PRD_000921

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	doub	1.21Å	1.24Å
C1	C2	sing	1.51Å	1.51Å
C2	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
N1	C3	sing	1.46Å	1.45Å
N1	H4	sing	0.97Å	1.00Å
C3	C4	sing	1.51Å	1.54Å
C3	C5	sing	1.53Å	1.53Å
C3	H5	sing	1.09Å	1.10Å
C4	O2	doub	1.21Å	1.24Å
C5	H6	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
N2	C6	sing	1.46Å	1.45Å
N2	H9	sing	0.97Å	1.00Å
C6	C7	sing	1.51Å	1.54Å
C6	C8	sing	1.53Å	1.58Å
C6	H10	sing	1.09Å	1.10Å
C7	O3	doub	1.21Å	1.23Å
C8	H11	sing	1.09Å	1.10Å
C8	H12	sing	1.09Å	1.10Å
C8	H13	sing	1.09Å	1.10Å
N3	C9	sing	1.47Å	1.45Å
N3	H14	sing	0.97Å	1.00Å
C9	C10	sing	1.50Å	1.52Å
C9	C11	sing	1.54Å	1.55Å
C9	H15	sing	1.09Å	1.10Å
C10	O4	doub	1.22Å	1.22Å
C11	S1	sing	1.81Å	1.81Å
C11	H16	sing	1.09Å	1.10Å
C11	H17	sing	1.09Å	1.10Å
N4	C12	sing	1.47Å	1.46Å
N4	H18	sing	0.98Å	1.00Å
C12	C13	sing	1.51Å	1.51Å
C12	C14	sing	1.53Å	1.53Å
C12	H19	sing	1.08Å	1.10Å
C13	O5	doub	1.21Å	1.23Å
C14	C15	sing	1.53Å	1.52Å
C14	H20	sing	1.09Å	1.10Å
C14	H21	sing	1.09Å	1.10Å
C15	C16	sing	1.53Å	1.48Å
C15	C17	sing	1.53Å	1.47Å
C15	H22	sing	1.09Å	1.10Å
C16	H23	sing	1.09Å	1.10Å
C16	H24	sing	1.09Å	1.10Å
C16	H25	sing	1.09Å	1.10Å
C17	H26	sing	1.09Å	1.10Å
C17	H27	sing	1.09Å	1.10Å
C17	H28	sing	1.09Å	1.10Å
N5	C18	sing	1.48Å	1.45Å
N5	H29	sing	0.97Å	1.00Å
C18	C19	sing	1.51Å	1.54Å
C18	C20	sing	1.53Å	1.53Å
C18	H30	sing	1.09Å	1.10Å
C19	O6	doub	1.21Å	1.21Å
C20	C21	sing	1.53Å	1.53Å
C20	H31	sing	1.09Å	1.10Å
C20	H32	sing	1.09Å	1.10Å
C21	C22	sing	1.53Å	1.58Å
C21	H33	sing	1.09Å	1.10Å
C21	H34	sing	1.09Å	1.10Å
C22	N6	sing	1.47Å	1.48Å
C22	H35	sing	1.09Å	1.10Å
C22	H36	sing	1.09Å	1.10Å
N6	C23	sing	1.37Å	1.36Å
N6	H37	sing	0.97Å	1.00Å
C23	N7	sing	1.33Å	1.34Å
C23	N8	doub	1.33Å	1.32Å
N7	H38	sing	0.97Å	1.00Å
N7	H39	sing	0.97Å	1.00Å
N8	H40	sing	0.97Å	1.00Å
N8	H41	sing	0.97Å	1.00Å
N9	C24	sing	1.48Å	1.48Å
N9	H42	sing	0.98Å	1.00Å
C24	C25	sing	1.51Å	1.55Å
C24	C26	sing	1.53Å	1.53Å
C24	H43	sing	1.09Å	1.10Å
C25	O7	doub	1.21Å	1.23Å
C26	C27	sing	1.53Å	1.60Å
C26	H44	sing	1.09Å	1.10Å
C26	H45	sing	1.09Å	1.10Å
C27	C28	sing	1.53Å	1.54Å
C27	H46	sing	1.09Å	1.10Å
C27	H47	sing	1.09Å	1.10Å
C28	N10	sing	1.47Å	1.45Å
C28	H48	sing	1.09Å	1.10Å
C28	H49	sing	1.09Å	1.10Å
N10	C29	sing	1.37Å	1.34Å
N10	H50	sing	0.97Å	1.00Å
C29	N11	sing	1.33Å	1.33Å
C29	N12	doub	1.33Å	1.34Å
N11	H51	sing	0.97Å	1.00Å
N11	H52	sing	0.97Å	1.00Å
N12	H53	sing	0.97Å	1.00Å
N12	H54	sing	0.97Å	1.00Å
N13	C30	sing	1.48Å	1.46Å
N13	H55	sing	0.97Å	1.00Å
C30	C31	sing	1.51Å	1.52Å
C30	C32	sing	1.53Å	1.52Å
C30	H56	sing	1.09Å	1.10Å
C31	O8	doub	1.21Å	1.23Å
C32	C33	sing	1.53Å	1.53Å
C32	C34	sing	1.53Å	1.58Å
C32	H57	sing	1.09Å	1.10Å
C33	C35	sing	1.53Å	1.52Å
C33	H58	sing	1.09Å	1.10Å
C33	H59	sing	1.09Å	1.10Å
C34	H60	sing	1.09Å	1.10Å
C34	H61	sing	1.09Å	1.10Å
C34	H62	sing	1.09Å	1.10Å
C35	H63	sing	1.09Å	1.10Å
C35	H64	sing	1.09Å	1.10Å
C35	H65	sing	1.09Å	1.10Å
N14	C36	sing	1.48Å	1.48Å
N14	H66	sing	0.97Å	1.00Å
C36	C37	sing	1.51Å	1.50Å
C36	H67	sing	1.09Å	1.10Å
C36	H68	sing	1.09Å	1.10Å
C37	O9	doub	1.21Å	1.23Å
N15	C38	sing	1.47Å	1.49Å
N15	H69	sing	0.97Å	1.00Å
C38	C39	sing	1.51Å	1.52Å
C38	C40	sing	1.53Å	1.54Å
C38	H70	sing	1.09Å	1.10Å
C39	O10	doub	1.21Å	1.21Å
C40	C41	sing	1.51Å	1.54Å
C40	H71	sing	1.09Å	1.10Å
C40	H72	sing	1.09Å	1.10Å
C41	O11	doub	1.21Å	1.25Å
C41	O12	sing	1.34Å	1.24Å
O12	H73	sing	0.97Å	0.95Å
N16	C42	sing	1.48Å	1.50Å
N16	H74	sing	0.97Å	1.00Å
C42	C43	sing	1.51Å	1.55Å
C42	C44	sing	1.53Å	1.52Å
C42	H75	sing	1.09Å	1.10Å
C43	O13	doub	1.21Å	1.25Å
C44	S2	sing	1.81Å	1.79Å
C44	H76	sing	1.09Å	1.10Å
C44	H77	sing	1.09Å	1.10Å
N17	C45	sing	1.47Å	1.49Å
N17	H78	sing	0.97Å	1.00Å
C45	C46	sing	1.51Å	1.53Å
C45	C47	sing	1.53Å	1.58Å
C45	H79	sing	1.09Å	1.10Å
C46	O14	doub	1.21Å	1.25Å
C47	C48	sing	1.53Å	1.56Å
C47	C49	sing	1.53Å	1.53Å
C47	H80	sing	1.09Å	1.10Å
C48	H81	sing	1.09Å	1.10Å
C48	H82	sing	1.09Å	1.10Å
C48	H83	sing	1.09Å	1.10Å
C49	H84	sing	1.09Å	1.10Å
C49	H85	sing	1.09Å	1.10Å
C49	H86	sing	1.09Å	1.10Å
N18	C50	sing	1.47Å	1.46Å
N18	H87	sing	0.97Å	1.00Å
C50	C51	sing	1.51Å	1.53Å
C50	C52	sing	1.53Å	1.53Å
C50	H88	sing	1.09Å	1.10Å
C51	O15	doub	1.21Å	1.25Å
C52	C53	sing	1.51Å	1.51Å
C52	H89	sing	1.09Å	1.10Å
C52	H90	sing	1.09Å	1.10Å
C53	O16	doub	1.21Å	1.22Å
C53	N19	sing	1.35Å	1.36Å
N19	H91	sing	0.97Å	1.00Å
N19	H92	sing	0.97Å	1.00Å
N20	C54	sing	1.46Å	1.47Å
N20	H93	sing	0.97Å	1.00Å
C54	C55	sing	1.51Å	1.53Å
C54	C56	sing	1.53Å	1.53Å
C54	H94	sing	1.09Å	1.10Å
C55	O17	doub	1.21Å	1.20Å
C56	C57	sing	1.53Å	1.57Å
C56	H95	sing	1.09Å	1.10Å
C56	H96	sing	1.09Å	1.10Å
C57	C58	sing	1.53Å	1.55Å
C57	C59	sing	1.53Å	1.56Å
C57	H97	sing	1.09Å	1.10Å
C58	H98	sing	1.09Å	1.10Å
C58	H99	sing	1.09Å	1.10Å
C58	H100	sing	1.09Å	1.10Å
C59	H101	sing	1.09Å	1.10Å
C59	H102	sing	1.09Å	1.10Å
C59	H103	sing	1.09Å	1.10Å
N21	C60	sing	1.46Å	1.47Å
N21	H104	sing	0.97Å	1.00Å
C60	C61	sing	1.51Å	1.53Å
C60	C62	sing	1.53Å	1.54Å
C60	H105	sing	1.09Å	1.10Å
C61	O18	doub	1.21Å	1.26Å
C62	C63	sing	1.53Å	1.55Å
C62	H106	sing	1.09Å	1.10Å
C62	H107	sing	1.09Å	1.10Å
C63	C64	sing	1.53Å	1.56Å
C63	H108	sing	1.09Å	1.10Å
C63	H109	sing	1.09Å	1.10Å
C64	N22	sing	1.47Å	1.48Å
C64	H110	sing	1.09Å	1.10Å
C64	H111	sing	1.09Å	1.10Å
N22	C65	sing	1.37Å	1.34Å
N22	H112	sing	0.97Å	1.00Å
C65	N23	sing	1.33Å	1.34Å
C65	N24	doub	1.33Å	1.33Å
N23	H113	sing	0.97Å	1.00Å
N23	H114	sing	0.97Å	1.00Å
N24	H115	sing	0.97Å	1.00Å
N24	H116	sing	0.97Å	1.00Å
N25	C66	sing	1.47Å	1.46Å
N25	H117	sing	0.97Å	1.00Å
C66	C67	sing	1.51Å	1.52Å
C66	C68	sing	1.53Å	1.52Å
C66	H118	sing	1.09Å	1.10Å
C67	O19	doub	1.21Å	1.23Å
C68	C69	sing	1.53Å	1.51Å
C68	H119	sing	1.09Å	1.10Å
C68	H120	sing	1.09Å	1.10Å
C69	C70	sing	1.51Å	1.52Å
C69	H121	sing	1.09Å	1.10Å
C69	H122	sing	1.09Å	1.10Å
C70	O20	doub	1.21Å	1.24Å
C70	N26	sing	1.35Å	1.33Å
N26	H123	sing	0.97Å	1.00Å
N26	H124	sing	0.97Å	1.00Å
N27	C71	sing	1.46Å	1.48Å
N27	H125	sing	0.97Å	1.00Å
C71	C72	sing	1.51Å	1.53Å
C71	C73	sing	1.53Å	1.55Å
C71	H126	sing	1.09Å	1.10Å
C72	O21	doub	1.21Å	1.22Å
C73	C74	sing	1.53Å	1.53Å
C73	H127	sing	1.09Å	1.10Å
C73	H128	sing	1.09Å	1.10Å
C74	C75	sing	1.53Å	1.50Å
C74	H129	sing	1.09Å	1.10Å
C74	H130	sing	1.09Å	1.10Å
C75	C76	sing	1.53Å	1.50Å
C75	H131	sing	1.09Å	1.10Å
C75	H132	sing	1.09Å	1.10Å
C76	N28	sing	1.47Å	1.51Å
C76	H133	sing	1.09Å	1.10Å
C76	H134	sing	1.09Å	1.10Å
N28	H135	sing	1.01Å	1.00Å
N28	H136	sing	1.01Å	1.00Å
N28	H137	sing	1.01Å	1.00Å
N29	C77	sing	1.46Å	1.47Å
N29	H138	sing	0.97Å	1.00Å
C77	C78	sing	1.51Å	1.51Å
C77	C79	sing	1.53Å	1.52Å
C77	H139	sing	1.09Å	1.10Å
C78	O22	doub	1.21Å	1.25Å
C79	C80	sing	1.53Å	1.53Å
C79	H140	sing	1.09Å	1.10Å
C79	H141	sing	1.09Å	1.10Å
C80	C81	sing	1.53Å	1.53Å
C80	C82	sing	1.53Å	1.53Å
C80	H142	sing	1.09Å	1.10Å
C81	H143	sing	1.09Å	1.10Å
C81	H144	sing	1.09Å	1.10Å
C81	H145	sing	1.09Å	1.10Å
C82	H146	sing	1.09Å	1.10Å
C82	H147	sing	1.09Å	1.10Å
C82	H148	sing	1.09Å	1.10Å
N30	C83	sing	1.47Å	1.45Å
N30	H149	sing	0.97Å	1.00Å
C83	C84	sing	1.51Å	1.52Å
C83	C85	sing	1.53Å	1.53Å
C83	H150	sing	1.09Å	1.10Å
C84	O23	doub	1.21Å	1.24Å
C85	C86	sing	1.53Å	1.52Å
C85	H151	sing	1.09Å	1.10Å
C85	H152	sing	1.09Å	1.10Å
C86	C87	sing	1.53Å	1.54Å
C86	C88	sing	1.53Å	1.54Å
C86	H153	sing	1.09Å	1.10Å
C87	H154	sing	1.09Å	1.10Å
C87	H155	sing	1.09Å	1.10Å
C87	H156	sing	1.09Å	1.10Å
C88	H157	sing	1.09Å	1.10Å
C88	H158	sing	1.09Å	1.10Å
C88	H159	sing	1.09Å	1.10Å
N31	C89	sing	1.47Å	1.48Å
N31	H160	sing	0.97Å	1.00Å
C89	C90	sing	1.51Å	1.53Å
C89	C91	sing	1.53Å	1.55Å
C89	H161	sing	1.09Å	1.10Å
C90	O24	doub	1.21Å	1.23Å
C91	C92	sing	1.51Å	1.56Å
C91	H162	sing	1.09Å	1.10Å
C91	H163	sing	1.09Å	1.10Å
C92	O25	doub	1.21Å	1.22Å
C92	N32	sing	1.35Å	1.33Å
N32	H164	sing	0.97Å	1.00Å
N32	H165	sing	0.97Å	1.00Å
N33	H166	sing	0.97Å	1.00Å
N33	H167	sing	0.97Å	1.00Å
C93	C94	sing	1.51Å	1.51Å
C94	C95	doub	1.38Å	1.39Å	Aromatic
C94	C97	sing	1.38Å	1.39Å	Aromatic
C95	C96	sing	1.38Å	1.40Å	Aromatic
C97	C98	doub	1.39Å	1.38Å	Aromatic
C96	C99	doub	1.39Å	1.39Å	Aromatic
C98	C99	sing	1.39Å	1.38Å	Aromatic
C99	C100	sing	1.48Å	1.47Å
C100	C103	doub	1.40Å	1.38Å	Aromatic
C100	C101	sing	1.39Å	1.40Å	Aromatic
C103	C104	sing	1.38Å	1.39Å	Aromatic
C101	C102	doub	1.38Å	1.41Å	Aromatic
C104	C105	doub	1.38Å	1.38Å	Aromatic
C102	C105	sing	1.39Å	1.41Å	Aromatic
C105	C106	sing	1.51Å	1.54Å
C93	H168	sing	1.09Å	15.02Å
C93	H169	sing	1.09Å	15.02Å
C95	H170	sing	1.08Å	1.08Å
C96	H171	sing	1.08Å	1.08Å
C97	H172	sing	1.08Å	1.08Å
C98	H173	sing	1.08Å	1.08Å
C101	H174	sing	1.08Å	1.08Å
C102	H175	sing	1.08Å	1.08Å
C103	H176	sing	1.08Å	1.08Å
C104	H177	sing	1.08Å	1.08Å
C106	H178	sing	1.09Å	17.36Å
C106	H179	sing	1.09Å	17.36Å
C1	N1	sing	1.35Å	1.34Å
C4	N2	sing	1.35Å	1.34Å
C7	N3	sing	1.35Å	1.32Å
C10	N4	sing	1.36Å	1.33Å
S1	C106	sing	1.82Å	1.82Å
C13	N5	sing	1.36Å	1.34Å
C19	N9	sing	1.36Å	1.33Å
C25	N13	sing	1.36Å	1.33Å
C31	N14	sing	1.36Å	1.34Å
C37	N15	sing	1.36Å	1.32Å
C39	N16	sing	1.36Å	1.33Å
C43	N17	sing	1.35Å	1.33Å
S2	C93	sing	1.82Å	1.85Å
C46	N18	sing	1.35Å	1.34Å
C51	N20	sing	1.35Å	1.33Å
C55	N21	sing	1.35Å	1.33Å
C61	N25	sing	1.35Å	1.34Å
C67	N27	sing	1.35Å	1.33Å
C72	N29	sing	1.35Å	1.34Å
C78	N30	sing	1.35Å	1.32Å
C84	N31	sing	1.35Å	1.34Å
C90	N33	sing	1.35Å	1.23Å
C93	S2	sing	1.82Å	1.85Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	121.7°	120.0°
O1	C1	N1	121.7°	120.0°
C1	C2	H1	109.5°	109.5°
C1	C2	H2	109.5°	109.5°
C1	C2	H3	109.5°	109.5°
C2	C1	N1	116.6°	120.0°
H1	C2	H2	109.4°	109.5°
H1	C2	H3	109.5°	109.5°
H2	C2	H3	109.4°	109.4°
C3	N1	H4	120.2°	120.0°
N1	C3	C4	113.0°	109.5°
N1	C3	C5	111.3°	109.5°
N1	C3	H5	107.3°	109.5°
C3	N1	C1	119.6°	120.0°
H4	N1	C1	120.2°	120.0°
C4	C3	C5	112.2°	109.5°
C4	C3	H5	106.2°	109.5°
C3	C4	O2	120.7°	120.0°
C3	C4	N2	117.2°	120.0°
C5	C3	H5	106.3°	109.4°
C3	C5	H6	109.5°	109.5°
C3	C5	H7	109.5°	109.5°
C3	C5	H8	109.5°	109.5°
O2	C4	N2	122.1°	120.0°
H6	C5	H7	109.5°	109.5°
H6	C5	H8	109.4°	109.5°
H7	C5	H8	109.5°	109.5°
C6	N2	H9	119.4°	120.0°
N2	C6	C7	110.6°	109.5°
N2	C6	C8	111.2°	109.5°
N2	C6	H10	108.8°	109.4°
C6	N2	C4	121.1°	120.0°
H9	N2	C4	119.5°	120.0°
C7	C6	C8	111.2°	109.5°
C7	C6	H10	107.6°	109.5°
C6	C7	O3	121.6°	120.0°
C6	C7	N3	116.9°	120.0°
C8	C6	H10	107.2°	109.5°
C6	C8	H11	109.5°	109.5°
C6	C8	H12	109.5°	109.5°
C6	C8	H13	109.4°	109.5°
O3	C7	N3	121.6°	120.0°
H11	C8	H12	109.5°	109.5°
H11	C8	H13	109.5°	109.5°
H12	C8	H13	109.5°	109.4°
C9	N3	H14	119.4°	120.0°
N3	C9	C10	108.9°	109.9°
N3	C9	C11	111.9°	108.0°
N3	C9	H15	109.3°	109.9°
C9	N3	C7	121.1°	120.0°
H14	N3	C7	119.4°	120.0°
C10	C9	C11	110.0°	109.9°
C10	C9	H15	108.5°	110.1°
C9	C10	O4	118.3°	118.6°
C9	C10	N4	117.5°	123.4°
C11	C9	H15	108.1°	109.0°
C9	C11	S1	114.7°	109.2°
C9	C11	H16	108.1°	108.6°
C9	C11	H17	108.2°	110.3°
O4	C10	N4	124.1°	118.1°
S1	C11	H16	108.1°	109.4°
S1	C11	H17	108.1°	110.2°
C11	S1	C106	107.3°	103.4°
H16	C11	H17	109.5°	109.1°
C12	N4	H18	120.4°	119.8°
N4	C12	C13	108.7°	107.8°
N4	C12	C14	111.9°	110.6°
N4	C12	H19	109.0°	110.3°
C12	N4	C10	119.3°	120.8°
H18	N4	C10	120.3°	119.4°
C13	C12	C14	110.8°	108.0°
C13	C12	H19	108.3°	109.7°
C12	C13	O5	120.2°	119.5°
C12	C13	N5	116.3°	119.9°
C14	C12	H19	108.1°	110.4°
C12	C14	C15	114.1°	109.5°
C12	C14	H20	108.3°	109.5°
C12	C14	H21	108.3°	109.5°
O5	C13	N5	123.4°	120.6°
C15	C14	H20	108.3°	109.5°
C15	C14	H21	108.3°	109.5°
C14	C15	C16	106.5°	109.5°
C14	C15	C17	108.7°	109.5°
C14	C15	H22	109.8°	109.5°
H20	C14	H21	109.5°	109.4°
C16	C15	C17	111.0°	109.5°
C16	C15	H22	110.4°	109.4°
C15	C16	H23	109.5°	109.5°
C15	C16	H24	109.5°	109.5°
C15	C16	H25	109.4°	109.5°
C17	C15	H22	110.5°	109.4°
C15	C17	H26	109.5°	109.5°
C15	C17	H27	109.5°	109.5°
C15	C17	H28	109.4°	109.4°
H23	C16	H24	109.5°	109.5°
H23	C16	H25	109.5°	109.5°
H24	C16	H25	109.5°	109.4°
H26	C17	H27	109.4°	109.5°
H26	C17	H28	109.5°	109.5°
H27	C17	H28	109.5°	109.4°
C18	N5	H29	120.8°	120.7°
N5	C18	C19	110.8°	108.9°
N5	C18	C20	111.6°	109.8°
N5	C18	H30	108.4°	109.6°
C18	N5	C13	118.4°	116.8°
H29	N5	C13	120.7°	122.4°
C19	C18	C20	110.9°	109.8°
C19	C18	H30	107.3°	109.5°
C18	C19	O6	120.1°	119.9°
C18	C19	N9	117.5°	118.6°
C20	C18	H30	107.6°	109.2°
C18	C20	C21	113.9°	109.4°
C18	C20	H31	108.4°	109.5°
C18	C20	H32	108.4°	109.5°
O6	C19	N9	122.3°	121.6°
C21	C20	H31	108.3°	109.5°
C21	C20	H32	108.4°	109.4°
C20	C21	C22	111.2°	109.4°
C20	C21	H33	109.0°	109.5°
C20	C21	H34	109.0°	109.5°
H31	C20	H32	109.5°	109.5°
C22	C21	H33	109.0°	109.5°
C22	C21	H34	109.0°	109.5°
C21	C22	N6	114.6°	109.5°
C21	C22	H35	108.2°	109.5°
C21	C22	H36	108.2°	109.5°
H33	C21	H34	109.5°	109.5°
N6	C22	H35	108.2°	109.5°
N6	C22	H36	108.2°	109.5°
C22	N6	C23	126.3°	120.0°
C22	N6	H37	116.8°	120.0°
H35	C22	H36	109.5°	109.5°
C23	N6	H37	116.9°	120.0°
N6	C23	N7	122.2°	120.0°
N6	C23	N8	120.9°	120.0°
N7	C23	N8	116.9°	120.0°
C23	N7	H38	120.0°	119.9°
C23	N7	H39	120.0°	120.0°
C23	N8	H40	120.0°	120.0°
C23	N8	H41	120.0°	120.0°
H38	N7	H39	120.0°	120.0°
H40	N8	H41	120.0°	120.0°
C24	N9	H42	118.4°	121.4°
N9	C24	C25	112.7°	109.5°
N9	C24	C26	108.3°	109.4°
N9	C24	H43	108.3°	110.0°
C24	N9	C19	123.2°	116.8°
H42	N9	C19	118.4°	121.8°
C25	C24	C26	112.0°	109.5°
C25	C24	H43	107.5°	109.4°
C24	C25	O7	121.9°	119.7°
C24	C25	N13	116.8°	119.1°
C26	C24	H43	107.8°	109.1°
C24	C26	C27	110.7°	109.4°
C24	C26	H44	109.2°	109.5°
C24	C26	H45	109.2°	109.5°
O7	C25	N13	121.1°	121.2°
C27	C26	H44	109.2°	109.5°
C27	C26	H45	109.2°	109.4°
C26	C27	C28	115.1°	109.5°
C26	C27	H46	108.0°	109.5°
C26	C27	H47	108.0°	109.4°
H44	C26	H45	109.5°	109.5°
C28	C27	H46	108.1°	109.5°
C28	C27	H47	108.0°	109.4°
C27	C28	N10	109.9°	109.5°
C27	C28	H48	109.4°	109.5°
C27	C28	H49	109.4°	109.4°
H46	C27	H47	109.5°	109.5°
N10	C28	H48	109.4°	109.5°
N10	C28	H49	109.3°	109.5°
C28	N10	C29	126.0°	120.0°
C28	N10	H50	117.0°	120.0°
H48	C28	H49	109.4°	109.5°
C29	N10	H50	117.0°	120.0°
N10	C29	N11	119.8°	120.0°
N10	C29	N12	119.9°	120.0°
N11	C29	N12	120.3°	120.1°
C29	N11	H51	120.0°	120.0°
C29	N11	H52	120.0°	120.0°
C29	N12	H53	120.0°	120.0°
C29	N12	H54	120.0°	120.0°
H51	N11	H52	120.0°	120.0°
H53	N12	H54	120.0°	120.0°
C30	N13	H55	120.2°	120.5°
N13	C30	C31	108.6°	108.5°
N13	C30	C32	109.0°	109.4°
N13	C30	H56	110.1°	109.9°
C30	N13	C25	119.6°	117.5°
H55	N13	C25	120.2°	122.0°
C31	C30	C32	110.4°	109.6°
C31	C30	H56	109.4°	109.6°
C30	C31	O8	121.2°	120.3°
C30	C31	N14	116.1°	119.1°
C32	C30	H56	109.3°	109.9°
C30	C32	C33	107.5°	109.5°
C30	C32	C34	109.3°	109.5°
C30	C32	H57	111.0°	109.5°
O8	C31	N14	122.3°	120.7°
C33	C32	C34	108.0°	109.4°
C33	C32	H57	110.8°	109.4°
C32	C33	C35	114.0°	109.5°
C32	C33	H58	108.3°	109.5°
C32	C33	H59	108.3°	109.5°
C34	C32	H57	110.2°	109.4°
C32	C34	H60	109.5°	109.5°
C32	C34	H61	109.5°	109.5°
C32	C34	H62	109.5°	109.5°
C35	C33	H58	108.3°	109.4°
C35	C33	H59	108.3°	109.4°
C33	C35	H63	109.5°	109.5°
C33	C35	H64	109.5°	109.5°
C33	C35	H65	109.5°	109.4°
H58	C33	H59	109.5°	109.4°
H60	C34	H61	109.4°	109.5°
H60	C34	H62	109.5°	109.4°
H61	C34	H62	109.5°	109.4°
H63	C35	H64	109.5°	109.4°
H63	C35	H65	109.4°	109.5°
H64	C35	H65	109.5°	109.5°
C36	N14	H66	120.3°	121.9°
N14	C36	C37	112.8°	108.6°
N14	C36	H67	108.6°	109.6°
N14	C36	H68	108.7°	109.7°
C36	N14	C31	119.4°	116.3°
H66	N14	C31	120.3°	121.8°
C37	C36	H67	108.6°	109.5°
C37	C36	H68	108.6°	109.6°
C36	C37	O9	122.1°	120.1°
C36	C37	N15	116.5°	119.6°
H67	C36	H68	109.5°	109.8°
O9	C37	N15	121.5°	120.3°
C38	N15	H69	121.0°	121.4°
N15	C38	C39	114.4°	108.9°
N15	C38	C40	108.7°	109.5°
N15	C38	H70	108.7°	109.8°
C38	N15	C37	117.9°	117.2°
H69	N15	C37	121.1°	121.3°
C39	C38	C40	108.7°	109.3°
C39	C38	H70	108.2°	109.7°
C38	C39	O10	119.8°	120.4°
C38	C39	N16	117.3°	118.9°
C40	C38	H70	108.0°	109.5°
C38	C40	C41	111.9°	109.5°
C38	C40	H71	108.9°	109.5°
C38	C40	H72	108.8°	109.5°
O10	C39	N16	122.8°	120.8°
C41	C40	H71	108.8°	109.5°
C41	C40	H72	108.9°	109.5°
C40	C41	O11	119.8°	120.0°
C40	C41	O12	118.9°	120.0°
H71	C40	H72	109.5°	109.4°
O11	C41	O12	121.3°	120.0°
C41	O12	H73	109.5°	116.9°
C42	N16	H74	119.0°	121.6°
N16	C42	C43	112.3°	109.4°
N16	C42	C44	107.8°	109.4°
N16	C42	H75	109.4°	109.8°
C42	N16	C39	122.0°	116.1°
H74	N16	C39	119.0°	122.3°
C43	C42	C44	109.3°	109.2°
C43	C42	H75	108.8°	109.6°
C42	C43	O13	122.0°	120.0°
C42	C43	N17	116.4°	120.0°
C44	C42	H75	109.2°	109.5°
C42	C44	S2	111.4°	109.4°
C42	C44	H76	109.0°	109.5°
C42	C44	H77	109.0°	109.5°
O13	C43	N17	121.5°	120.0°
S2	C44	H76	109.0°	109.5°
S2	C44	H77	109.0°	109.5°
C44	S2	C93	107.1°	103.3°
C44	S2	C93	107.1°	103.3°
H76	C44	H77	109.4°	109.4°
C45	N17	H78	118.6°	120.0°
N17	C45	C46	109.6°	109.4°
N17	C45	C47	109.1°	109.5°
N17	C45	H79	110.2°	109.5°
C45	N17	C43	122.7°	120.0°
H78	N17	C43	118.7°	120.0°
C46	C45	C47	109.0°	109.5°
C46	C45	H79	109.8°	109.5°
C45	C46	O14	120.9°	120.0°
C45	C46	N18	117.8°	120.0°
C47	C45	H79	109.1°	109.5°
C45	C47	C48	112.1°	109.5°
C45	C47	C49	112.2°	109.5°
C45	C47	H80	106.5°	109.5°
O14	C46	N18	121.3°	120.0°
C48	C47	C49	112.0°	109.5°
C48	C47	H80	106.6°	109.4°
C47	C48	H81	109.5°	109.4°
C47	C48	H82	109.5°	109.5°
C47	C48	H83	109.4°	109.4°
C49	C47	H80	107.0°	109.5°
C47	C49	H84	109.5°	109.5°
C47	C49	H85	109.5°	109.5°
C47	C49	H86	109.4°	109.4°
H81	C48	H82	109.5°	109.5°
H81	C48	H83	109.5°	109.5°
H82	C48	H83	109.5°	109.5°
H84	C49	H85	109.5°	109.4°
H84	C49	H86	109.5°	109.5°
H85	C49	H86	109.5°	109.5°
C50	N18	H87	120.6°	120.0°
N18	C50	C51	110.0°	109.5°
N18	C50	C52	109.6°	109.5°
N18	C50	H88	110.5°	109.4°
C50	N18	C46	118.8°	120.0°
H87	N18	C46	120.6°	120.0°
C51	C50	C52	107.5°	109.5°
C51	C50	H88	109.6°	109.5°
C50	C51	O15	121.9°	120.0°
C50	C51	N20	114.7°	120.0°
C52	C50	H88	109.6°	109.5°
C50	C52	C53	112.2°	109.5°
C50	C52	H89	108.8°	109.5°
C50	C52	H90	108.8°	109.5°
O15	C51	N20	123.3°	120.0°
C53	C52	H89	108.8°	109.5°
C53	C52	H90	108.8°	109.5°
C52	C53	O16	119.7°	120.0°
C52	C53	N19	117.4°	120.0°
H89	C52	H90	109.5°	109.5°
O16	C53	N19	122.8°	120.0°
C53	N19	H91	120.0°	120.0°
C53	N19	H92	120.0°	120.0°
H91	N19	H92	120.0°	120.0°
C54	N20	H93	119.9°	120.0°
N20	C54	C55	112.4°	109.5°
N20	C54	C56	111.7°	109.4°
N20	C54	H94	106.5°	109.5°
C54	N20	C51	120.2°	120.0°
H93	N20	C51	119.9°	120.0°
C55	C54	C56	113.6°	109.4°
C55	C54	H94	105.9°	109.5°
C54	C55	O17	119.7°	120.0°
C54	C55	N21	118.8°	120.0°
C56	C54	H94	105.9°	109.5°
C54	C56	C57	115.3°	109.4°
C54	C56	H95	108.0°	109.5°
C54	C56	H96	108.0°	109.4°
O17	C55	N21	121.5°	120.0°
C57	C56	H95	108.0°	109.5°
C57	C56	H96	108.0°	109.5°
C56	C57	C58	113.4°	109.5°
C56	C57	C59	110.5°	109.5°
C56	C57	H97	107.0°	109.5°
H95	C56	H96	109.5°	109.5°
C58	C57	C59	111.0°	109.5°
C58	C57	H97	107.4°	109.5°
C57	C58	H98	109.5°	109.5°
C57	C58	H99	109.4°	109.5°
C57	C58	H100	109.5°	109.5°
C59	C57	H97	107.2°	109.5°
C57	C59	H101	109.5°	109.4°
C57	C59	H102	109.5°	109.5°
C57	C59	H103	109.4°	109.4°
H98	C58	H99	109.5°	109.4°
H98	C58	H100	109.5°	109.5°
H99	C58	H100	109.5°	109.5°
H101	C59	H102	109.4°	109.5°
H101	C59	H103	109.5°	109.5°
H102	C59	H103	109.5°	109.5°
C60	N21	H104	119.3°	120.0°
N21	C60	C61	112.0°	109.5°
N21	C60	C62	111.5°	109.5°
N21	C60	H105	108.4°	109.4°
C60	N21	C55	121.5°	120.0°
H104	N21	C55	119.2°	120.0°
C61	C60	C62	109.3°	109.5°
C61	C60	H105	107.8°	109.5°
C60	C61	O18	120.6°	120.0°
C60	C61	N25	117.6°	120.0°
C62	C60	H105	107.7°	109.4°
C60	C62	C63	114.6°	109.4°
C60	C62	H106	108.2°	109.4°
C60	C62	H107	108.2°	109.5°
O18	C61	N25	121.8°	120.0°
C63	C62	H106	108.2°	109.5°
C63	C62	H107	108.2°	109.5°
C62	C63	C64	109.4°	109.4°
C62	C63	H108	109.5°	109.5°
C62	C63	H109	109.5°	109.5°
H106	C62	H107	109.5°	109.5°
C64	C63	H108	109.5°	109.4°
C64	C63	H109	109.5°	109.5°
C63	C64	N22	115.0°	109.5°
C63	C64	H110	108.1°	109.5°
C63	C64	H111	108.1°	109.5°
H108	C63	H109	109.5°	109.5°
N22	C64	H110	108.0°	109.4°
N22	C64	H111	108.1°	109.4°
C64	N22	C65	125.5°	120.0°
C64	N22	H112	117.2°	120.0°
H110	C64	H111	109.5°	109.5°
C65	N22	H112	117.2°	120.0°
N22	C65	N23	121.3°	120.1°
N22	C65	N24	119.1°	120.0°
N23	C65	N24	119.6°	120.0°
C65	N23	H113	120.0°	120.0°
C65	N23	H114	120.0°	120.1°
C65	N24	H115	120.0°	120.0°
C65	N24	H116	120.0°	120.0°
H113	N23	H114	120.0°	120.0°
H115	N24	H116	120.0°	120.0°
C66	N25	H117	120.9°	120.0°
N25	C66	C67	112.3°	109.5°
N25	C66	C68	112.3°	109.5°
N25	C66	H118	107.6°	109.5°
C66	N25	C61	118.2°	120.0°
H117	N25	C61	120.9°	120.0°
C67	C66	C68	110.5°	109.4°
C67	C66	H118	106.9°	109.5°
C66	C67	O19	120.3°	120.0°
C66	C67	N27	118.4°	120.0°
C68	C66	H118	106.9°	109.5°
C66	C68	C69	112.6°	109.5°
C66	C68	H119	108.7°	109.5°
C66	C68	H120	108.7°	109.5°
O19	C67	N27	121.4°	119.9°
C69	C68	H119	108.7°	109.4°
C69	C68	H120	108.7°	109.4°
C68	C69	C70	111.3°	109.5°
C68	C69	H121	109.0°	109.4°
C68	C69	H122	109.0°	109.5°
H119	C68	H120	109.5°	109.5°
C70	C69	H121	109.0°	109.5°
C70	C69	H122	109.0°	109.5°
C69	C70	O20	120.2°	120.0°
C69	C70	N26	117.2°	120.0°
H121	C69	H122	109.5°	109.4°
O20	C70	N26	122.6°	119.9°
C70	N26	H123	120.0°	120.0°
C70	N26	H124	120.0°	120.1°
H123	N26	H124	120.0°	119.9°
C71	N27	H125	121.5°	119.9°
N27	C71	C72	108.8°	109.5°
N27	C71	C73	113.9°	109.5°
N27	C71	H126	108.4°	109.5°
C71	N27	C67	117.0°	120.0°
H125	N27	C67	121.5°	120.0°
C72	C71	C73	110.2°	109.5°
C72	C71	H126	107.7°	109.5°
C71	C72	O21	118.4°	120.0°
C71	C72	N29	118.1°	120.0°
C73	C71	H126	107.6°	109.5°
C71	C73	C74	115.8°	109.5°
C71	C73	H127	107.9°	109.5°
C71	C73	H128	107.9°	109.4°
O21	C72	N29	123.4°	120.0°
C74	C73	H127	107.9°	109.5°
C74	C73	H128	107.9°	109.5°
C73	C74	C75	111.8°	109.5°
C73	C74	H129	108.9°	109.5°
C73	C74	H130	108.9°	109.4°
H127	C73	H128	109.5°	109.5°
C75	C74	H129	108.9°	109.5°
C75	C74	H130	108.9°	109.5°
C74	C75	C76	112.5°	109.5°
C74	C75	H131	108.7°	109.5°
C74	C75	H132	108.7°	109.4°
H129	C74	H130	109.5°	109.5°
C76	C75	H131	108.7°	109.5°
C76	C75	H132	108.7°	109.5°
C75	C76	N28	109.0°	109.4°
C75	C76	H133	109.6°	109.5°
C75	C76	H134	109.6°	109.4°
H131	C75	H132	109.5°	109.5°
N28	C76	H133	109.6°	109.5°
N28	C76	H134	109.6°	109.5°
C76	N28	H135	109.5°	109.5°
C76	N28	H136	109.5°	109.5°
C76	N28	H137	109.5°	109.5°
H133	C76	H134	109.5°	109.5°
H135	N28	H136	109.4°	109.5°
H135	N28	H137	109.5°	109.4°
H136	N28	H137	109.5°	109.4°
C77	N29	H138	119.2°	120.0°
N29	C77	C78	109.1°	109.5°
N29	C77	C79	112.1°	109.5°
N29	C77	H139	109.1°	109.5°
C77	N29	C72	121.6°	120.0°
H138	N29	C72	119.2°	120.0°
C78	C77	C79	109.4°	109.5°
C78	C77	H139	108.6°	109.4°
C77	C78	O22	121.0°	120.0°
C77	C78	N30	115.9°	120.0°
C79	C77	H139	108.4°	109.5°
C77	C79	C80	118.2°	109.5°
C77	C79	H140	107.2°	109.5°
C77	C79	H141	107.2°	109.5°
O22	C78	N30	123.1°	120.0°
C80	C79	H140	107.3°	109.5°
C80	C79	H141	107.3°	109.5°
C79	C80	C81	111.5°	109.4°
C79	C80	C82	111.8°	109.5°
C79	C80	H142	107.6°	109.5°
H140	C79	H141	109.4°	109.5°
C81	C80	C82	110.5°	109.5°
C81	C80	H142	107.6°	109.5°
C80	C81	H143	109.5°	109.5°
C80	C81	H144	109.5°	109.5°
C80	C81	H145	109.5°	109.5°
C82	C80	H142	107.6°	109.5°
C80	C82	H146	109.5°	109.5°
C80	C82	H147	109.5°	109.5°
C80	C82	H148	109.5°	109.4°
H143	C81	H144	109.5°	109.5°
H143	C81	H145	109.5°	109.5°
H144	C81	H145	109.5°	109.5°
H146	C82	H147	109.5°	109.5°
H146	C82	H148	109.5°	109.5°
H147	C82	H148	109.5°	109.5°
C83	N30	H149	119.8°	120.0°
N30	C83	C84	114.6°	109.5°
N30	C83	C85	111.3°	109.4°
N30	C83	H150	107.8°	109.4°
C83	N30	C78	120.5°	120.0°
H149	N30	C78	119.8°	120.0°
C84	C83	C85	108.7°	109.5°
C84	C83	H150	107.1°	109.5°
C83	C84	O23	118.2°	120.0°
C83	C84	N31	116.5°	119.9°
C85	C83	H150	106.9°	109.5°
C83	C85	C86	118.9°	109.4°
C83	C85	H151	107.1°	109.5°
C83	C85	H152	107.1°	109.4°
O23	C84	N31	125.3°	120.1°
C86	C85	H151	107.1°	109.5°
C86	C85	H152	107.1°	109.5°
C85	C86	C87	108.3°	109.5°
C85	C86	C88	109.9°	109.5°
C85	C86	H153	109.9°	109.5°
H151	C85	H152	109.5°	109.6°
C87	C86	C88	109.7°	109.5°
C87	C86	H153	109.5°	109.4°
C86	C87	H154	109.5°	109.5°
C86	C87	H155	109.4°	109.5°
C86	C87	H156	109.5°	109.5°
C88	C86	H153	109.5°	109.5°
C86	C88	H157	109.5°	109.5°
C86	C88	H158	109.5°	109.5°
C86	C88	H159	109.5°	109.5°
H154	C87	H155	109.5°	109.5°
H154	C87	H156	109.5°	109.4°
H155	C87	H156	109.5°	109.4°
H157	C88	H158	109.4°	109.5°
H157	C88	H159	109.5°	109.4°
H158	C88	H159	109.5°	109.4°
C89	N31	H160	117.1°	120.0°
N31	C89	C90	112.7°	109.5°
N31	C89	C91	112.0°	109.4°
N31	C89	H161	108.5°	109.4°
C89	N31	C84	125.8°	120.0°
H160	N31	C84	117.1°	120.1°
C90	C89	C91	108.0°	109.5°
C90	C89	H161	107.8°	109.5°
C89	C90	O24	119.7°	120.0°
C89	C90	N33	121.9°	120.0°
C91	C89	H161	107.6°	109.5°
C89	C91	C92	113.4°	109.5°
C89	C91	H162	108.5°	109.4°
C89	C91	H163	108.5°	109.4°
O24	C90	N33	118.4°	120.0°
C92	C91	H162	108.5°	109.5°
C92	C91	H163	108.5°	109.5°
C91	C92	O25	121.1°	120.0°
C91	C92	N32	116.5°	120.0°
H162	C91	H163	109.5°	109.5°
O25	C92	N32	122.4°	120.0°
C92	N32	H164	120.0°	120.0°
C92	N32	H165	120.0°	120.0°
H164	N32	H165	120.0°	120.0°
H166	N33	H167	120.0°	119.9°
H166	N33	C90	120.0°	120.0°
H167	N33	C90	120.0°	120.0°
C93	C94	C95	121.9°	120.2°
C93	C94	C97	117.3°	120.1°
C94	C93	H168	90.3°	109.1°
C94	C93	H169	90.3°	109.8°
C94	C93	S2	108.7°	108.9°
C94	C93	S2	108.7°	108.9°
C95	C94	C97	120.6°	119.7°
C94	C95	C96	119.0°	120.5°
C94	C95	H170	120.5°	119.7°
C94	C97	C98	120.0°	120.3°
C94	C97	H172	120.0°	119.9°
C95	C96	C99	119.8°	119.9°
C96	C95	H170	120.5°	119.7°
C95	C96	H171	120.1°	119.7°
C97	C98	C99	119.8°	119.9°
C98	C97	H172	120.0°	119.8°
C97	C98	H173	120.1°	119.5°
C96	C99	C98	120.6°	119.5°
C96	C99	C100	120.0°	120.0°
C99	C96	H171	120.1°	120.4°
C98	C99	C100	119.1°	120.5°
C99	C98	H173	120.1°	120.5°
C99	C100	C103	120.8°	120.3°
C99	C100	C101	118.3°	120.3°
C103	C100	C101	120.8°	119.3°
C100	C103	C104	119.8°	119.9°
C100	C103	H176	120.1°	120.3°
C100	C101	C102	118.9°	120.4°
C100	C101	H174	120.6°	120.3°
C103	C104	C105	120.9°	120.3°
C104	C103	H176	120.1°	119.7°
C103	C104	H177	119.6°	119.8°
C101	C102	C105	120.2°	119.9°
C102	C101	H174	120.5°	119.3°
C101	C102	H175	119.9°	119.9°
C104	C105	C102	119.4°	120.2°
C104	C105	C106	119.2°	119.9°
C105	C104	H177	119.6°	119.9°
C102	C105	C106	121.4°	119.9°
C105	C102	H175	119.9°	120.2°
C105	C106	H178	63.0°	109.6°
C105	C106	H179	63.0°	109.4°
C105	C106	S1	111.8°	109.2°
H168	C93	H169	0.0°	109.6°
H168	C93	S2	26.6°	109.4°
H168	C93	S2	26.6°	109.4°
H169	C93	S2	26.6°	109.9°
H169	C93	S2	26.6°	109.9°
H178	C106	H179	0.0°	109.5°
H178	C106	S1	68.2°	109.6°
H179	C106	S1	68.2°	109.5°
S2	C93	S2	0.0°	NaN°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	N1	178.3°	179.7°
O1	C1	C2	H1	0.0°	85.0°
O1	C1	C2	H2	120.0°	155.0°
O1	C1	C2	H3	120.0°	35.0°
O1	C1	N1	C3	10.7°	5.0°
O1	C1	N1	H4	169.4°	175.1°
C1	C2	H1	H2	120.0°	120.0°
C1	C2	H1	H3	120.0°	120.0°
C1	C2	H2	H3	120.0°	120.0°
C2	C1	N1	C3	171.0°	175.3°
C2	C1	N1	H4	9.0°	4.7°
H1	C2	H2	H3	120.0°	120.0°
H1	C2	C1	N1	178.3°	94.8°
H2	C2	C1	N1	58.3°	25.3°
H3	C2	C1	N1	61.7°	145.3°
C3	N1	H4	C1	180.0°	180.0°
N1	C3	C4	C5	126.9°	120.0°
N1	C3	C4	H5	117.3°	120.0°
N1	C3	C5	H5	116.5°	120.0°
N1	C3	C4	O2	135.3°	8.5°
N1	C3	C5	H6	180.0°	60.0°
N1	C3	C5	H7	60.0°	180.0°
N1	C3	C5	H8	60.0°	60.0°
N1	C3	C4	N2	42.4°	171.4°
H4	N1	C3	C4	121.6°	28.8°
H4	N1	C3	C5	5.8°	91.2°
H4	N1	C3	H5	121.7°	148.8°
C4	C3	C5	H5	115.7°	120.0°
C3	C4	O2	N2	177.6°	179.9°
C4	C3	C5	H6	52.2°	60.0°
C4	C3	C5	H7	172.3°	60.0°
C4	C3	C5	H8	67.7°	180.0°
C3	C4	N2	C6	174.7°	175.0°
C3	C4	N2	H9	5.4°	5.0°
C4	C3	N1	C1	58.5°	151.3°
C5	C3	C4	O2	97.8°	111.5°
C3	C5	H6	H7	120.0°	120.0°
C3	C5	H6	H8	120.0°	120.0°
C3	C5	H7	H8	120.0°	120.0°
C5	C3	N1	C1	174.2°	88.7°
C5	C3	C4	N2	84.5°	68.6°
H5	C3	C4	O2	18.0°	128.5°
H5	C3	C5	H6	63.5°	180.0°
H5	C3	C5	H7	56.5°	60.0°
H5	C3	C5	H8	176.5°	60.0°
H5	C3	N1	C1	58.3°	31.2°
H5	C3	C4	N2	159.7°	51.4°
O2	C4	N2	C6	3.0°	5.0°
O2	C4	N2	H9	177.0°	175.0°
H6	C5	H7	H8	119.9°	120.0°
C6	N2	H9	C4	180.0°	180.0°
N2	C6	C7	C8	124.1°	120.0°
N2	C6	C7	H10	118.7°	120.0°
N2	C6	C8	H10	118.8°	120.0°
N2	C6	C7	O3	137.3°	15.2°
N2	C6	C8	H11	180.0°	68.4°
N2	C6	C8	H12	60.0°	171.6°
N2	C6	C8	H13	60.0°	51.6°
N2	C6	C7	N3	42.7°	164.7°
H9	N2	C6	C7	122.9°	28.9°
H9	N2	C6	C8	1.2°	91.1°
H9	N2	C6	H10	119.0°	148.9°
C7	C6	C8	H10	117.4°	120.0°
C6	C7	O3	N3	180.0°	179.9°
C7	C6	C8	H11	56.2°	51.6°
C7	C6	C8	H12	176.2°	68.4°
C7	C6	C8	H13	63.8°	171.6°
C6	C7	N3	C9	175.7°	173.5°
C6	C7	N3	H14	4.3°	6.4°
C7	C6	N2	C4	57.1°	151.1°
C8	C6	C7	O3	98.6°	135.2°
C6	C8	H11	H12	120.0°	120.0°
C6	C8	H11	H13	120.0°	120.0°
C6	C8	H12	H13	120.0°	120.0°
C8	C6	N2	C4	178.8°	88.9°
C8	C6	C7	N3	81.4°	44.7°
H10	C6	C7	O3	18.6°	104.7°
H10	C6	C8	H11	61.2°	171.6°
H10	C6	C8	H12	58.8°	51.6°
H10	C6	C8	H13	178.8°	68.4°
H10	C6	N2	C4	60.9°	31.1°
H10	C6	C7	N3	161.4°	75.3°
O3	C7	N3	C9	4.3°	6.6°
O3	C7	N3	H14	175.7°	173.5°
H11	C8	H12	H13	120.0°	120.0°
C9	N3	H14	C7	180.0°	179.9°
N3	C9	C10	C11	123.0°	118.8°
N3	C9	C10	H15	118.9°	121.2°
N3	C9	C11	H15	120.5°	119.4°
N3	C9	C10	O4	129.8°	93.4°
N3	C9	C11	S1	70.7°	44.4°
N3	C9	C11	H16	168.5°	74.8°
N3	C9	C11	H17	50.1°	165.6°
N3	C9	C10	N4	46.0°	87.0°
H14	N3	C9	C10	114.5°	32.3°
H14	N3	C9	C11	123.7°	87.6°
H14	N3	C9	H15	3.9°	153.6°
C10	C9	C11	H15	118.3°	120.7°
C9	C10	O4	N4	175.5°	179.6°
C10	C9	C11	S1	168.1°	75.5°
C10	C9	C11	H16	47.3°	165.2°
C10	C9	C11	H17	71.1°	45.7°
C9	C10	N4	C12	175.2°	2.9°
C9	C10	N4	H18	4.8°	177.2°
C10	C9	N3	C7	65.5°	147.6°
C11	C9	C10	O4	6.9°	25.4°
C9	C11	S1	H16	120.8°	118.7°
C9	C11	S1	H17	120.8°	121.3°
C9	C11	H16	H17	117.6°	120.3°
C11	C9	N3	C7	56.3°	92.5°
C11	C9	C10	N4	169.0°	154.2°
C9	C11	S1	C106	124.7°	127.3°
H15	C9	C10	O4	111.2°	145.4°
H15	C9	C11	S1	49.7°	163.8°
H15	C9	C11	H16	71.0°	44.5°
H15	C9	C11	H17	170.5°	75.0°
H15	C9	N3	C7	176.1°	26.3°
H15	C9	C10	N4	73.0°	34.2°
O4	C10	N4	C12	9.2°	176.7°
O4	C10	N4	H18	170.8°	3.2°
S1	C11	H16	H17	117.6°	120.6°
C11	S1	C106	C105	40.3°	112.3°
C11	S1	C106	H178	6.3°	7.8°
C11	S1	C106	H179	6.3°	128.0°
H16	C11	S1	C106	3.9°	8.5°
H17	C11	S1	C106	114.5°	111.4°
C12	N4	H18	C10	180.0°	179.9°
N4	C12	C13	C14	123.3°	119.5°
N4	C12	C13	H19	118.3°	120.1°
N4	C12	C14	H19	120.0°	122.3°
N4	C12	C13	O5	142.2°	2.5°
N4	C12	C14	C15	67.1°	173.4°
N4	C12	C14	H20	53.6°	53.3°
N4	C12	C14	H21	172.3°	66.6°
N4	C12	C13	N5	34.5°	177.3°
H18	N4	C12	C13	110.6°	11.6°
H18	N4	C12	C14	12.0°	106.3°
H18	N4	C12	H19	131.5°	131.4°
C13	C12	C14	H19	118.5°	120.0°
C12	C13	O5	N5	176.4°	179.9°
C13	C12	C14	C15	171.5°	68.9°
C13	C12	C14	H20	67.8°	171.0°
C13	C12	C14	H21	50.8°	51.1°
C12	C13	N5	C18	179.2°	167.6°
C12	C13	N5	H29	0.8°	12.2°
C13	C12	N4	C10	69.4°	168.3°
C14	C12	C13	O5	94.5°	122.0°
C12	C14	C15	H20	120.6°	120.0°
C12	C14	C15	H21	120.7°	120.0°
C12	C14	H20	H21	117.9°	120.0°
C12	C14	C15	C16	160.8°	57.0°
C12	C14	C15	C17	79.6°	177.1°
C12	C14	C15	H22	41.4°	62.9°
C14	C12	N4	C10	168.0°	73.8°
C14	C12	C13	N5	88.9°	57.8°
H19	C12	C13	O5	23.9°	117.6°
H19	C12	C14	C15	52.9°	51.1°
H19	C12	C14	H20	173.6°	69.0°
H19	C12	C14	H21	67.7°	171.1°
H19	C12	N4	C10	48.5°	48.5°
H19	C12	C13	N5	152.8°	62.5°
O5	C13	N5	C18	4.3°	12.3°
O5	C13	N5	H29	175.7°	167.9°
C15	C14	H20	H21	117.9°	120.0°
C14	C15	C16	C17	118.1°	120.1°
C14	C15	C16	H22	119.0°	120.0°
C14	C15	C17	H22	120.5°	120.0°
C14	C15	C16	H23	180.0°	63.8°
C14	C15	C16	H24	60.0°	176.2°
C14	C15	C16	H25	60.0°	56.2°
C14	C15	C17	H26	180.0°	55.0°
C14	C15	C17	H27	60.0°	175.1°
C14	C15	C17	H28	60.0°	65.0°
H20	C14	C15	C16	40.2°	63.0°
H20	C14	C15	C17	159.8°	57.0°
H20	C14	C15	H22	79.3°	177.0°
H21	C14	C15	C16	78.5°	177.0°
H21	C14	C15	C17	41.1°	62.9°
H21	C14	C15	H22	162.1°	57.1°
C16	C15	C17	H22	122.8°	120.0°
C15	C16	H23	H24	120.0°	120.0°
C15	C16	H23	H25	120.0°	120.0°
C15	C16	H24	H25	120.0°	120.0°
C16	C15	C17	H26	63.3°	175.1°
C16	C15	C17	H27	56.7°	64.9°
C16	C15	C17	H28	176.7°	55.1°
C17	C15	C16	H23	61.9°	56.3°
C17	C15	C16	H24	178.1°	63.7°
C17	C15	C16	H25	58.1°	176.3°
C15	C17	H26	H27	120.0°	120.1°
C15	C17	H26	H28	120.0°	119.9°
C15	C17	H27	H28	120.0°	119.9°
H22	C15	C16	H23	60.9°	176.2°
H22	C15	C16	H24	59.1°	56.2°
H22	C15	C16	H25	179.1°	63.8°
H22	C15	C17	H26	59.5°	65.0°
H22	C15	C17	H27	179.5°	55.1°
H22	C15	C17	H28	60.5°	175.0°
H23	C16	H24	H25	120.0°	120.0°
H26	C17	H27	H28	120.0°	120.0°
C18	N5	H29	C13	180.0°	179.8°
N5	C18	C19	C20	124.5°	120.3°
N5	C18	C19	H30	118.2°	119.8°
N5	C18	C20	H30	118.8°	120.2°
N5	C18	C19	O6	129.7°	112.9°
N5	C18	C20	C21	175.0°	65.1°
N5	C18	C20	H31	54.4°	55.0°
N5	C18	C20	H32	64.3°	175.0°
N5	C18	C19	N9	50.6°	68.3°
H29	N5	C18	C19	116.0°	30.9°
H29	N5	C18	C20	8.2°	89.4°
H29	N5	C18	H30	126.5°	150.6°
C19	C18	C20	H30	117.1°	120.1°
C18	C19	O6	N9	179.7°	178.8°
C19	C18	C20	C21	60.9°	175.2°
C19	C18	C20	H31	178.5°	64.8°
C19	C18	C20	H32	59.8°	55.3°
C18	C19	N9	C24	178.7°	172.4°
C18	C19	N9	H42	1.4°	8.2°
C19	C18	N5	C13	64.0°	148.9°
C20	C18	C19	O6	105.8°	7.4°
C18	C20	C21	H31	120.6°	120.0°
C18	C20	C21	H32	120.7°	119.9°
C18	C20	H31	H32	118.0°	120.0°
C18	C20	C21	C22	172.3°	180.0°
C18	C20	C21	H33	52.1°	60.0°
C18	C20	C21	H34	67.4°	60.0°
C20	C18	N5	C13	171.8°	90.8°
C20	C18	C19	N9	73.9°	171.4°
H30	C18	C19	O6	11.5°	127.4°
H30	C18	C20	C21	56.2°	55.1°
H30	C18	C20	H31	64.4°	175.1°
H30	C18	C20	H32	176.9°	64.8°
H30	C18	N5	C13	53.5°	29.2°
H30	C18	C19	N9	168.8°	51.5°
O6	C19	N9	C24	1.0°	8.8°
O6	C19	N9	H42	178.9°	170.6°
C21	C20	H31	H32	118.0°	120.0°
C20	C21	C22	H33	120.2°	120.0°
C20	C21	C22	H34	120.3°	120.0°
C20	C21	H33	H34	119.2°	120.0°
C20	C21	C22	N6	57.9°	180.0°
C20	C21	C22	H35	62.8°	60.0°
C20	C21	C22	H36	178.6°	60.1°
H31	C20	C21	C22	67.0°	60.0°
H31	C20	C21	H33	172.7°	NaN°
H31	C20	C21	H34	53.2°	60.0°
H32	C20	C21	C22	51.7°	60.1°
H32	C20	C21	H33	68.6°	60.0°
H32	C20	C21	H34	172.0°	180.0°
C22	C21	H33	H34	119.2°	120.0°
C21	C22	N6	H35	120.7°	120.0°
C21	C22	N6	H36	120.7°	120.0°
C21	C22	H35	H36	117.7°	120.0°
C21	C22	N6	C23	104.0°	180.0°
C21	C22	N6	H37	76.0°	0.0°
H33	C21	C22	N6	178.1°	60.0°
H33	C21	C22	H35	57.4°	180.0°
H33	C21	C22	H36	61.1°	60.0°
H34	C21	C22	N6	62.4°	60.0°
H34	C21	C22	H35	176.9°	60.0°
H34	C21	C22	H36	58.4°	180.0°
N6	C22	H35	H36	117.7°	120.0°
C22	N6	C23	H37	180.0°	180.0°
C22	N6	C23	N7	0.0°	0.0°
C22	N6	C23	N8	178.1°	180.0°
H35	C22	N6	C23	16.7°	60.0°
H35	C22	N6	H37	163.3°	120.0°
H36	C22	N6	C23	135.2°	60.0°
H36	C22	N6	H37	44.8°	120.0°
N6	C23	N7	N8	178.1°	180.0°
N6	C23	N7	H38	178.1°	0.0°
N6	C23	N7	H39	1.9°	180.0°
N6	C23	N8	H40	178.1°	180.0°
N6	C23	N8	H41	1.9°	0.0°
H37	N6	C23	N7	180.0°	180.0°
H37	N6	C23	N8	1.9°	0.0°
C23	N7	H38	H39	180.0°	180.0°
N7	C23	N8	H40	0.0°	0.0°
N7	C23	N8	H41	180.0°	180.0°
N8	C23	N7	H38	0.0°	180.0°
N8	C23	N7	H39	180.0°	0.0°
C23	N8	H40	H41	180.0°	179.9°
C24	N9	H42	C19	180.0°	179.4°
N9	C24	C25	C26	122.4°	119.9°
N9	C24	C25	H43	119.3°	120.5°
N9	C24	C26	H43	117.0°	120.4°
N9	C24	C25	O7	135.1°	5.7°
N9	C24	C26	C27	65.9°	65.0°
N9	C24	C26	H44	54.3°	55.0°
N9	C24	C26	H45	173.9°	175.0°
N9	C24	C25	N13	39.8°	174.7°
H42	N9	C24	C25	114.5°	19.0°
H42	N9	C24	C26	9.9°	100.9°
H42	N9	C24	H43	126.6°	139.2°
C25	C24	C26	H43	118.1°	119.7°
C24	C25	O7	N13	174.7°	179.6°
C25	C24	C26	C27	169.2°	175.0°
C25	C24	C26	H44	70.6°	65.0°
C25	C24	C26	H45	49.0°	55.1°
C24	C25	N13	C30	174.3°	176.4°
C24	C25	N13	H55	5.7°	4.1°
C25	C24	N9	C19	65.4°	160.3°
C26	C24	C25	O7	102.5°	125.6°
C24	C26	C27	H44	120.2°	120.0°
C24	C26	C27	H45	120.2°	120.0°
C24	C26	H44	H45	119.4°	120.0°
C24	C26	C27	C28	175.7°	180.0°
C24	C26	C27	H46	63.5°	60.0°
C24	C26	C27	H47	54.9°	60.0°
C26	C24	N9	C19	170.1°	79.7°
C26	C24	C25	N13	82.6°	54.8°
H43	C24	C25	O7	15.8°	114.8°
H43	C24	C26	C27	51.1°	55.3°
H43	C24	C26	H44	171.3°	175.3°
H43	C24	C26	H45	69.0°	64.6°
H43	C24	N9	C19	53.4°	40.2°
H43	C24	C25	N13	159.1°	64.8°
O7	C25	N13	C30	0.7°	4.0°
O7	C25	N13	H55	179.3°	175.5°
C27	C26	H44	H45	119.5°	120.0°
C26	C27	C28	H46	120.8°	120.0°
C26	C27	C28	H47	120.8°	120.0°
C26	C27	H46	H47	117.4°	120.0°
C26	C27	C28	N10	66.9°	180.0°
C26	C27	C28	H48	173.0°	60.0°
C26	C27	C28	H49	53.2°	60.0°
H44	C26	C27	C28	55.5°	60.0°
H44	C26	C27	H46	176.4°	180.0°
H44	C26	C27	H47	65.3°	60.0°
H45	C26	C27	C28	64.1°	60.0°
H45	C26	C27	H46	56.7°	60.0°
H45	C26	C27	H47	175.1°	180.0°
C28	C27	H46	H47	117.4°	120.0°
C27	C28	N10	H48	120.1°	120.0°
C27	C28	N10	H49	120.1°	119.9°
C27	C28	H48	H49	119.8°	119.9°
C27	C28	N10	C29	167.0°	180.0°
C27	C28	N10	H50	13.0°	0.0°
H46	C27	C28	N10	53.9°	60.0°
H46	C27	C28	H48	66.2°	180.0°
H46	C27	C28	H49	174.0°	60.0°
H47	C27	C28	N10	172.3°	60.0°
H47	C27	C28	H48	52.2°	60.0°
H47	C27	C28	H49	67.7°	180.0°
N10	C28	H48	H49	119.8°	120.0°
C28	N10	C29	H50	180.0°	180.0°
C28	N10	C29	N11	1.2°	0.0°
C28	N10	C29	N12	177.9°	180.0°
H48	C28	N10	C29	72.9°	60.0°
H48	C28	N10	H50	107.1°	120.0°
H49	C28	N10	C29	46.9°	60.0°
H49	C28	N10	H50	133.1°	120.0°
N10	C29	N11	N12	179.1°	180.0°
N10	C29	N11	H51	179.1°	0.1°
N10	C29	N11	H52	0.9°	180.0°
N10	C29	N12	H53	179.1°	180.0°
N10	C29	N12	H54	0.9°	0.0°
H50	N10	C29	N11	178.8°	180.0°
H50	N10	C29	N12	2.1°	0.0°
C29	N11	H51	H52	180.0°	179.9°
N11	C29	N12	H53	0.0°	0.0°
N11	C29	N12	H54	180.0°	180.0°
N12	C29	N11	H51	0.0°	179.9°
N12	C29	N11	H52	180.0°	0.0°
C29	N12	H53	H54	180.0°	180.0°
C30	N13	H55	C25	180.0°	179.5°
N13	C30	C31	C32	119.5°	119.4°
N13	C30	C31	H56	120.2°	120.0°
N13	C30	C32	H56	120.4°	120.7°
N13	C30	C31	O8	126.9°	21.4°
N13	C30	C32	C33	71.1°	175.0°
N13	C30	C32	C34	171.9°	65.0°
N13	C30	C32	H57	50.2°	55.0°
N13	C30	C31	N14	45.5°	158.7°
H55	N13	C30	C31	116.9°	62.4°
H55	N13	C30	C32	3.5°	57.1°
H55	N13	C30	H56	123.4°	177.8°
C31	C30	C32	H56	120.4°	120.5°
C30	C31	O8	N14	172.0°	179.9°
C31	C30	C32	C33	169.7°	66.1°
C31	C30	C32	C34	52.7°	53.9°
C31	C30	C32	H57	69.0°	173.9°
C30	C31	N14	C36	179.5°	179.8°
C30	C31	N14	H66	0.5°	0.0°
C31	C30	N13	C25	63.1°	118.1°
C32	C30	C31	O8	113.6°	98.0°
C30	C32	C33	C34	117.8°	120.0°
C30	C32	C33	H57	121.4°	120.0°
C30	C32	C34	H57	122.2°	120.0°
C30	C32	C33	C35	170.0°	175.0°
C30	C32	C33	H58	69.4°	65.0°
C30	C32	C33	H59	49.3°	55.0°
C30	C32	C34	H60	180.0°	180.0°
C30	C32	C34	H61	60.0°	59.9°
C30	C32	C34	H62	60.0°	60.0°
C32	C30	N13	C25	176.5°	122.4°
C32	C30	C31	N14	74.0°	81.9°
H56	C30	C31	O8	6.7°	141.4°
H56	C30	C32	C33	49.3°	54.3°
H56	C30	C32	C34	67.7°	174.4°
H56	C30	C32	H57	170.6°	65.6°
H56	C30	N13	C25	56.6°	1.7°
H56	C30	C31	N14	165.7°	38.7°
O8	C31	N14	C36	8.1°	0.1°
O8	C31	N14	H66	171.8°	179.9°
C33	C32	C34	H57	121.2°	119.9°
C32	C33	C35	H58	120.7°	120.1°
C32	C33	C35	H59	120.7°	120.0°
C32	C33	H58	H59	117.9°	120.0°
C33	C32	C34	H60	63.4°	59.9°
C33	C32	C34	H61	176.7°	180.0°
C33	C32	C34	H62	56.6°	60.0°
C32	C33	C35	H63	180.0°	180.0°
C32	C33	C35	H64	60.0°	60.0°
C32	C33	C35	H65	60.0°	60.0°
C34	C32	C33	C35	72.2°	65.0°
C34	C32	C33	H58	48.4°	55.0°
C34	C32	C33	H59	167.1°	175.0°
C32	C34	H60	H61	120.0°	120.0°
C32	C34	H60	H62	120.0°	120.0°
C32	C34	H61	H62	120.0°	120.0°
H57	C32	C33	C35	48.6°	55.0°
H57	C32	C33	H58	169.2°	175.0°
H57	C32	C33	H59	72.1°	65.0°
H57	C32	C34	H60	57.8°	60.0°
H57	C32	C34	H61	62.1°	60.1°
H57	C32	C34	H62	177.8°	179.9°
C35	C33	H58	H59	117.9°	119.9°
C33	C35	H63	H64	120.0°	120.0°
C33	C35	H63	H65	120.0°	120.0°
C33	C35	H64	H65	120.0°	119.9°
H58	C33	C35	H63	59.3°	60.0°
H58	C33	C35	H64	179.3°	180.0°
H58	C33	C35	H65	60.6°	60.1°
H59	C33	C35	H63	59.3°	59.9°
H59	C33	C35	H64	60.6°	60.1°
H59	C33	C35	H65	179.3°	180.0°
H60	C34	H61	H62	120.0°	119.9°
H63	C35	H64	H65	120.0°	120.0°
C36	N14	H66	C31	180.0°	179.8°
N14	C36	C37	H67	120.5°	119.7°
N14	C36	C37	H68	120.5°	119.8°
N14	C36	H67	H68	118.5°	120.6°
N14	C36	C37	O9	136.7°	11.3°
N14	C36	C37	N15	42.2°	168.4°
H66	N14	C36	C37	120.3°	29.5°
H66	N14	C36	H67	119.2°	90.1°
H66	N14	C36	H68	0.2°	149.3°
C37	C36	H67	H68	118.5°	120.3°
C36	C37	O9	N15	178.8°	179.7°
C36	C37	N15	C38	177.3°	179.0°
C36	C37	N15	H69	2.7°	1.0°
C37	C36	N14	C31	59.7°	150.6°
H67	C36	C37	O9	16.2°	108.4°
H67	C36	N14	C31	60.8°	89.7°
H67	C36	C37	N15	162.7°	71.9°
H68	C36	C37	O9	102.8°	131.2°
H68	C36	N14	C31	179.8°	30.9°
H68	C36	C37	N15	78.3°	48.5°
O9	C37	N15	C38	1.6°	1.3°
O9	C37	N15	H69	178.4°	178.7°
C38	N15	H69	C37	180.0°	180.0°
N15	C38	C39	C40	121.6°	119.6°
N15	C38	C39	H70	121.3°	120.3°
N15	C38	C40	H70	117.7°	120.5°
N15	C38	C39	O10	150.3°	25.6°
N15	C38	C40	C41	76.2°	56.4°
N15	C38	C40	H71	44.1°	176.4°
N15	C38	C40	H72	163.4°	63.6°
N15	C38	C39	N16	30.8°	154.2°
H69	N15	C38	C39	109.6°	28.7°
H69	N15	C38	C40	12.0°	90.7°
H69	N15	C38	H70	129.3°	148.9°
C39	C38	C40	H70	117.2°	120.3°
C38	C39	O10	N16	178.8°	179.8°
C39	C38	C40	C41	158.7°	62.9°
C39	C38	C40	H71	81.0°	57.1°
C39	C38	C40	H72	38.3°	177.1°
C38	C39	N16	C42	172.0°	177.2°
C38	C39	N16	H74	8.0°	3.1°
C39	C38	N15	C37	70.4°	151.3°
C40	C38	C39	O10	88.0°	94.0°
C38	C40	C41	H71	120.4°	120.1°
C38	C40	C41	H72	120.4°	120.0°
C38	C40	H71	H72	118.8°	120.0°
C38	C40	C41	O11	14.4°	6.4°
C38	C40	C41	O12	165.4°	173.5°
C40	C38	N15	C37	168.0°	89.3°
C40	C38	C39	N16	90.8°	86.2°
H70	C38	C39	O10	29.0°	145.9°
H70	C38	C40	C41	41.5°	176.9°
H70	C38	C40	H71	161.9°	63.1°
H70	C38	C40	H72	78.9°	56.9°
H70	C38	N15	C37	50.7°	31.1°
H70	C38	C39	N16	152.1°	34.0°
O10	C39	N16	C42	9.2°	2.9°
O10	C39	N16	H74	170.8°	176.7°
C41	C40	H71	H72	118.9°	120.0°
C40	C41	O11	O12	179.8°	180.0°
C40	C41	O12	H73	179.8°	180.0°
H71	C40	C41	O11	134.8°	126.5°
H71	C40	C41	O12	45.0°	53.5°
H72	C40	C41	O11	105.9°	113.6°
H72	C40	C41	O12	74.3°	66.5°
O11	C41	O12	H73	0.0°	0.0°
C42	N16	H74	C39	180.0°	179.6°
N16	C42	C43	C44	119.7°	119.7°
N16	C42	C43	H75	121.2°	120.4°
N16	C42	C44	H75	118.8°	120.3°
N16	C42	C43	O13	129.7°	20.0°
N16	C42	C44	S2	174.9°	161.9°
N16	C42	C44	H76	54.6°	41.9°
N16	C42	C44	H77	64.8°	78.1°
N16	C42	C43	N17	47.5°	160.0°
H74	N16	C42	C43	117.6°	84.7°
H74	N16	C42	C44	2.9°	34.9°
H74	N16	C42	H75	121.6°	155.0°
C43	C42	C44	H75	118.9°	120.0°
C42	C43	O13	N17	177.1°	180.0°
C43	C42	C44	S2	62.7°	78.4°
C43	C42	C44	H76	177.0°	161.6°
C43	C42	C44	H77	57.6°	41.7°
C42	C43	N17	C45	173.1°	180.0°
C42	C43	N17	H78	6.9°	0.1°
C43	C42	N16	C39	62.4°	95.6°
C44	C42	C43	O13	110.6°	99.8°
C42	C44	S2	H76	120.3°	120.0°
C42	C44	S2	H77	120.3°	120.1°
C42	C44	H76	H77	119.1°	120.0°
C44	C42	N16	C39	177.1°	144.8°
C44	C42	C43	N17	72.1°	80.2°
C42	C44	S2	C93	112.4°	163.2°
H75	C42	C43	O13	8.5°	140.4°
H75	C42	C44	S2	56.2°	41.5°
H75	C42	C44	H76	64.1°	78.4°
H75	C42	C44	H77	176.5°	161.6°
H75	C42	N16	C39	58.5°	24.6°
H75	C42	C43	N17	168.8°	39.7°
O13	C43	N17	C45	4.1°	0.0°
O13	C43	N17	H78	175.9°	179.9°
S2	C44	H76	H77	119.1°	120.0°
C44	S2	C93	C94	50.1°	93.6°
C44	S2	C93	H168	2.0°	25.6°
C44	S2	C93	H169	2.0°	146.0°
H76	C44	S2	C93	7.9°	76.8°
H77	C44	S2	C93	127.3°	43.1°
C45	N17	H78	C43	180.0°	179.9°
N17	C45	C46	C47	119.3°	120.0°
N17	C45	C46	H79	121.2°	120.0°
N17	C45	C47	H79	120.5°	120.0°
N17	C45	C46	O14	137.0°	0.0°
N17	C45	C47	C48	172.3°	60.0°
N17	C45	C47	C49	60.7°	60.0°
N17	C45	C47	H80	56.1°	180.0°
N17	C45	C46	N18	42.6°	180.0°
H78	N17	C45	C46	121.4°	25.0°
H78	N17	C45	C47	2.1°	94.9°
H78	N17	C45	H79	117.7°	145.0°
C46	C45	C47	H79	119.9°	120.0°
C45	C46	O14	N18	179.5°	179.9°
C46	C45	C47	C48	52.6°	180.0°
C46	C45	C47	C49	179.6°	60.0°
C46	C45	C47	H80	63.6°	60.0°
C45	C46	N18	C50	176.6°	175.0°
C45	C46	N18	H87	3.4°	5.0°
C46	C45	N17	C43	58.6°	155.0°
C47	C45	C46	O14	103.7°	120.0°
C45	C47	C48	C49	127.2°	120.0°
C45	C47	C48	H80	116.1°	120.0°
C45	C47	C49	H80	116.4°	120.0°
C45	C47	C48	H81	180.0°	60.0°
C45	C47	C48	H82	60.0°	180.0°
C45	C47	C48	H83	60.0°	60.0°
C45	C47	C49	H84	180.0°	60.0°
C45	C47	C49	H85	60.0°	180.0°
C45	C47	C49	H86	60.0°	60.0°
C47	C45	N17	C43	177.9°	85.0°
C47	C45	C46	N18	76.7°	60.0°
H79	C45	C46	O14	15.7°	120.0°
H79	C45	C47	C48	67.3°	60.0°
H79	C45	C47	C49	59.8°	180.0°
H79	C45	C47	H80	176.5°	60.0°
H79	C45	N17	C43	62.3°	35.0°
H79	C45	C46	N18	163.8°	60.0°
O14	C46	N18	C50	3.9°	4.9°
O14	C46	N18	H87	176.1°	175.1°
C48	C47	C49	H80	116.5°	120.0°
C47	C48	H81	H82	120.0°	120.0°
C47	C48	H81	H83	120.0°	120.0°
C47	C48	H82	H83	120.0°	120.0°
C48	C47	C49	H84	52.9°	179.9°
C48	C47	C49	H85	67.1°	60.0°
C48	C47	C49	H86	172.9°	60.0°
C49	C47	C48	H81	52.9°	60.0°
C49	C47	C48	H82	172.8°	60.0°
C49	C47	C48	H83	67.2°	180.0°
C47	C49	H84	H85	120.0°	120.0°
C47	C49	H84	H86	120.0°	120.0°
C47	C49	H85	H86	120.0°	120.0°
H80	C47	C48	H81	63.9°	180.0°
H80	C47	C48	H82	56.1°	60.0°
H80	C47	C48	H83	176.1°	60.0°
H80	C47	C49	H84	63.6°	60.0°
H80	C47	C49	H85	176.4°	60.0°
H80	C47	C49	H86	56.4°	180.0°
H81	C48	H82	H83	120.0°	120.0°
H84	C49	H85	H86	120.0°	120.1°
C50	N18	H87	C46	180.0°	180.0°
N18	C50	C51	C52	119.3°	120.0°
N18	C50	C51	H88	121.7°	120.0°
N18	C50	C52	H88	121.4°	120.0°
N18	C50	C51	O15	134.1°	0.1°
N18	C50	C52	C53	158.2°	63.4°
N18	C50	C52	H89	37.8°	56.6°
N18	C50	C52	H90	81.4°	176.6°
N18	C50	C51	N20	49.1°	180.0°
H87	N18	C50	C51	113.4°	98.1°
H87	N18	C50	C52	4.6°	21.9°
H87	N18	C50	H88	125.5°	141.9°
C51	C50	C52	H88	119.1°	120.0°
C50	C51	O15	N20	176.5°	179.9°
C51	C50	C52	C53	82.3°	176.6°
C51	C50	C52	H89	157.3°	63.4°
C51	C50	C52	H90	38.1°	56.6°
C50	C51	N20	C54	178.3°	180.0°
C50	C51	N20	H93	1.7°	0.1°
C51	C50	N18	C46	66.6°	81.9°
C52	C50	C51	O15	106.6°	120.0°
C50	C52	C53	H89	120.4°	120.0°
C50	C52	C53	H90	120.4°	120.0°
C50	C52	H89	H90	118.8°	120.0°
C50	C52	C53	O16	62.9°	4.8°
C50	C52	C53	N19	114.9°	175.2°
C52	C50	N18	C46	175.4°	158.1°
C52	C50	C51	N20	70.2°	60.0°
H88	C50	C51	O15	12.4°	119.9°
H88	C50	C52	C53	36.7°	56.6°
H88	C50	C52	H89	83.7°	176.6°
H88	C50	C52	H90	157.2°	63.4°
H88	C50	N18	C46	54.5°	38.1°
H88	C50	C51	N20	170.8°	60.0°
O15	C51	N20	C54	4.9°	0.1°
O15	C51	N20	H93	175.1°	180.0°
C53	C52	H89	H90	118.8°	120.0°
C52	C53	O16	N19	177.6°	180.0°
C52	C53	N19	H91	177.7°	0.0°
C52	C53	N19	H92	2.3°	180.0°
H89	C52	C53	O16	57.5°	115.3°
H89	C52	C53	N19	124.8°	64.8°
H90	C52	C53	O16	176.7°	124.8°
H90	C52	C53	N19	5.6°	55.2°
O16	C53	N19	H91	0.0°	180.0°
O16	C53	N19	H92	180.0°	0.0°
C53	N19	H91	H92	180.0°	180.0°
C54	N20	H93	C51	180.0°	179.9°
N20	C54	C55	C56	128.1°	119.9°
N20	C54	C55	H94	116.0°	120.1°
N20	C54	C56	H94	115.6°	120.0°
N20	C54	C55	O17	128.0°	0.1°
N20	C54	C56	C57	178.1°	65.0°
N20	C54	C56	H95	61.1°	55.0°
N20	C54	C56	H96	57.3°	175.0°
N20	C54	C55	N21	48.5°	180.0°
H93	N20	C54	C55	122.9°	24.9°
H93	N20	C54	C56	6.2°	95.1°
H93	N20	C54	H94	121.5°	145.0°
C55	C54	C56	H94	115.8°	120.0°
C54	C55	O17	N21	176.4°	179.9°
C55	C54	C56	C57	49.6°	175.0°
C55	C54	C56	H95	170.4°	65.0°
C55	C54	C56	H96	71.2°	55.0°
C54	C55	N21	C60	173.3°	179.9°
C54	C55	N21	H104	6.7°	0.0°
C55	C54	N20	C51	57.1°	155.0°
C56	C54	C55	O17	103.8°	120.1°
C54	C56	C57	H95	120.9°	120.0°
C54	C56	C57	H96	120.8°	120.0°
C54	C56	H95	H96	117.4°	120.0°
C54	C56	C57	C58	57.1°	175.0°
C54	C56	C57	C59	177.5°	65.0°
C54	C56	C57	H97	61.1°	55.0°
C56	C54	N20	C51	173.8°	85.1°
C56	C54	C55	N21	79.6°	60.0°
H94	C54	C55	O17	12.0°	120.0°
H94	C54	C56	C57	66.3°	55.0°
H94	C54	C56	H95	54.6°	175.0°
H94	C54	C56	H96	172.9°	65.0°
H94	C54	N20	C51	58.5°	34.9°
H94	C54	C55	N21	164.5°	59.9°
O17	C55	N21	C60	3.1°	0.0°
O17	C55	N21	H104	176.9°	179.9°
C57	C56	H95	H96	117.3°	120.0°
C56	C57	C58	C59	125.1°	120.0°
C56	C57	C58	H97	118.0°	120.0°
C56	C57	C59	H97	116.3°	120.0°
C56	C57	C58	H98	180.0°	60.0°
C56	C57	C58	H99	60.0°	180.0°
C56	C57	C58	H100	60.0°	60.0°
C56	C57	C59	H101	180.0°	60.0°
C56	C57	C59	H102	60.0°	60.0°
C56	C57	C59	H103	60.0°	180.0°
H95	C56	C57	C58	63.7°	55.0°
H95	C56	C57	C59	61.6°	175.0°
H95	C56	C57	H97	178.0°	65.0°
H96	C56	C57	C58	178.0°	65.0°
H96	C56	C57	C59	56.7°	55.0°
H96	C56	C57	H97	59.7°	175.0°
C58	C57	C59	H97	117.0°	120.0°
C57	C58	H98	H99	120.0°	120.0°
C57	C58	H98	H100	120.0°	120.0°
C57	C58	H99	H100	120.0°	120.0°
C58	C57	C59	H101	53.3°	60.0°
C58	C57	C59	H102	66.7°	180.0°
C58	C57	C59	H103	173.3°	60.0°
C59	C57	C58	H98	54.9°	60.0°
C59	C57	C58	H99	174.9°	60.0°
C59	C57	C58	H100	65.1°	180.0°
C57	C59	H101	H102	120.0°	120.0°
C57	C59	H101	H103	120.0°	120.0°
C57	C59	H102	H103	120.0°	120.0°
H97	C57	C58	H98	62.0°	180.0°
H97	C57	C58	H99	58.0°	60.0°
H97	C57	C58	H100	178.0°	60.0°
H97	C57	C59	H101	63.7°	180.0°
H97	C57	C59	H102	176.3°	60.0°
H97	C57	C59	H103	56.3°	60.0°
H98	C58	H99	H100	120.0°	120.0°
H101	C59	H102	H103	120.0°	120.1°
C60	N21	H104	C55	180.0°	179.9°
N21	C60	C61	C62	124.1°	120.0°
N21	C60	C61	H105	119.2°	120.0°
N21	C60	C62	H105	118.8°	120.0°
N21	C60	C61	O18	129.9°	0.1°
N21	C60	C62	C63	172.7°	65.0°
N21	C60	C62	H106	52.0°	55.0°
N21	C60	C62	H107	66.5°	175.0°
N21	C60	C61	N25	49.0°	180.0°
H104	N21	C60	C61	129.9°	25.1°
H104	N21	C60	C62	7.0°	94.9°
H104	N21	C60	H105	111.3°	145.1°
C61	C60	C62	H105	116.8°	120.0°
C60	C61	O18	N25	178.9°	179.9°
C61	C60	C62	C63	62.8°	175.0°
C61	C60	C62	H106	176.4°	65.0°
C61	C60	C62	H107	57.9°	55.0°
C60	C61	N25	C66	178.1°	180.0°
C60	C61	N25	H117	1.9°	0.1°
C61	C60	N21	C55	50.1°	155.0°
C62	C60	C61	O18	106.0°	120.0°
C60	C62	C63	H106	120.8°	120.0°
C60	C62	C63	H107	120.8°	120.0°
C60	C62	H106	H107	117.7°	120.0°
C60	C62	C63	C64	82.3°	180.0°
C60	C62	C63	H108	157.8°	60.0°
C60	C62	C63	H109	37.7°	60.0°
C62	C60	N21	C55	173.0°	85.0°
C62	C60	C61	N25	75.1°	59.9°
H105	C60	C61	O18	10.7°	120.0°
H105	C60	C62	C63	53.9°	55.0°
H105	C60	C62	H106	66.8°	175.0°
H105	C60	C62	H107	174.7°	65.0°
H105	C60	N21	C55	68.7°	35.0°
H105	C60	C61	N25	168.2°	60.1°
O18	C61	N25	C66	2.9°	0.1°
O18	C61	N25	H117	177.0°	180.0°
C63	C62	H106	H107	117.7°	120.1°
C62	C63	C64	H108	120.0°	120.0°
C62	C63	C64	H109	120.0°	120.0°
C62	C63	H108	H109	120.0°	120.1°
C62	C63	C64	N22	174.9°	180.0°
C62	C63	C64	H110	54.2°	60.1°
C62	C63	C64	H111	64.2°	60.0°
H106	C62	C63	C64	38.5°	60.0°
H106	C62	C63	H108	81.5°	180.0°
H106	C62	C63	H109	158.5°	59.9°
H107	C62	C63	C64	157.0°	60.0°
H107	C62	C63	H108	37.0°	59.9°
H107	C62	C63	H109	83.0°	NaN°
C64	C63	H108	H109	120.0°	120.0°
C63	C64	N22	H110	120.8°	120.0°
C63	C64	N22	H111	120.8°	120.0°
C63	C64	H110	H111	117.5°	120.1°
C63	C64	N22	C65	123.7°	180.0°
C63	C64	N22	H112	56.3°	0.0°
H108	C63	C64	N22	65.1°	60.0°
H108	C63	C64	H110	174.2°	180.0°
H108	C63	C64	H111	55.8°	60.0°
H109	C63	C64	N22	54.9°	60.0°
H109	C63	C64	H110	65.9°	59.9°
H109	C63	C64	H111	175.8°	180.0°
N22	C64	H110	H111	117.5°	119.9°
C64	N22	C65	H112	180.0°	180.0°
C64	N22	C65	N23	0.2°	0.0°
C64	N22	C65	N24	179.6°	180.0°
H110	C64	N22	C65	2.9°	60.0°
H110	C64	N22	H112	177.1°	120.0°
H111	C64	N22	C65	115.4°	60.0°
H111	C64	N22	H112	64.5°	120.0°
N22	C65	N23	N24	179.4°	180.0°
N22	C65	N23	H113	179.4°	0.0°
N22	C65	N23	H114	0.6°	180.0°
N22	C65	N24	H115	179.4°	0.0°
N22	C65	N24	H116	0.6°	180.0°
H112	N22	C65	N23	179.8°	180.0°
H112	N22	C65	N24	0.4°	0.0°
C65	N23	H113	H114	180.0°	180.0°
N23	C65	N24	H115	0.0°	180.0°
N23	C65	N24	H116	180.0°	0.0°
N24	C65	N23	H113	0.0°	180.0°
N24	C65	N23	H114	180.0°	0.0°
C65	N24	H115	H116	180.0°	180.0°
C66	N25	H117	C61	180.0°	179.9°
N25	C66	C67	C68	126.3°	120.0°
N25	C66	C67	H118	117.8°	120.0°
N25	C66	C68	H118	117.8°	120.0°
N25	C66	C67	O19	141.4°	0.1°
N25	C66	C68	C69	173.8°	65.0°
N25	C66	C68	H119	53.3°	55.0°
N25	C66	C68	H120	65.8°	175.0°
N25	C66	C67	N27	36.9°	180.0°
H117	N25	C66	C67	112.9°	25.0°
H117	N25	C66	C68	12.4°	95.0°
H117	N25	C66	H118	129.7°	145.0°
C67	C66	C68	H118	115.9°	120.0°
C66	C67	O19	N27	178.3°	180.0°
C67	C66	C68	C69	60.0°	175.0°
C67	C66	C68	H119	179.5°	65.0°
C67	C66	C68	H120	60.5°	55.0°
C66	C67	N27	C71	177.2°	179.9°
C66	C67	N27	H125	2.8°	0.0°
C67	C66	N25	C61	67.1°	155.1°
C68	C66	C67	O19	92.3°	120.0°
C66	C68	C69	H119	120.4°	120.0°
C66	C68	C69	H120	120.5°	120.0°
C66	C68	H119	H120	118.6°	120.0°
C66	C68	C69	C70	71.5°	180.0°
C66	C68	C69	H121	168.2°	60.0°
C66	C68	C69	H122	48.7°	60.0°
C68	C66	N25	C61	167.6°	85.0°
C68	C66	C67	N27	89.4°	60.0°
H118	C66	C67	O19	23.7°	120.0°
H118	C66	C68	C69	55.9°	55.0°
H118	C66	C68	H119	64.5°	175.0°
H118	C66	C68	H120	176.4°	65.0°
H118	C66	N25	C61	50.3°	35.0°
H118	C66	C67	N27	154.7°	60.0°
O19	C67	N27	C71	1.1°	0.0°
O19	C67	N27	H125	178.9°	179.9°
C69	C68	H119	H120	118.6°	119.9°
C68	C69	C70	H121	120.3°	120.0°
C68	C69	C70	H122	120.2°	120.0°
C68	C69	H121	H122	119.1°	119.9°
C68	C69	C70	O20	32.8°	0.0°
C68	C69	C70	N26	146.4°	180.0°
H119	C68	C69	C70	48.9°	60.0°
H119	C68	C69	H121	71.4°	180.0°
H119	C68	C69	H122	169.2°	60.1°
H120	C68	C69	C70	168.0°	60.0°
H120	C68	C69	H121	47.7°	60.1°
H120	C68	C69	H122	71.7°	180.0°
C70	C69	H121	H122	119.2°	120.0°
C69	C70	O20	N26	179.2°	179.9°
C69	C70	N26	H123	179.3°	0.1°
C69	C70	N26	H124	0.7°	180.0°
H121	C69	C70	O20	87.5°	120.0°
H121	C69	C70	N26	93.3°	60.0°
H122	C69	C70	O20	153.1°	120.0°
H122	C69	C70	N26	26.2°	60.0°
O20	C70	N26	H123	0.0°	180.0°
O20	C70	N26	H124	180.0°	0.1°
C70	N26	H123	H124	180.0°	179.9°
C71	N27	H125	C67	180.0°	179.9°
N27	C71	C72	C73	125.6°	120.0°
N27	C71	C72	H126	117.3°	120.0°
N27	C71	C73	H126	120.2°	120.0°
N27	C71	C72	O21	146.6°	0.0°
N27	C71	C73	C74	70.8°	65.0°
N27	C71	C73	H127	50.2°	55.0°
N27	C71	C73	H128	168.3°	175.0°
N27	C71	C72	N29	32.2°	179.9°
H125	N27	C71	C72	114.6°	25.0°
H125	N27	C71	C73	8.8°	95.0°
H125	N27	C71	H126	128.5°	145.1°
C72	C71	C73	H126	117.2°	120.0°
C71	C72	O21	N29	178.8°	179.9°
C72	C71	C73	C74	166.6°	175.0°
C72	C71	C73	H127	72.4°	65.0°
C72	C71	C73	H128	45.7°	55.0°
C71	C72	N29	C77	178.0°	180.0°
C71	C72	N29	H138	2.1°	0.1°
C72	C71	N27	C67	65.4°	155.0°
C73	C71	C72	O21	87.8°	120.0°
C71	C73	C74	H127	120.9°	120.0°
C71	C73	C74	H128	120.9°	120.0°
C71	C73	H127	H128	117.1°	120.0°
C71	C73	C74	C75	143.7°	180.0°
C71	C73	C74	H129	95.9°	60.0°
C71	C73	C74	H130	23.3°	60.0°
C73	C71	N27	C67	171.2°	85.0°
C73	C71	C72	N29	93.3°	60.0°
H126	C71	C72	O21	29.3°	120.0°
H126	C71	C73	C74	49.4°	55.0°
H126	C71	C73	H127	170.4°	175.0°
H126	C71	C73	H128	71.5°	65.0°
H126	C71	N27	C67	51.5°	35.0°
H126	C71	C72	N29	149.6°	60.0°
O21	C72	N29	C77	0.9°	0.0°
O21	C72	N29	H138	179.1°	180.0°
C74	C73	H127	H128	117.1°	120.0°
C73	C74	C75	H129	120.3°	120.1°
C73	C74	C75	H130	120.3°	119.9°
C73	C74	H129	H130	118.9°	120.0°
C73	C74	C75	C76	85.9°	NaN°
C73	C74	C75	H131	153.7°	59.9°
C73	C74	C75	H132	34.6°	60.0°
H127	C73	C74	C75	22.8°	60.0°
H127	C73	C74	H129	143.1°	180.0°
H127	C73	C74	H130	97.6°	60.0°
H128	C73	C74	C75	95.4°	60.1°
H128	C73	C74	H129	25.0°	60.0°
H128	C73	C74	H130	144.3°	180.0°
C75	C74	H129	H130	119.0°	120.0°
C74	C75	C76	H131	120.5°	120.0°
C74	C75	C76	H132	120.4°	119.9°
C74	C75	H131	H132	118.6°	119.9°
C74	C75	C76	N28	165.9°	180.0°
C74	C75	C76	H133	74.2°	60.0°
C74	C75	C76	H134	46.0°	60.0°
H129	C74	C75	C76	34.5°	59.9°
H129	C74	C75	H131	86.0°	180.0°
H129	C74	C75	H132	154.9°	60.0°
H130	C74	C75	C76	153.8°	60.1°
H130	C74	C75	H131	33.4°	60.0°
H130	C74	C75	H132	85.7°	180.0°
C76	C75	H131	H132	118.6°	120.0°
C75	C76	N28	H133	119.9°	120.0°
C75	C76	N28	H134	120.0°	120.0°
C75	C76	H133	H134	120.2°	120.0°
C75	C76	N28	H135	180.0°	60.0°
C75	C76	N28	H136	60.0°	60.0°
C75	C76	N28	H137	60.0°	180.0°
H131	C75	C76	N28	45.4°	60.0°
H131	C75	C76	H133	165.4°	180.0°
H131	C75	C76	H134	74.5°	60.0°
H132	C75	C76	N28	73.7°	60.0°
H132	C75	C76	H133	46.3°	59.9°
H132	C75	C76	H134	166.4°	179.9°
N28	C76	H133	H134	120.2°	120.1°
C76	N28	H135	H136	120.0°	120.1°
C76	N28	H135	H137	120.0°	120.0°
C76	N28	H136	H137	120.0°	120.0°
H133	C76	N28	H135	60.1°	180.0°
H133	C76	N28	H136	179.9°	60.0°
H133	C76	N28	H137	59.9°	60.0°
H134	C76	N28	H135	60.0°	59.9°
H134	C76	N28	H136	59.9°	180.0°
H134	C76	N28	H137	179.9°	60.0°
H135	N28	H136	H137	120.0°	119.9°
C77	N29	H138	C72	180.0°	179.9°
N29	C77	C78	C79	123.0°	120.0°
N29	C77	C78	H139	118.8°	120.0°
N29	C77	C79	H139	120.5°	120.0°
N29	C77	C78	O22	135.9°	0.0°
N29	C77	C79	C80	77.0°	65.0°
N29	C77	C79	H140	44.3°	55.0°
N29	C77	C79	H141	161.8°	175.0°
N29	C77	C78	N30	42.8°	180.0°
H138	N29	C77	C78	114.3°	25.0°
H138	N29	C77	C79	7.1°	95.1°
H138	N29	C77	H139	127.2°	144.9°
C78	C77	C79	H139	118.3°	120.0°
C77	C78	O22	N30	178.6°	179.9°
C78	C77	C79	C80	161.9°	175.0°
C78	C77	C79	H140	76.9°	65.0°
C78	C77	C79	H141	40.6°	55.0°
C77	C78	N30	C83	176.2°	175.0°
C77	C78	N30	H149	3.8°	5.0°
C78	C77	N29	C72	65.7°	154.9°
C79	C77	C78	O22	101.1°	120.0°
C77	C79	C80	H140	121.3°	120.0°
C77	C79	C80	H141	121.2°	120.0°
C77	C79	H140	H141	116.0°	120.0°
C77	C79	C80	C81	176.2°	175.0°
C77	C79	C80	C82	59.6°	65.0°
C77	C79	C80	H142	58.4°	55.0°
C79	C77	N29	C72	172.9°	85.0°
C79	C77	C78	N30	80.2°	60.0°
H139	C77	C78	O22	17.1°	120.0°
H139	C77	C79	C80	43.5°	55.0°
H139	C77	C79	H140	164.8°	175.0°
H139	C77	C79	H141	77.7°	65.0°
H139	C77	N29	C72	52.7°	35.0°
H139	C77	C78	N30	161.6°	60.0°
O22	C78	N30	C83	2.5°	5.0°
O22	C78	N30	H149	177.5°	175.0°
C80	C79	H140	H141	116.0°	120.0°
C79	C80	C81	C82	125.0°	120.0°
C79	C80	C81	H142	117.8°	120.0°
C79	C80	C82	H142	117.9°	120.0°
C79	C80	C81	H143	180.0°	60.0°
C79	C80	C81	H144	60.0°	180.0°
C79	C80	C81	H145	60.0°	60.0°
C79	C80	C82	H146	180.0°	60.0°
C79	C80	C82	H147	60.0°	179.9°
C79	C80	C82	H148	60.0°	60.0°
H140	C79	C80	C81	54.9°	55.0°
H140	C79	C80	C82	179.2°	175.0°
H140	C79	C80	H142	62.9°	65.0°
H141	C79	C80	C81	62.6°	65.0°
H141	C79	C80	C82	61.7°	55.0°
H141	C79	C80	H142	179.6°	175.0°
C81	C80	C82	H142	117.3°	120.0°
C80	C81	H143	H144	120.0°	120.0°
C80	C81	H143	H145	120.0°	120.0°
C80	C81	H144	H145	120.0°	120.0°
C81	C80	C82	H146	55.2°	180.0°
C81	C80	C82	H147	64.8°	60.0°
C81	C80	C82	H148	175.2°	60.0°
C82	C80	C81	H143	55.0°	60.0°
C82	C80	C81	H144	175.0°	60.0°
C82	C80	C81	H145	65.0°	180.0°
C80	C82	H146	H147	120.0°	120.0°
C80	C82	H146	H148	120.0°	120.0°
C80	C82	H147	H148	120.0°	119.9°
H142	C80	C81	H143	62.2°	180.0°
H142	C80	C81	H144	57.8°	60.0°
H142	C80	C81	H145	177.8°	60.0°
H142	C80	C82	H146	62.1°	60.0°
H142	C80	C82	H147	177.9°	60.0°
H142	C80	C82	H148	57.9°	180.0°
H143	C81	H144	H145	120.0°	120.0°
H146	C82	H147	H148	120.0°	120.1°
C83	N30	H149	C78	180.0°	180.0°
N30	C83	C84	C85	125.3°	120.0°
N30	C83	C84	H150	119.5°	119.9°
N30	C83	C85	H150	117.5°	119.9°
N30	C83	C84	O23	145.9°	7.0°
N30	C83	C85	C86	72.2°	172.2°
N30	C83	C85	H151	49.1°	52.2°
N30	C83	C85	H152	166.4°	67.9°
N30	C83	C84	N31	36.3°	173.0°
H149	N30	C83	C84	116.5°	21.6°
H149	N30	C83	C85	7.4°	98.4°
H149	N30	C83	H150	124.4°	141.6°
C84	C83	C85	H150	115.3°	120.1°
C83	C84	O23	N31	177.6°	180.0°
C84	C83	C85	C86	160.5°	67.8°
C84	C83	C85	H151	78.1°	172.2°
C84	C83	C85	H152	39.2°	52.1°
C83	C84	N31	C89	175.6°	174.7°
C83	C84	N31	H160	4.4°	5.3°
C84	C83	N30	C78	63.5°	158.4°
C85	C83	C84	O23	88.8°	113.0°
C83	C85	C86	H151	121.3°	120.0°
C83	C85	C86	H152	121.3°	119.9°
C83	C85	H151	H152	115.7°	120.0°
C83	C85	C86	C87	174.9°	66.5°
C83	C85	C86	C88	65.3°	173.5°
C83	C85	C86	H153	55.3°	53.5°
C85	C83	N30	C78	172.5°	81.6°
C85	C83	C84	N31	89.0°	67.0°
H150	C83	C84	O23	26.4°	126.9°
H150	C83	C85	C86	45.3°	52.2°
H150	C83	C85	H151	166.6°	67.7°
H150	C83	C85	H152	76.1°	172.2°
H150	C83	N30	C78	55.6°	38.4°
H150	C83	C84	N31	155.8°	53.1°
O23	C84	N31	C89	2.0°	5.3°
O23	C84	N31	H160	178.0°	174.7°
C86	C85	H151	H152	115.7°	120.0°
C85	C86	C87	C88	120.0°	120.0°
C85	C86	C87	H153	119.8°	120.0°
C85	C86	C88	H153	120.8°	120.0°
C85	C86	C87	H154	180.0°	174.7°
C85	C86	C87	H155	60.0°	65.2°
C85	C86	C87	H156	60.0°	54.7°
C85	C86	C88	H157	180.0°	60.0°
C85	C86	C88	H158	60.0°	180.0°
C85	C86	C88	H159	60.0°	60.0°
H151	C85	C86	C87	53.6°	53.5°
H151	C85	C86	C88	173.4°	66.5°
H151	C85	C86	H153	66.0°	173.5°
H152	C85	C86	C87	63.8°	173.6°
H152	C85	C86	C88	56.1°	53.6°
H152	C85	C86	H153	176.6°	66.4°
C87	C86	C88	H153	120.2°	120.0°
C86	C87	H154	H155	120.0°	120.1°
C86	C87	H154	H156	120.0°	120.0°
C86	C87	H155	H156	120.0°	120.0°
C87	C86	C88	H157	61.0°	180.0°
C87	C86	C88	H158	59.0°	60.0°
C87	C86	C88	H159	179.0°	60.0°
C88	C86	C87	H154	60.0°	54.7°
C88	C86	C87	H155	180.0°	174.7°
C88	C86	C87	H156	60.0°	65.3°
C86	C88	H157	H158	120.0°	120.1°
C86	C88	H157	H159	120.0°	120.0°
C86	C88	H158	H159	120.0°	120.0°
H153	C86	C87	H154	60.2°	65.3°
H153	C86	C87	H155	59.8°	54.7°
H153	C86	C87	H156	179.8°	174.7°
H153	C86	C88	H157	59.2°	60.1°
H153	C86	C88	H158	179.2°	60.0°
H153	C86	C88	H159	60.8°	180.0°
H154	C87	H155	H156	120.0°	119.9°
H157	C88	H158	H159	120.0°	120.0°
C89	N31	H160	C84	180.0°	180.0°
N31	C89	C90	C91	124.3°	120.0°
N31	C89	C90	H161	119.7°	120.0°
N31	C89	C91	H161	119.1°	120.0°
N31	C89	C90	O24	27.3°	0.0°
N31	C89	C91	C92	74.8°	65.0°
N31	C89	C91	H162	45.8°	55.0°
N31	C89	C91	H163	164.7°	175.0°
N31	C89	C90	N33	151.7°	180.0°
H160	N31	C89	C90	106.4°	95.0°
H160	N31	C89	C91	15.7°	25.0°
H160	N31	C89	H161	134.3°	145.0°
C90	C89	C91	H161	116.1°	120.1°
C89	C90	O24	N33	179.0°	180.0°
C90	C89	C91	C92	160.5°	175.0°
C90	C89	C91	H162	78.9°	64.9°
C90	C89	C91	H163	39.9°	55.0°
C89	C90	N33	H166	179.0°	0.0°
C89	C90	N33	H167	1.0°	180.0°
C90	C89	N31	C84	73.6°	85.0°
C91	C89	C90	O24	97.0°	120.0°
C89	C91	C92	H162	120.6°	120.0°
C89	C91	C92	H163	120.6°	120.0°
C89	C91	H162	H163	118.2°	119.9°
C89	C91	C92	O25	15.0°	0.0°
C89	C91	C92	N32	164.8°	180.0°
C91	C89	N31	C84	164.3°	155.0°
C91	C89	C90	N33	84.0°	60.0°
H161	C89	C90	O24	147.0°	120.0°
H161	C89	C91	C92	44.4°	54.9°
H161	C89	C91	H162	164.9°	175.0°
H161	C89	C91	H163	76.2°	65.1°
H161	C89	N31	C84	45.7°	35.0°
H161	C89	C90	N33	32.0°	60.0°
O24	C90	N33	H166	0.0°	180.0°
O24	C90	N33	H167	180.0°	0.0°
C92	C91	H162	H163	118.2°	120.1°
C91	C92	O25	N32	179.8°	180.0°
C91	C92	N32	H164	179.8°	0.0°
C91	C92	N32	H165	0.1°	180.0°
H162	C91	C92	O25	135.6°	120.0°
H162	C91	C92	N32	44.3°	60.0°
H163	C91	C92	O25	105.6°	120.0°
H163	C91	C92	N32	74.6°	60.0°
O25	C92	N32	H164	0.0°	180.0°
O25	C92	N32	H165	180.0°	0.0°
C92	N32	H164	H165	180.0°	179.9°
H166	N33	H167	C90	180.0°	180.0°
C93	C94	C95	C97	174.9°	179.9°
C93	C94	C95	C96	176.7°	178.6°
C93	C94	C97	C98	177.5°	178.8°
C94	C93	H168	H169	90.0°	120.4°
C94	C93	H168	S2	135.2°	119.1°
C94	C93	H169	S2	135.2°	119.8°
C93	C94	C95	H170	3.3°	1.2°
C93	C94	C97	H172	2.5°	0.9°
C94	C95	C96	H170	180.0°	179.8°
C95	C94	C97	C98	2.4°	1.3°
C94	C95	C96	C99	0.9°	0.0°
C95	C94	C93	H168	83.8°	3.1°
C95	C94	C93	H169	83.8°	117.1°
C94	C95	C96	H171	179.1°	179.6°
C95	C94	C97	H172	177.6°	179.0°
C95	C94	C93	S2	103.2°	122.5°
C97	C94	C95	C96	1.8°	1.5°
C94	C97	C98	H172	180.0°	179.6°
C94	C97	C98	C99	0.1°	0.3°
C97	C94	C93	H168	91.3°	177.0°
C97	C94	C93	H169	91.3°	62.7°
C97	C94	C95	H170	178.1°	178.7°
C94	C97	C98	H173	179.9°	179.5°
C97	C94	C93	S2	71.8°	57.6°
C95	C96	C99	H171	180.0°	179.6°
C95	C96	C99	C98	3.2°	1.6°
C95	C96	C99	C100	176.1°	177.4°
C97	C98	C99	C96	2.7°	1.8°
C97	C98	C99	H173	180.0°	179.8°
C97	C98	C99	C100	175.7°	177.2°
C96	C99	C98	C100	173.0°	179.0°
C96	C99	C100	C103	25.4°	178.4°
C96	C99	C100	C101	150.1°	1.9°
C99	C96	C95	H170	179.1°	179.8°
C96	C99	C98	H173	177.3°	178.0°
C98	C99	C100	C103	161.6°	2.6°
C98	C99	C100	C101	23.0°	177.1°
C98	C99	C96	H171	176.8°	178.0°
C99	C98	C97	H172	179.9°	179.4°
C99	C100	C103	C101	175.3°	179.7°
C99	C100	C103	C104	178.7°	178.6°
C99	C100	C101	C102	178.3°	178.7°
C100	C99	C96	H171	3.9°	3.0°
C100	C99	C98	H173	4.3°	3.0°
C99	C100	C101	H174	1.7°	1.2°
C99	C100	C103	H176	1.3°	1.1°
C100	C103	C104	H176	180.0°	179.7°
C103	C100	C101	C102	2.9°	1.1°
C100	C103	C104	C105	2.4°	0.0°
C103	C100	C101	H174	177.1°	179.1°
C100	C103	C104	H177	177.6°	179.6°
C101	C100	C103	C104	3.4°	1.1°
C100	C101	C102	H174	180.0°	179.8°
C100	C101	C102	C105	1.4°	0.1°
C100	C101	C102	H175	178.6°	179.5°
C101	C100	C103	H176	176.6°	179.2°
C103	C104	C105	H177	180.0°	179.6°
C103	C104	C105	C102	1.0°	1.2°
C103	C104	C105	C106	177.8°	177.8°
C101	C102	C105	C104	0.5°	1.2°
C101	C102	C105	H175	180.0°	179.6°
C101	C102	C105	C106	178.3°	177.8°
C104	C105	C102	C106	178.8°	179.0°
C104	C105	C102	H175	179.5°	178.4°
C105	C104	C103	H176	177.5°	179.7°
C104	C105	C106	H178	109.6°	9.9°
C104	C105	C106	H179	109.6°	110.2°
C104	C105	C106	S1	60.4°	130.0°
C105	C102	C101	H174	178.6°	179.8°
C102	C105	C104	H177	179.0°	178.4°
C102	C105	C106	H178	69.2°	169.1°
C102	C105	C106	H179	69.2°	70.8°
C102	C105	C106	S1	118.4°	49.1°
C106	C105	C102	H175	1.7°	2.6°
C106	C105	C104	H177	2.2°	2.6°
C105	C106	H178	H179	90.0°	120.0°
C105	C106	H178	S1	130.8°	119.8°
C105	C106	H179	S1	130.8°	119.6°
H168	C93	H169	S2	90.0°	120.3°
H170	C95	C96	H171	0.9°	0.6°
H172	C97	C98	H173	0.1°	0.9°
H174	C101	C102	H175	1.4°	0.6°
H176	C103	C104	H177	2.5°	0.7°
H178	C106	H179	S1	90.0°	120.3°
S2	C93	S2	C94	90.0°	90.0°
S2	C93	S2	H168	90.0°	90.0°
S2	C93	S2	H169	90.0°	90.0°

Release date:	2012-12-12
Last modified:	2013-06-03
Processing site:	RCSB