0°
O20	C84	N30	C89	2.1°	90.0°
O20	C84	N30	H159	177.9°	90.0°
C86	C85	H148	H149	118.0°	90.0°
C85	C86	C87	H150	120.1°	90.0°
C85	C86	C87	H151	120.1°	90.0°
C85	C86	H150	H151	119.7°	90.0°
C85	C86	C87	C88	90.0°	90.0°
C85	C86	C87	H152	90.0°	90.0°
C85	C86	C87	H153	90.0°	90.0°
H148	C85	C86	C87	166.3°	90.0°
H148	C85	C86	H150	73.7°	90.0°
H148	C85	C86	H151	46.2°	90.0°
H149	C85	C86	C87	47.6°	90.0°
H149	C85	C86	H150	167.6°	90.0°
H149	C85	C86	H151	72.5°	90.0°
C87	C86	H150	H151	119.8°	90.0°
C86	C87	C88	H152	90.0°	90.0°
C86	C87	C88	H153	90.0°	90.0°
C86	C87	H152	H153	90.0°	90.0°
C86	C87	C88	N29	90.0°	90.0°
C86	C87	C88	H154	90.0°	90.0°
C86	C87	C88	H155	90.0°	90.0°
H150	C86	C87	C88	90.0°	90.0°
H150	C86	C87	H152	90.0°	90.0°
H150	C86	C87	H153	90.0°	90.0°
H151	C86	C87	C88	90.0°	90.0°
H151	C86	C87	H152	90.0°	90.0°
H151	C86	C87	H153	90.0°	90.0°
C88	C87	H152	H153	90.0°	90.0°
C87	C88	N29	H154	90.0°	90.0°
C87	C88	N29	H155	90.0°	90.0°
C87	C88	H154	H155	90.0°	90.0°
C87	C88	N29	H156	90.0°	90.0°
C87	C88	N29	H157	90.0°	90.0°
C87	C88	N29	H158	90.0°	90.0°
H152	C87	C88	N29	90.0°	90.0°
H152	C87	C88	H154	90.0°	90.0°
H152	C87	C88	H155	90.0°	90.0°
H153	C87	C88	N29	90.0°	90.0°
H153	C87	C88	H154	90.0°	90.0°
H153	C87	C88	H155	90.0°	90.0°
N29	C88	H154	H155	90.0°	90.0°
C88	N29	H156	H157	90.0°	90.0°
C88	N29	H156	H158	90.0°	90.0°
C88	N29	H157	H158	90.0°	90.0°
H154	C88	N29	H156	90.0°	90.0°
H154	C88	N29	H157	90.0°	90.0°
H154	C88	N29	H158	90.0°	90.0°
H155	C88	N29	H156	90.0°	90.0°
H155	C88	N29	H157	90.0°	90.0°
H155	C88	N29	H158	90.0°	90.0°
H156	N29	H157	H158	90.0°	90.0°
C89	N30	H159	C84	180.0°	90.0°
N30	C89	C90	C91	125.1°	90.0°
N30	C89	C90	H160	118.5°	90.0°
N30	C89	C91	H160	118.3°	90.0°
N30	C89	C90	O21	167.8°	90.0°
N30	C89	C91	C92	74.8°	90.0°
N30	C89	C91	H161	164.4°	90.0°
N30	C89	C91	H162	46.0°	90.0°
N30	C89	C90	N31	11.9°	90.0°
H159	N30	C89	C90	101.0°	90.0°
H159	N30	C89	C91	23.3°	90.0°
H159	N30	C89	H160	141.0°	90.0°
C90	C89	C91	H160	116.5°	90.0°
C89	C90	O21	N31	179.7°	90.0°
C90	C89	C91	C92	50.4°	90.0°
C90	C89	C91	H161	70.4°	90.0°
C90	C89	C91	H162	171.2°	90.0°
C89	C90	N31	C94	171.0°	90.0°
C89	C90	N31	H168	9.0°	90.0°
C90	C89	N30	C84	79.0°	90.0°
C91	C89	C90	O21	67.0°	90.0°
C89	C91	C92	H161	120.8°	90.0°
C89	C91	C92	H162	120.8°	90.0°
C89	C91	H161	H162	117.5°	90.0°
C89	C91	C92	S1	179.2°	90.0°
C89	C91	C92	H163	59.6°	90.0°
C89	C91	C92	H164	58.0°	90.0°
C91	C89	N30	C84	156.8°	90.0°
C91	C89	C90	N31	113.3°	90.0°
H160	C89	C90	O21	49.3°	90.0°
H160	C89	C91	C92	166.9°	90.0°
H160	C89	C91	H161	46.1°	90.0°
H160	C89	C91	H162	72.3°	90.0°
H160	C89	N30	C84	39.0°	90.0°
H160	C89	C90	N31	130.4°	90.0°
O21	C90	N31	C94	9.3°	90.0°
O21	C90	N31	H168	170.7°	90.0°
C92	C91	H161	H162	117.5°	90.0°
C91	C92	S1	H163	121.2°	90.0°
C91	C92	S1	H164	121.2°	90.0°
C91	C92	H163	H164	116.3°	90.0°
C91	C92	S1	C93	88.9°	90.0°
H161	C91	C92	S1	58.4°	90.0°
H161	C91	C92	H163	179.6°	90.0°
H161	C91	C92	H164	62.8°	90.0°
H162	C91	C92	S1	60.0°	90.0°
H162	C91	C92	H163	61.2°	90.0°
H162	C91	C92	H164	178.8°	90.0°
S1	C92	H163	H164	116.3°	90.0°
C92	S1	C93	H165	180.0°	90.0°
C92	S1	C93	H166	60.0°	90.0°
C92	S1	C93	H167	60.0°	90.0°
H163	C92	S1	C93	149.9°	90.0°
H164	C92	S1	C93	32.3°	90.0°
S1	C93	H165	H166	120.0°	90.0°
S1	C93	H165	H167	120.0°	90.0°
S1	C93	H166	H167	120.0°	90.0°
H165	C93	H166	H167	120.0°	90.0°
C94	N31	H168	C90	180.0°	90.0°
N31	C94	C95	C96	125.8°	90.0°
N31	C94	C95	H169	118.6°	90.0°
N31	C94	C96	H169	117.4°	90.0°
N31	C94	C95	O22	22.3°	90.0°
N31	C94	C95	O23	44.3°	90.0°
N31	C94	C96	C97	63.0°	90.0°
N31	C94	C96	C98	175.5°	90.0°
N31	C94	C96	H170	56.2°	90.0°
H168	N31	C94	C95	105.3°	90.0°
H168	N31	C94	C96	19.7°	90.0°
H168	N31	C94	H169	136.6°	90.0°
C95	C94	C96	H169	115.7°	90.0°
C94	C95	O22	O23	75.8°	90.0°
C95	C94	C96	C97	63.9°	90.0°
C95	C94	C96	C98	57.6°	90.0°
C95	C94	C96	H170	176.9°	90.0°
C94	C95	O23	H177	90.0°	90.0°
C95	C94	N31	C90	74.7°	90.0°
C96	C94	C95	O22	103.4°	90.0°
C96	C94	C95	O23	81.5°	90.0°
C94	C96	C97	C98	121.6°	90.0°
C94	C96	C97	H170	119.1°	90.0°
C94	C96	C98	H170	119.0°	90.0°
C94	C96	C97	H171	180.0°	90.0°
C94	C96	C97	H172	60.0°	90.0°
C94	C96	C97	H173	60.0°	90.0°
C94	C96	C98	H174	180.0°	90.0°
C94	C96	C98	H175	60.0°	90.0°
C94	C96	C98	H176	60.0°	90.0°
C96	C94	N31	C90	160.3°	90.0°
H169	C94	C95	O22	140.9°	90.0°
H169	C94	C95	O23	162.8°	90.0°
H169	C94	C96	C97	179.6°	90.0°
H169	C94	C96	C98	58.0°	90.0°
H169	C94	C96	H170	61.3°	90.0°
H169	C94	N31	C90	43.4°	90.0°
O22	C95	O23	H177	90.0°	90.0°
C97	C96	C98	H170	119.0°	90.0°
C96	C97	H171	H172	120.0°	90.0°
C96	C97	H171	H173	120.0°	90.0°
C96	C97	H172	H173	120.0°	90.0°
C97	C96	C98	H174	58.0°	90.0°
C97	C96	C98	H175	62.0°	90.0°
C97	C96	C98	H176	178.0°	90.0°
C98	C96	C97	H171	58.4°	90.0°
C98	C96	C97	H172	178.4°	90.0°
C98	C96	C97	H173	61.6°	90.0°
C96	C98	H174	H175	120.0°	90.0°
C96	C98	H174	H176	120.0°	90.0°
C96	C98	H175	H176	120.0°	90.0°
H170	C96	C97	H171	60.9°	90.0°
H170	C96	C97	H172	59.2°	90.0°
H170	C96	C97	H173	179.1°	90.0°
H170	C96	C98	H174	61.0°	90.0°
H170	C96	C98	H175	179.0°	90.0°
H170	C96	C98	H176	59.0°	90.0°
H171	C97	H172	H173	120.0°	90.0°
H174	C98	H175	H176	120.0°	90.0°

Release date:	2013-11-06
Last modified:	2013-11-06
Processing site:	RCSB