PRD_001099

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.54Å
C1	C3	sing	1.53Å	1.51Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C2	O1	doub	1.21Å	1.40Å
C3	S1	sing	1.82Å	1.81Å
C3	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.09Å	1.10Å
N1	C4	sing	1.46Å	1.46Å
N1	H5	sing	0.97Å	1.00Å
C4	C5	sing	1.50Å	1.53Å
C4	C6	sing	1.53Å	1.53Å
C4	H6	sing	1.09Å	1.10Å
C5	O2	doub	1.21Å	1.23Å
C6	C7	sing	1.51Å	1.52Å
C6	H7	sing	1.09Å	1.10Å
C6	H8	sing	1.09Å	1.10Å
C7	O3	doub	1.21Å	1.23Å
C7	N2	sing	1.35Å	1.33Å
N2	H9	sing	0.97Å	1.00Å
N2	H10	sing	0.97Å	1.00Å
N3	C8	sing	1.47Å	1.46Å
N3	H11	sing	0.97Å	1.00Å
C8	C9	sing	1.51Å	1.52Å
C8	C10	sing	1.53Å	1.53Å
C8	H12	sing	1.09Å	1.10Å
C9	O4	doub	1.21Å	1.23Å
C10	C11	sing	1.53Å	1.53Å
C10	H13	sing	1.09Å	1.10Å
C10	H14	sing	1.09Å	1.10Å
C11	C12	sing	1.53Å	1.52Å
C11	C13	sing	1.53Å	1.51Å
C11	H15	sing	1.09Å	1.10Å
C12	H16	sing	1.09Å	1.10Å
C12	H17	sing	1.09Å	1.10Å
C12	H18	sing	1.09Å	1.10Å
C13	H19	sing	1.09Å	1.10Å
C13	H20	sing	1.09Å	1.10Å
C13	H21	sing	1.09Å	1.10Å
N4	C14	sing	1.47Å	1.45Å
N4	H22	sing	0.97Å	1.00Å
C14	C15	sing	1.51Å	1.52Å
C14	C16	sing	1.53Å	1.52Å
C14	H23	sing	1.09Å	1.10Å
C15	O5	doub	1.21Å	1.23Å
C16	C17	sing	1.51Å	1.49Å
C16	H24	sing	1.09Å	1.10Å
C16	H25	sing	1.09Å	1.10Å
C17	N5	sing	1.34Å	1.38Å	Aromatic
C17	C18	doub	1.35Å	1.36Å	Aromatic
N5	C19	doub	1.30Å	1.32Å	Aromatic
N5	H26	sing	0.97Å	1.00Å
C18	N6	sing	1.37Å	1.37Å	Aromatic
C18	H27	sing	1.08Å	1.08Å
C19	N6	sing	1.35Å	1.32Å	Aromatic
C19	H28	sing	1.08Å	1.08Å
N6	H29	sing	0.97Å	1.00Å
N7	C20	sing	1.47Å	1.45Å
N7	H30	sing	0.97Å	1.00Å
C20	C21	sing	1.51Å	1.52Å
C20	C22	sing	1.53Å	1.53Å
C20	H31	sing	1.09Å	1.10Å
C21	O6	doub	1.21Å	1.23Å
C22	C23	sing	1.51Å	1.51Å
C22	H32	sing	1.09Å	1.10Å
C22	H33	sing	1.09Å	1.10Å
C23	C24	doub	1.38Å	1.39Å	Aromatic
C23	C25	sing	1.38Å	1.39Å	Aromatic
C24	C26	sing	1.38Å	1.38Å	Aromatic
C24	H34	sing	1.08Å	1.08Å
C25	C27	doub	1.38Å	1.38Å	Aromatic
C25	H35	sing	1.08Å	1.08Å
C26	C28	doub	1.38Å	1.38Å	Aromatic
C26	H36	sing	1.08Å	1.08Å
C27	C28	sing	1.38Å	1.38Å	Aromatic
C27	H37	sing	1.08Å	1.08Å
C28	H38	sing	1.08Å	1.08Å
N8	C29	sing	1.46Å	1.46Å
N8	H39	sing	0.97Å	1.00Å
C29	C30	sing	1.50Å	1.53Å
C29	C31	sing	1.53Å	1.53Å
C29	H40	sing	1.09Å	1.10Å
C30	O7	doub	1.21Å	1.23Å
C31	S2	sing	1.81Å	1.80Å
C31	H41	sing	1.09Å	1.10Å
C31	H42	sing	1.09Å	1.10Å
N9	C32	sing	1.46Å	1.46Å
N9	H43	sing	0.97Å	1.00Å
C32	C33	sing	1.50Å	1.52Å
C32	C34	sing	1.53Å	1.53Å
C32	H44	sing	1.09Å	1.10Å
C33	O8	doub	1.21Å	1.23Å
C34	C35	sing	1.53Å	1.52Å
C34	H45	sing	1.09Å	1.10Å
C34	H46	sing	1.09Å	1.10Å
C35	C36	sing	1.51Å	1.52Å
C35	H47	sing	1.09Å	1.10Å
C35	H48	sing	1.09Å	1.10Å
C36	O9	doub	1.21Å	1.23Å
C36	N10	sing	1.35Å	1.33Å
N10	H49	sing	0.97Å	1.00Å
N10	H50	sing	0.97Å	1.00Å
N11	C37	sing	1.46Å	1.46Å
N11	H51	sing	0.97Å	1.00Å
C37	C38	sing	1.51Å	1.53Å
C37	C39	sing	1.53Å	1.53Å
C37	H52	sing	1.09Å	1.10Å
C38	O10	doub	1.21Å	1.23Å
C39	C40	sing	1.53Å	1.53Å
C39	H53	sing	1.09Å	1.10Å
C39	H54	sing	1.09Å	1.10Å
C40	C41	sing	1.53Å	1.52Å
C40	C42	sing	1.53Å	1.52Å
C40	H55	sing	1.09Å	1.10Å
C41	H56	sing	1.09Å	1.10Å
C41	H57	sing	1.09Å	1.10Å
C41	H58	sing	1.09Å	1.10Å
C42	H59	sing	1.09Å	1.10Å
C42	H60	sing	1.09Å	1.10Å
C42	H61	sing	1.09Å	1.10Å
N12	C43	sing	1.47Å	1.46Å
N12	H62	sing	0.97Å	1.00Å
C43	C44	sing	1.51Å	1.52Å
C43	C45	sing	1.53Å	1.53Å
C43	H63	sing	1.09Å	1.10Å
C44	O11	doub	1.21Å	1.23Å
C45	C46	sing	1.53Å	1.52Å
C45	H64	sing	1.09Å	1.10Å
C45	H65	sing	1.09Å	1.10Å
C46	C47	sing	1.53Å	1.52Å
C46	H66	sing	1.09Å	1.10Å
C46	H67	sing	1.09Å	1.10Å
C47	N13	sing	1.46Å	1.46Å
C47	H68	sing	1.09Å	1.10Å
C47	H69	sing	1.09Å	1.10Å
N13	C48	sing	1.37Å	1.33Å
N13	H70	sing	0.97Å	1.00Å
C48	N14	sing	1.33Å	1.33Å
C48	N15	doub	1.33Å	1.33Å
N14	H71	sing	0.97Å	1.00Å
N14	H72	sing	0.97Å	1.00Å
N15	H73	sing	0.97Å	1.00Å
N15	H74	sing	0.97Å	1.00Å
N16	C49	sing	1.47Å	1.46Å
N16	H75	sing	0.97Å	1.00Å
C49	C50	sing	1.51Å	1.53Å
C49	C51	sing	1.53Å	1.53Å
C49	H76	sing	1.09Å	1.10Å
C50	O12	doub	1.21Å	1.23Å
C51	S3	sing	1.81Å	1.81Å
C51	H77	sing	1.09Å	1.10Å
C51	H78	sing	1.09Å	1.10Å
N17	C52	sing	1.46Å	1.46Å
N17	H79	sing	0.97Å	1.00Å
C52	C53	sing	1.51Å	1.52Å
C52	C54	sing	1.53Å	1.53Å
C52	H80	sing	1.09Å	1.10Å
C53	O13	doub	1.21Å	1.22Å
C54	C55	sing	1.53Å	1.53Å
C54	H81	sing	1.09Å	1.10Å
C54	H82	sing	1.09Å	1.10Å
C55	C56	sing	1.53Å	1.53Å
C55	H83	sing	1.09Å	1.10Å
C55	H84	sing	1.09Å	1.10Å
C56	C57	sing	1.53Å	1.52Å
C56	H85	sing	1.09Å	1.10Å
C56	H86	sing	1.09Å	1.10Å
C57	N18	sing	1.47Å	1.49Å
C57	H87	sing	1.09Å	1.10Å
C57	H88	sing	1.09Å	1.10Å
N18	H89	sing	1.01Å	1.00Å
N18	H90	sing	1.01Å	1.00Å
N18	H91	sing	1.01Å	1.00Å
N19	C58	sing	1.46Å	1.46Å
N19	H92	sing	0.97Å	1.00Å
C58	C59	sing	1.51Å	1.53Å
C58	C60	sing	1.53Å	1.53Å
C58	H93	sing	1.09Å	1.10Å
C59	O14	doub	1.21Å	1.23Å
C60	O15	sing	1.43Å	1.42Å
C60	H94	sing	1.09Å	1.10Å
C60	H95	sing	1.09Å	1.10Å
O15	H96	sing	0.97Å	0.95Å
N20	C61	sing	1.46Å	1.46Å
N20	H97	sing	0.97Å	1.00Å
C61	C62	sing	1.51Å	1.52Å
C61	C63	sing	1.53Å	1.53Å
C61	H98	sing	1.09Å	1.10Å
C62	O16	doub	1.21Å	1.23Å
C63	C64	sing	1.53Å	1.53Å
C63	H99	sing	1.09Å	1.10Å
C63	H100	sing	1.09Å	1.10Å
C64	C65	sing	1.53Å	1.52Å
C64	C66	sing	1.53Å	1.52Å
C64	H101	sing	1.09Å	1.10Å
C65	H102	sing	1.09Å	1.10Å
C65	H103	sing	1.09Å	1.10Å
C65	H104	sing	1.09Å	1.10Å
C66	H105	sing	1.09Å	1.10Å
C66	H106	sing	1.09Å	1.10Å
C66	H107	sing	1.09Å	1.10Å
N21	C67	sing	1.47Å	1.45Å
N21	H108	sing	0.97Å	1.00Å
C67	C68	sing	1.50Å	1.52Å
C67	H109	sing	1.09Å	1.10Å
C67	H110	sing	1.09Å	1.10Å
C68	O17	doub	1.21Å	1.23Å
N22	C69	sing	1.47Å	1.46Å
N22	H111	sing	0.97Å	1.00Å
C69	C70	sing	1.51Å	1.53Å
C69	C71	sing	1.53Å	1.53Å
C69	H112	sing	1.09Å	1.10Å
C70	O18	doub	1.21Å	1.23Å
C71	C72	sing	1.53Å	1.53Å
C71	H113	sing	1.09Å	1.10Å
C71	H114	sing	1.09Å	1.10Å
C72	C73	sing	1.53Å	1.52Å
C72	C74	sing	1.53Å	1.52Å
C72	H115	sing	1.09Å	1.10Å
C73	H116	sing	1.09Å	1.10Å
C73	H117	sing	1.09Å	1.10Å
C73	H118	sing	1.09Å	1.10Å
C74	H119	sing	1.09Å	1.10Å
C74	H120	sing	1.09Å	1.10Å
C74	H121	sing	1.09Å	1.10Å
N23	C75	sing	1.47Å	1.46Å
N23	H122	sing	0.97Å	1.00Å
C75	C76	sing	1.50Å	1.52Å
C75	C77	sing	1.53Å	1.53Å
C75	H123	sing	1.09Å	1.10Å
C76	O19	doub	1.21Å	1.23Å
C77	C78	sing	1.53Å	1.53Å
C77	H124	sing	1.09Å	1.10Å
C77	H125	sing	1.09Å	1.10Å
C78	C79	sing	1.53Å	1.52Å
C78	C80	sing	1.53Å	1.52Å
C78	H126	sing	1.09Å	1.10Å
C79	H127	sing	1.09Å	1.10Å
C79	H128	sing	1.09Å	1.10Å
C79	H129	sing	1.09Å	1.10Å
C80	H130	sing	1.09Å	1.10Å
C80	H131	sing	1.09Å	1.10Å
C80	H132	sing	1.09Å	1.10Å
N24	C81	sing	1.47Å	1.45Å
N24	H133	sing	0.97Å	1.00Å
C81	C82	sing	1.51Å	1.52Å
C81	H134	sing	1.09Å	1.10Å
C81	H135	sing	1.09Å	1.10Å
C82	O20	doub	1.21Å	1.23Å
N25	C83	sing	1.46Å	1.46Å
N25	H136	sing	0.97Å	1.00Å
C83	C84	sing	1.50Å	1.52Å
C83	C85	sing	1.53Å	1.53Å
C83	H137	sing	1.09Å	1.10Å
C84	O21	doub	1.21Å	1.23Å
C85	C86	sing	1.53Å	1.51Å
C85	H138	sing	1.09Å	1.10Å
C85	H139	sing	1.09Å	1.10Å
C86	C87	sing	1.53Å	1.51Å
C86	H140	sing	1.09Å	1.10Å
C86	H141	sing	1.09Å	1.10Å
C87	N26	sing	1.46Å	1.46Å
C87	H142	sing	1.09Å	1.10Å
C87	H143	sing	1.09Å	1.10Å
N26	C88	sing	1.37Å	1.33Å
N26	H144	sing	0.97Å	1.00Å
C88	N27	sing	1.33Å	1.33Å
C88	N28	doub	1.33Å	1.33Å
N27	H145	sing	0.97Å	1.00Å
N27	H146	sing	0.97Å	1.00Å
N28	H147	sing	0.97Å	1.00Å
N28	H148	sing	0.97Å	1.00Å
N29	C89	sing	1.47Å	1.46Å
N29	H149	sing	0.97Å	1.00Å
C89	C90	sing	1.51Å	1.52Å
C89	C91	sing	1.53Å	1.53Å
C89	H150	sing	1.09Å	1.10Å
C90	O22	doub	1.21Å	1.23Å
C91	S4	sing	1.83Å	1.81Å
C91	H151	sing	1.09Å	1.10Å
C91	H152	sing	1.09Å	1.10Å
N30	C92	sing	1.46Å	1.45Å
N30	H153	sing	0.97Å	1.00Å
C92	C93	sing	1.51Å	1.52Å
C92	C94	sing	1.53Å	1.51Å
C92	H154	sing	1.09Å	1.10Å
C93	O23	doub	1.21Å	1.23Å
C94	H155	sing	1.09Å	1.10Å
C94	H156	sing	1.09Å	1.10Å
C94	H157	sing	1.09Å	1.10Å
N31	C95	sing	1.47Å	1.46Å
N31	C98	sing	1.47Å	1.47Å
C95	C96	sing	1.54Å	1.53Å
C95	C99	sing	1.51Å	1.52Å
C95	H158	sing	1.09Å	1.10Å
C96	C97	sing	1.54Å	1.49Å
C96	H159	sing	1.09Å	1.10Å
C96	H160	sing	1.09Å	1.10Å
C97	C98	sing	1.54Å	1.50Å
C97	H161	sing	1.09Å	1.10Å
C97	H162	sing	1.09Å	1.10Å
C98	H163	sing	1.09Å	1.10Å
C98	H164	sing	1.09Å	1.10Å
C99	O24	doub	1.21Å	1.23Å
N32	C100	sing	1.46Å	1.45Å
N32	H165	sing	0.97Å	1.00Å
C100	C101	sing	1.51Å	1.52Å
C100	C102	sing	1.53Å	1.54Å
C100	H166	sing	1.09Å	1.10Å
C101	O25	doub	1.21Å	1.23Å
C102	O26	sing	1.43Å	1.43Å
C102	C103	sing	1.53Å	1.52Å
C102	H167	sing	1.09Å	1.10Å
O26	H168	sing	0.97Å	0.95Å
C103	H169	sing	1.09Å	1.10Å
C103	H170	sing	1.09Å	1.10Å
C103	H171	sing	1.09Å	1.10Å
C105	C104	sing	1.53Å	1.54Å
C105	O29	sing	1.43Å	1.40Å
C104	C117	sing	1.53Å	1.53Å
C117	C116	sing	1.53Å	1.53Å
C116	C115	sing	1.53Å	1.54Å
C115	O28	sing	1.43Å	1.41Å
O28	C114	sing	1.36Å	1.37Å
C114	C112	doub	1.39Å	1.40Å	Aromatic
C114	C113	sing	1.39Å	1.40Å	Aromatic
C112	C110	sing	1.38Å	1.39Å	Aromatic
C113	C111	doub	1.38Å	1.38Å	Aromatic
C110	C109	doub	1.38Å	1.39Å	Aromatic
C111	C109	sing	1.38Å	1.39Å	Aromatic
C109	C108	sing	1.51Å	1.49Å
C108	C107	sing	1.53Å	1.54Å
C107	N33	sing	1.47Å	1.47Å
C107	C106	sing	1.51Å	1.53Å
C106	O27	doub	1.21Å	1.21Å
C104	H172	sing	1.09Å	1.10Å
C104	H173	sing	1.09Å	1.10Å
C105	H174	sing	1.09Å	1.10Å
C105	H175	sing	1.09Å	1.10Å
N33	H176	sing	0.97Å	1.00Å
C107	H177	sing	1.09Å	1.10Å
C108	H178	sing	1.09Å	1.10Å
C108	H179	sing	1.09Å	1.10Å
C110	H180	sing	1.08Å	1.08Å
C111	H181	sing	1.08Å	1.08Å
C112	H182	sing	1.08Å	1.08Å
C113	H183	sing	1.08Å	1.08Å
C115	H184	sing	1.09Å	1.10Å
C115	H185	sing	1.09Å	1.10Å
C116	H186	sing	1.09Å	1.10Å
C116	H187	sing	1.09Å	1.10Å
C117	H188	sing	1.09Å	1.10Å
C117	H189	sing	1.09Å	1.10Å
O29	H190	sing	0.97Å	0.95Å
N34	C118	sing	1.46Å	1.46Å
N34	H191	sing	0.97Å	1.00Å
C118	C119	sing	1.51Å	1.52Å
C118	C120	sing	1.52Å	1.53Å
C118	H192	sing	1.09Å	1.10Å
C119	O30	doub	1.21Å	1.23Å
C120	S5	sing	1.81Å	1.81Å
C120	H193	sing	1.09Å	1.10Å
C120	H194	sing	1.09Å	1.10Å
N35	C121	sing	1.46Å	1.46Å
N35	H195	sing	0.97Å	1.00Å
C121	C122	sing	1.51Å	1.52Å
C121	C123	sing	1.53Å	1.52Å
C121	H196	sing	1.09Å	1.10Å
C122	O31	doub	1.21Å	1.23Å
C123	H197	sing	1.09Å	1.10Å
C123	H198	sing	1.09Å	1.10Å
C123	H199	sing	1.09Å	1.10Å
N36	C124	sing	1.47Å	1.46Å
N36	H200	sing	0.97Å	1.00Å
C124	C125	sing	1.51Å	1.52Å
C124	C126	sing	1.54Å	1.53Å
C124	H201	sing	1.09Å	1.10Å
C125	O32	doub	1.21Å	1.23Å
C126	S6	sing	1.81Å	1.81Å
C126	H202	sing	1.09Å	1.10Å
C126	H203	sing	1.09Å	1.10Å
N37	C127	sing	1.46Å	1.46Å
N37	H204	sing	0.97Å	1.00Å
C127	C128	sing	1.51Å	1.54Å
C127	C129	sing	1.53Å	1.54Å
C127	H205	sing	1.09Å	1.10Å
C128	O33	doub	1.21Å	1.22Å
C129	C130	sing	1.53Å	1.52Å
C129	C131	sing	1.53Å	1.52Å
C129	H206	sing	1.09Å	1.10Å
C130	H207	sing	1.09Å	1.10Å
C130	H208	sing	1.09Å	1.10Å
C130	H209	sing	1.09Å	1.10Å
C131	H210	sing	1.09Å	1.10Å
C131	H211	sing	1.09Å	1.10Å
C131	H212	sing	1.09Å	1.10Å
N38	H213	sing	0.97Å	1.00Å
N38	H214	sing	0.97Å	1.00Å
C2	N1	sing	1.35Å	1.33Å
S1	S4	sing	2.05Å	2.08Å
C5	N3	sing	1.34Å	1.33Å
C9	N4	sing	1.35Å	1.32Å
C15	N7	sing	1.35Å	1.33Å
C21	N8	sing	1.34Å	1.33Å
C30	N9	sing	1.35Å	1.33Å
S2	S5	sing	2.05Å	2.04Å
C33	N11	sing	1.35Å	1.33Å
C38	N12	sing	1.35Å	1.33Å
C44	N16	sing	1.35Å	1.33Å
C50	N17	sing	1.35Å	1.33Å
S3	S6	sing	2.05Å	2.03Å
C53	N19	sing	1.35Å	1.33Å
C59	N20	sing	1.35Å	1.33Å
C62	N21	sing	1.35Å	1.33Å
C68	N22	sing	1.35Å	1.33Å
C70	N23	sing	1.35Å	1.33Å
C76	N24	sing	1.35Å	1.33Å
C82	N25	sing	1.35Å	1.33Å
C84	N29	sing	1.34Å	1.33Å
C90	N30	sing	1.35Å	1.33Å
C93	N31	sing	1.35Å	1.35Å
C99	N32	sing	1.35Å	1.31Å
C101	N33	sing	1.35Å	1.36Å
C106	N34	sing	1.35Å	1.34Å
C119	N35	sing	1.35Å	1.33Å
C122	N36	sing	1.35Å	1.33Å
C125	N37	sing	1.35Å	1.34Å
C128	N38	sing	1.35Å	1.38Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C3	107.0°	109.4°
C2	C1	H1	110.1°	109.5°
C2	C1	H2	110.1°	109.5°
C1	C2	O1	106.3°	119.8°
C1	C2	N1	121.2°	120.4°
C3	C1	H1	110.1°	109.5°
C3	C1	H2	110.1°	109.5°
C1	C3	S1	107.5°	109.8°
C1	C3	H3	109.9°	109.4°
C1	C3	H4	110.0°	109.5°
H1	C1	H2	109.5°	109.5°
O1	C2	N1	119.4°	119.8°
S1	C3	H3	110.0°	109.4°
S1	C3	H4	110.0°	109.4°
C3	S1	S4	109.6°	102.9°
H3	C3	H4	109.5°	109.3°
C4	N1	H5	122.5°	120.1°
N1	C4	C5	111.4°	109.8°
N1	C4	C6	110.0°	109.5°
N1	C4	H6	108.7°	109.4°
C4	N1	C2	114.9°	119.8°
H5	N1	C2	122.6°	120.2°
C5	C4	C6	111.2°	109.4°
C5	C4	H6	107.8°	109.4°
C4	C5	O2	121.0°	119.9°
C4	C5	N3	115.5°	120.3°
C6	C4	H6	107.7°	109.3°
C4	C6	C7	112.7°	109.4°
C4	C6	H7	108.7°	109.5°
C4	C6	H8	108.7°	109.5°
O2	C5	N3	123.5°	119.9°
C7	C6	H7	108.7°	109.5°
C7	C6	H8	108.7°	109.4°
C6	C7	O3	120.9°	120.0°
C6	C7	N2	116.6°	120.0°
H7	C6	H8	109.5°	109.5°
O3	C7	N2	122.5°	120.0°
C7	N2	H9	120.0°	120.0°
C7	N2	H10	120.0°	120.0°
H9	N2	H10	120.0°	120.0°
C8	N3	H11	118.3°	120.0°
N3	C8	C9	113.6°	109.5°
N3	C8	C10	109.3°	109.5°
N3	C8	H12	109.1°	109.4°
C8	N3	C5	123.4°	120.2°
H11	N3	C5	118.3°	119.9°
C9	C8	C10	108.1°	109.5°
C9	C8	H12	108.4°	109.5°
C8	C9	O4	120.9°	119.8°
C8	C9	N4	116.0°	120.4°
C10	C8	H12	108.2°	109.4°
C8	C10	C11	115.5°	109.5°
C8	C10	H13	107.9°	109.5°
C8	C10	H14	107.9°	109.5°
O4	C9	N4	123.1°	119.8°
C11	C10	H13	108.0°	109.5°
C11	C10	H14	107.9°	109.5°
C10	C11	C12	110.0°	109.5°
C10	C11	C13	111.1°	109.5°
C10	C11	H15	108.1°	109.4°
H13	C10	H14	109.5°	109.4°
C12	C11	C13	110.9°	109.5°
C12	C11	H15	108.3°	109.5°
C11	C12	H16	109.5°	109.5°
C11	C12	H17	109.4°	109.5°
C11	C12	H18	109.5°	109.4°
C13	C11	H15	108.3°	109.5°
C11	C13	H19	109.5°	109.5°
C11	C13	H20	109.4°	109.4°
C11	C13	H21	109.5°	109.5°
H16	C12	H17	109.4°	109.5°
H16	C12	H18	109.5°	109.5°
H17	C12	H18	109.5°	109.5°
H19	C13	H20	109.5°	109.5°
H19	C13	H21	109.5°	109.5°
H20	C13	H21	109.5°	109.5°
C14	N4	H22	119.1°	120.3°
N4	C14	C15	111.7°	109.7°
N4	C14	C16	108.6°	109.4°
N4	C14	H23	109.2°	109.4°
C14	N4	C9	121.8°	119.5°
H22	N4	C9	119.1°	120.3°
C15	C14	C16	110.7°	109.5°
C15	C14	H23	108.3°	109.4°
C14	C15	O5	120.5°	120.1°
C14	C15	N7	115.8°	119.9°
C16	C14	H23	108.2°	109.4°
C14	C16	C17	113.9°	109.5°
C14	C16	H24	108.4°	109.5°
C14	C16	H25	108.3°	109.4°
O5	C15	N7	123.7°	120.1°
C17	C16	H24	108.4°	109.5°
C17	C16	H25	108.4°	109.5°
C16	C17	N5	122.8°	126.0°
C16	C17	C18	131.0°	126.0°
H24	C16	H25	109.5°	109.5°
N5	C17	C18	106.3°	108.0°
C17	N5	C19	109.3°	109.3°
C17	N5	H26	125.4°	125.3°
C17	C18	N6	106.9°	106.9°
C17	C18	H27	126.5°	126.6°
C19	N5	H26	125.3°	125.4°
N5	C19	N6	108.2°	108.7°
N5	C19	H28	125.9°	125.6°
N6	C18	H27	126.5°	126.6°
C18	N6	C19	109.2°	107.2°
C18	N6	H29	125.4°	126.4°
N6	C19	H28	125.9°	125.7°
C19	N6	H29	125.4°	126.4°
C20	N7	H30	119.1°	120.0°
N7	C20	C21	106.7°	109.7°
N7	C20	C22	110.6°	109.4°
N7	C20	H31	110.6°	109.4°
C20	N7	C15	121.8°	120.1°
H30	N7	C15	119.1°	119.9°
C21	C20	C22	109.9°	109.4°
C21	C20	H31	109.6°	109.4°
C20	C21	O6	121.2°	120.0°
C20	C21	N8	115.4°	120.0°
C22	C20	H31	109.5°	109.4°
C20	C22	C23	114.1°	109.5°
C20	C22	H32	108.3°	109.4°
C20	C22	H33	108.3°	109.4°
O6	C21	N8	123.3°	120.0°
C23	C22	H32	108.3°	109.5°
C23	C22	H33	108.3°	109.5°
C22	C23	C24	121.0°	120.0°
C22	C23	C25	120.5°	120.0°
H32	C22	H33	109.4°	109.5°
C24	C23	C25	118.5°	120.0°
C23	C24	C26	120.9°	120.0°
C23	C24	H34	119.6°	120.0°
C23	C25	C27	120.8°	120.0°
C23	C25	H35	119.6°	120.0°
C26	C24	H34	119.5°	120.0°
C24	C26	C28	120.0°	120.0°
C24	C26	H36	120.0°	120.0°
C27	C25	H35	119.6°	120.0°
C25	C27	C28	120.0°	120.0°
C25	C27	H37	120.0°	120.0°
C28	C26	H36	120.0°	120.0°
C26	C28	C27	119.8°	120.0°
C26	C28	H38	120.1°	120.0°
C28	C27	H37	120.0°	120.0°
C27	C28	H38	120.1°	120.0°
C29	N8	H39	118.7°	119.1°
N8	C29	C30	112.2°	109.4°
N8	C29	C31	110.0°	109.9°
N8	C29	H40	108.8°	109.0°
C29	N8	C21	122.5°	121.8°
H39	N8	C21	118.7°	119.1°
C30	C29	C31	109.9°	110.6°
C30	C29	H40	107.9°	109.0°
C29	C30	O7	120.4°	119.4°
C29	C30	N9	116.8°	121.2°
C31	C29	H40	107.8°	109.0°
C29	C31	S2	114.5°	109.4°
C29	C31	H41	108.2°	109.5°
C29	C31	H42	108.2°	109.5°
O7	C30	N9	122.8°	119.4°
S2	C31	H41	108.2°	109.5°
S2	C31	H42	108.2°	109.5°
C31	S2	S5	96.7°	103.2°
H41	C31	H42	109.5°	109.5°
C32	N9	H43	119.3°	120.2°
N9	C32	C33	110.1°	110.8°
N9	C32	C34	110.8°	109.2°
N9	C32	H44	109.2°	109.2°
C32	N9	C30	121.4°	119.6°
H43	N9	C30	119.3°	120.3°
C33	C32	C34	110.0°	109.2°
C33	C32	H44	108.4°	109.2°
C32	C33	O8	120.7°	120.3°
C32	C33	N11	116.2°	119.5°
C34	C32	H44	108.3°	109.2°
C32	C34	C35	113.8°	109.5°
C32	C34	H45	108.4°	109.5°
C32	C34	H46	108.4°	109.5°
O8	C33	N11	123.0°	120.2°
C35	C34	H45	108.4°	109.5°
C35	C34	H46	108.4°	109.4°
C34	C35	C36	112.8°	109.5°
C34	C35	H47	108.6°	109.5°
C34	C35	H48	108.6°	109.5°
H45	C34	H46	109.5°	109.4°
C36	C35	H47	108.6°	109.5°
C36	C35	H48	108.6°	109.5°
C35	C36	O9	121.0°	120.0°
C35	C36	N10	116.4°	120.0°
H47	C35	H48	109.5°	109.4°
O9	C36	N10	122.6°	120.1°
C36	N10	H49	120.0°	120.1°
C36	N10	H50	120.0°	120.0°
H49	N10	H50	120.0°	120.0°
C37	N11	H51	119.1°	120.0°
N11	C37	C38	110.7°	110.2°
N11	C37	C39	110.1°	109.3°
N11	C37	H52	109.2°	109.3°
C37	N11	C33	121.7°	120.1°
H51	N11	C33	119.1°	119.9°
C38	C37	C39	110.2°	109.4°
C38	C37	H52	108.3°	109.4°
C37	C38	O10	120.7°	120.5°
C37	C38	N12	116.2°	119.1°
C39	C37	H52	108.2°	109.2°
C37	C39	C40	117.4°	109.5°
C37	C39	H53	107.5°	109.4°
C37	C39	H54	107.5°	109.4°
O10	C38	N12	123.0°	120.5°
C40	C39	H53	107.4°	109.5°
C40	C39	H54	107.5°	109.5°
C39	C40	C41	110.7°	109.5°
C39	C40	C42	109.8°	109.5°
C39	C40	H55	108.4°	109.5°
H53	C39	H54	109.5°	109.5°
C41	C40	C42	110.9°	109.5°
C41	C40	H55	108.5°	109.5°
C40	C41	H56	109.5°	109.4°
C40	C41	H57	109.5°	109.5°
C40	C41	H58	109.5°	109.5°
C42	C40	H55	108.5°	109.4°
C40	C42	H59	109.5°	109.5°
C40	C42	H60	109.4°	109.4°
C40	C42	H61	109.4°	109.5°
H56	C41	H57	109.5°	109.5°
H56	C41	H58	109.5°	109.4°
H57	C41	H58	109.4°	109.5°
H59	C42	H60	109.5°	109.5°
H59	C42	H61	109.5°	109.5°
H60	C42	H61	109.5°	109.5°
C43	N12	H62	118.9°	119.6°
N12	C43	C44	111.2°	108.9°
N12	C43	C45	110.5°	109.5°
N12	C43	H63	109.4°	109.6°
C43	N12	C38	122.1°	120.6°
H62	N12	C38	118.9°	119.8°
C44	C43	C45	108.7°	109.5°
C44	C43	H63	108.5°	109.6°
C43	C44	O11	120.7°	119.7°
C43	C44	N16	116.3°	120.6°
C45	C43	H63	108.5°	109.6°
C43	C45	C46	115.2°	109.5°
C43	C45	H64	108.0°	109.5°
C43	C45	H65	108.1°	109.5°
O11	C44	N16	123.0°	119.7°
C46	C45	H64	108.0°	109.5°
C46	C45	H65	108.0°	109.5°
C45	C46	C47	110.1°	109.5°
C45	C46	H66	109.3°	109.5°
C45	C46	H67	109.3°	109.4°
H64	C45	H65	109.5°	109.4°
C47	C46	H66	109.3°	109.5°
C47	C46	H67	109.3°	109.4°
C46	C47	N13	111.5°	109.5°
C46	C47	H68	109.0°	109.5°
C46	C47	H69	109.0°	109.4°
H66	C46	H67	109.5°	109.5°
N13	C47	H68	109.0°	109.5°
N13	C47	H69	109.0°	109.5°
C47	N13	C48	124.7°	120.0°
C47	N13	H70	117.6°	120.0°
H68	C47	H69	109.5°	109.5°
C48	N13	H70	117.6°	120.0°
N13	C48	N14	120.6°	120.0°
N13	C48	N15	119.8°	120.0°
N14	C48	N15	119.6°	120.0°
C48	N14	H71	120.0°	119.9°
C48	N14	H72	120.0°	120.0°
C48	N15	H73	120.0°	120.0°
C48	N15	H74	120.0°	120.0°
H71	N14	H72	120.0°	120.0°
H73	N15	H74	120.0°	120.1°
C49	N16	H75	119.3°	120.5°
N16	C49	C50	112.0°	109.0°
N16	C49	C51	110.2°	109.4°
N16	C49	H76	108.7°	109.6°
C49	N16	C44	121.5°	119.1°
H75	N16	C44	119.2°	120.4°
C50	C49	C51	110.2°	109.4°
C50	C49	H76	107.8°	109.8°
C49	C50	O12	120.4°	119.8°
C49	C50	N17	117.0°	120.4°
C51	C49	H76	107.8°	109.6°
C49	C51	S3	113.9°	109.8°
C49	C51	H77	108.4°	109.4°
C49	C51	H78	108.4°	109.4°
O12	C50	N17	122.6°	119.8°
S3	C51	H77	108.4°	109.4°
S3	C51	H78	108.3°	109.4°
C51	S3	S6	105.5°	103.0°
H77	C51	H78	109.5°	109.4°
C52	N17	H79	119.5°	119.8°
N17	C52	C53	110.0°	109.5°
N17	C52	C54	111.9°	109.5°
N17	C52	H80	108.7°	109.5°
C52	N17	C50	121.0°	120.4°
H79	N17	C50	119.5°	119.9°
C53	C52	C54	110.4°	109.5°
C53	C52	H80	108.0°	109.5°
C52	C53	O13	120.3°	119.6°
C52	C53	N19	116.6°	120.8°
C54	C52	H80	107.8°	109.4°
C52	C54	C55	113.5°	109.4°
C52	C54	H81	108.4°	109.4°
C52	C54	H82	108.4°	109.4°
O13	C53	N19	123.1°	119.6°
C55	C54	H81	108.4°	109.5°
C55	C54	H82	108.4°	109.5°
C54	C55	C56	111.4°	109.4°
C54	C55	H83	109.0°	109.5°
C54	C55	H84	109.0°	109.5°
H81	C54	H82	109.5°	109.5°
C56	C55	H83	109.0°	109.4°
C56	C55	H84	109.0°	109.5°
C55	C56	C57	112.1°	109.5°
C55	C56	H85	108.8°	109.5°
C55	C56	H86	108.8°	109.5°
H83	C55	H84	109.5°	109.6°
C57	C56	H85	108.8°	109.4°
C57	C56	H86	108.8°	109.5°
C56	C57	N18	111.6°	109.5°
C56	C57	H87	108.9°	109.4°
C56	C57	H88	108.9°	109.5°
H85	C56	H86	109.4°	109.5°
N18	C57	H87	108.9°	109.5°
N18	C57	H88	108.9°	109.5°
C57	N18	H89	109.5°	109.5°
C57	N18	H90	109.5°	109.4°
C57	N18	H91	109.5°	109.5°
H87	C57	H88	109.4°	109.4°
H89	N18	H90	109.5°	109.5°
H89	N18	H91	109.4°	109.5°
H90	N18	H91	109.5°	109.5°
C58	N19	H92	119.2°	120.5°
N19	C58	C59	110.9°	110.4°
N19	C58	C60	110.6°	109.4°
N19	C58	H93	109.2°	109.3°
C58	N19	C53	121.7°	119.0°
H92	N19	C53	119.1°	120.5°
C59	C58	C60	109.5°	109.3°
C59	C58	H93	108.3°	109.3°
C58	C59	O14	120.5°	120.4°
C58	C59	N20	116.8°	119.2°
C60	C58	H93	108.3°	109.1°
C58	C60	O15	111.3°	109.5°
C58	C60	H94	109.0°	109.4°
C58	C60	H95	109.0°	109.5°
O14	C59	N20	122.8°	120.4°
O15	C60	H94	109.0°	109.5°
O15	C60	H95	109.0°	109.5°
C60	O15	H96	109.5°	114.0°
H94	C60	H95	109.5°	109.5°
C61	N20	H97	119.1°	119.5°
N20	C61	C62	110.7°	109.1°
N20	C61	C63	110.5°	109.5°
N20	C61	H98	109.0°	109.5°
C61	N20	C59	121.8°	121.1°
H97	N20	C59	119.1°	119.5°
C62	C61	C63	110.3°	109.6°
C62	C61	H98	108.2°	109.6°
C61	C62	O16	120.9°	119.4°
C61	C62	N21	116.0°	121.2°
C63	C61	H98	108.1°	109.6°
C61	C63	C64	116.0°	109.4°
C61	C63	H99	107.8°	109.5°
C61	C63	H100	107.8°	109.5°
O16	C62	N21	123.1°	119.4°
C64	C63	H99	107.8°	109.4°
C64	C63	H100	107.8°	109.5°
C63	C64	C65	111.5°	109.5°
C63	C64	C66	110.1°	109.5°
C63	C64	H101	108.2°	109.5°
H99	C63	H100	109.4°	109.5°
C65	C64	C66	110.4°	109.5°
C65	C64	H101	108.3°	109.4°
C64	C65	H102	109.5°	109.5°
C64	C65	H103	109.5°	109.5°
C64	C65	H104	109.5°	109.5°
C66	C64	H101	108.3°	109.4°
C64	C66	H105	109.5°	109.5°
C64	C66	H106	109.5°	109.5°
C64	C66	H107	109.5°	109.4°
H102	C65	H103	109.5°	109.5°
H102	C65	H104	109.5°	109.5°
H103	C65	H104	109.5°	109.4°
H105	C66	H106	109.5°	109.5°
H105	C66	H107	109.4°	109.4°
H106	C66	H107	109.5°	109.5°
C67	N21	H108	119.2°	120.2°
N21	C67	C68	112.5°	109.9°
N21	C67	H109	108.7°	109.4°
N21	C67	H110	108.7°	109.4°
C67	N21	C62	121.7°	119.6°
H108	N21	C62	119.1°	120.2°
C68	C67	H109	108.7°	109.4°
C68	C67	H110	108.7°	109.4°
C67	C68	O17	120.4°	119.6°
C67	C68	N22	116.2°	120.8°
H109	C67	H110	109.5°	109.3°
O17	C68	N22	123.4°	119.6°
C69	N22	H111	118.9°	119.8°
N22	C69	C70	112.0°	109.6°
N22	C69	C71	109.3°	109.4°
N22	C69	H112	109.3°	109.4°
C69	N22	C68	122.2°	120.4°
H111	N22	C68	118.9°	119.8°
C70	C69	C71	109.3°	109.4°
C70	C69	H112	108.5°	109.5°
C69	C70	O18	120.8°	120.4°
C69	C70	N23	116.2°	119.3°
C71	C69	H112	108.4°	109.4°
C69	C71	C72	115.9°	109.5°
C69	C71	H113	107.8°	109.5°
C69	C71	H114	107.9°	109.5°
O18	C70	N23	123.0°	120.4°
C72	C71	H113	107.8°	109.4°
C72	C71	H114	107.8°	109.4°
C71	C72	C73	110.2°	109.5°
C71	C72	C74	111.0°	109.5°
C71	C72	H115	108.2°	109.5°
H113	C71	H114	109.5°	109.5°
C73	C72	C74	110.6°	109.5°
C73	C72	H115	108.4°	109.4°
C72	C73	H116	109.5°	109.4°
C72	C73	H117	109.5°	109.5°
C72	C73	H118	109.5°	109.5°
C74	C72	H115	108.3°	109.5°
C72	C74	H119	109.5°	109.4°
C72	C74	H120	109.5°	109.5°
C72	C74	H121	109.5°	109.5°
H116	C73	H117	109.5°	109.4°
H116	C73	H118	109.5°	109.5°
H117	C73	H118	109.4°	109.5°
H119	C74	H120	109.5°	109.5°
H119	C74	H121	109.5°	109.5°
H120	C74	H121	109.5°	109.4°
C75	N23	H122	119.0°	119.6°
N23	C75	C76	109.9°	109.1°
N23	C75	C77	110.7°	109.6°
N23	C75	H123	109.4°	109.6°
C75	N23	C70	121.9°	120.9°
H122	N23	C70	119.0°	119.5°
C76	C75	C77	109.7°	109.5°
C76	C75	H123	108.6°	109.5°
C75	C76	O19	120.7°	119.0°
C75	C76	N24	116.2°	122.0°
C77	C75	H123	108.5°	109.6°
C75	C77	C78	116.2°	109.5°
C75	C77	H124	107.8°	109.5°
C75	C77	H125	107.8°	109.4°
O19	C76	N24	123.1°	119.0°
C78	C77	H124	107.7°	109.5°
C78	C77	H125	107.8°	109.5°
C77	C78	C79	111.2°	109.5°
C77	C78	C80	110.5°	109.4°
C77	C78	H126	108.1°	109.5°
H124	C77	H125	109.5°	109.4°
C79	C78	C80	110.7°	109.5°
C79	C78	H126	108.1°	109.5°
C78	C79	H127	109.5°	109.5°
C78	C79	H128	109.5°	109.5°
C78	C79	H129	109.4°	109.5°
C80	C78	H126	108.2°	109.5°
C78	C80	H130	109.5°	109.5°
C78	C80	H131	109.5°	109.5°
C78	C80	H132	109.5°	109.5°
H127	C79	H128	109.5°	109.5°
H127	C79	H129	109.5°	109.5°
H128	C79	H129	109.5°	109.4°
H130	C80	H131	109.5°	109.5°
H130	C80	H132	109.5°	109.5°
H131	C80	H132	109.5°	109.4°
C81	N24	H133	119.0°	121.6°
N24	C81	C82	112.4°	111.4°
N24	C81	H134	108.7°	109.1°
N24	C81	H135	108.7°	109.1°
C81	N24	C76	121.9°	116.8°
H133	N24	C76	119.0°	121.6°
C82	C81	H134	108.7°	109.2°
C82	C81	H135	108.8°	109.1°
C81	C82	O20	120.9°	121.7°
C81	C82	N25	116.1°	116.6°
H134	C81	H135	109.5°	109.0°
O20	C82	N25	123.0°	121.8°
C83	N25	H136	119.1°	118.3°
N25	C83	C84	109.8°	107.4°
N25	C83	C85	111.2°	109.9°
N25	C83	H137	109.0°	109.9°
C83	N25	C82	121.7°	123.4°
H136	N25	C82	119.1°	118.2°
C84	C83	C85	110.7°	109.9°
C84	C83	H137	108.1°	109.9°
C83	C84	O21	120.8°	117.8°
C83	C84	N29	116.3°	124.4°
C85	C83	H137	108.0°	109.9°
C83	C85	C86	114.9°	109.5°
C83	C85	H138	108.1°	109.5°
C83	C85	H139	108.1°	109.5°
O21	C84	N29	122.9°	117.8°
C86	C85	H138	108.1°	109.5°
C86	C85	H139	108.1°	109.5°
C85	C86	C87	110.7°	109.5°
C85	C86	H140	109.1°	109.5°
C85	C86	H141	109.2°	109.5°
H138	C85	H139	109.4°	109.4°
C87	C86	H140	109.2°	109.5°
C87	C86	H141	109.2°	109.5°
C86	C87	N26	112.0°	109.5°
C86	C87	H142	108.9°	109.5°
C86	C87	H143	108.8°	109.5°
H140	C86	H141	109.5°	109.4°
N26	C87	H142	108.8°	109.4°
N26	C87	H143	108.8°	109.5°
C87	N26	C88	124.4°	120.0°
C87	N26	H144	117.8°	120.0°
H142	C87	H143	109.5°	109.5°
C88	N26	H144	117.8°	120.0°
N26	C88	N27	120.4°	120.0°
N26	C88	N28	120.0°	120.0°
N27	C88	N28	119.6°	120.0°
C88	N27	H145	120.0°	120.0°
C88	N27	H146	120.0°	120.0°
C88	N28	H147	120.0°	120.0°
C88	N28	H148	120.0°	120.0°
H145	N27	H146	120.0°	120.0°
H147	N28	H148	120.0°	119.9°
C89	N29	H149	119.4°	121.4°
N29	C89	C90	112.7°	110.4°
N29	C89	C91	110.3°	110.3°
N29	C89	H150	108.5°	107.8°
C89	N29	C84	121.3°	117.1°
H149	N29	C84	119.3°	121.5°
C90	C89	C91	110.1°	110.5°
C90	C89	H150	107.6°	108.8°
C89	C90	O22	121.2°	120.8°
C89	C90	N30	115.1°	118.4°
C91	C89	H150	107.5°	109.0°
C89	C91	S4	113.6°	108.9°
C89	C91	H151	108.5°	109.5°
C89	C91	H152	108.4°	109.6°
O22	C90	N30	123.6°	120.8°
S4	C91	H151	108.4°	109.7°
S4	C91	H152	108.5°	109.5°
C91	S4	S1	108.8°	103.1°
H151	C91	H152	109.4°	109.6°
C92	N30	H153	118.6°	119.5°
N30	C92	C93	106.8°	109.3°
N30	C92	C94	110.5°	109.5°
N30	C92	H154	110.2°	109.5°
C92	N30	C90	122.8°	121.0°
H153	N30	C90	118.6°	119.5°
C93	C92	C94	110.7°	109.5°
C93	C92	H154	109.3°	109.5°
C92	C93	O23	120.4°	119.8°
C92	C93	N31	116.9°	120.3°
C94	C92	H154	109.4°	109.5°
C92	C94	H155	109.5°	109.4°
C92	C94	H156	109.5°	109.5°
C92	C94	H157	109.5°	109.4°
O23	C93	N31	122.6°	119.9°
H155	C94	H156	109.5°	109.5°
H155	C94	H157	109.5°	109.5°
H156	C94	H157	109.5°	109.4°
C95	N31	C98	112.0°	108.7°
N31	C95	C96	103.4°	107.4°
N31	C95	C99	110.5°	110.5°
N31	C95	H158	111.4°	109.9°
C95	N31	C93	119.1°	126.1°
N31	C98	C97	103.2°	107.3°
N31	C98	H163	111.0°	109.9°
N31	C98	H164	111.0°	109.9°
C98	N31	C93	128.9°	125.2°
C96	C95	C99	110.7°	109.3°
C96	C95	H158	110.3°	109.9°
C95	C96	C97	105.0°	105.6°
C95	C96	H159	110.6°	110.2°
C95	C96	H160	110.6°	110.3°
C99	C95	H158	110.5°	109.7°
C95	C99	O24	120.0°	120.0°
C95	C99	N32	116.6°	119.8°
C97	C96	H159	110.5°	110.2°
C97	C96	H160	110.5°	110.3°
C96	C97	C98	105.5°	106.5°
C96	C97	H161	110.4°	110.1°
C96	C97	H162	110.4°	110.1°
H159	C96	H160	109.5°	110.2°
C98	C97	H161	110.4°	110.0°
C98	C97	H162	110.5°	110.1°
C97	C98	H163	111.0°	109.9°
C97	C98	H164	111.0°	109.9°
H161	C97	H162	109.5°	110.0°
H163	C98	H164	109.5°	110.0°
O24	C99	N32	123.4°	120.2°
C100	N32	H165	119.0°	119.7°
N32	C100	C101	111.3°	110.0°
N32	C100	C102	110.8°	109.4°
N32	C100	H166	109.6°	109.4°
C100	N32	C99	122.0°	120.6°
H165	N32	C99	119.0°	119.7°
C101	C100	C102	107.9°	109.4°
C101	C100	H166	108.7°	109.4°
C100	C101	O25	120.2°	120.1°
C100	C101	N33	116.8°	119.8°
C102	C100	H166	108.5°	109.3°
C100	C102	O26	109.4°	109.4°
C100	C102	C103	110.8°	109.5°
C100	C102	H167	108.6°	109.4°
O25	C101	N33	123.0°	120.1°
O26	C102	C103	109.3°	109.5°
O26	C102	H167	110.0°	109.5°
C102	O26	H168	109.5°	114.0°
C103	C102	H167	108.8°	109.5°
C102	C103	H169	109.5°	109.5°
C102	C103	H170	109.5°	109.5°
C102	C103	H171	109.5°	109.5°
H169	C103	H170	109.5°	109.5°
H169	C103	H171	109.5°	109.4°
H170	C103	H171	109.5°	109.5°
C104	C105	O29	106.0°	109.5°
C105	C104	C117	110.7°	109.5°
C105	C104	H172	109.2°	109.4°
C105	C104	H173	109.1°	109.5°
C104	C105	H174	110.3°	109.5°
C104	C105	H175	110.3°	109.5°
O29	C105	H174	110.3°	109.5°
O29	C105	H175	110.3°	109.4°
C105	O29	H190	109.5°	114.0°
C104	C117	C116	112.8°	109.5°
C117	C104	H172	109.2°	109.5°
C117	C104	H173	109.2°	109.5°
C104	C117	H188	108.7°	109.5°
C104	C117	H189	108.7°	109.5°
C117	C116	C115	110.5°	109.5°
C117	C116	H186	109.2°	109.4°
C117	C116	H187	109.2°	109.5°
C116	C117	H188	108.6°	109.5°
C116	C117	H189	108.6°	109.4°
C116	C115	O28	105.9°	109.5°
C116	C115	H184	110.3°	109.5°
C116	C115	H185	110.4°	109.4°
C115	C116	H186	109.2°	109.5°
C115	C116	H187	109.2°	109.5°
C115	O28	C114	113.9°	117.0°
O28	C115	H184	110.3°	109.5°
O28	C115	H185	110.3°	109.5°
O28	C114	C112	121.6°	120.1°
O28	C114	C113	117.5°	120.0°
C112	C114	C113	120.9°	119.9°
C114	C112	C110	118.9°	119.9°
C114	C112	H182	120.5°	120.0°
C114	C113	C111	118.8°	119.9°
C114	C113	H183	120.6°	120.0°
C112	C110	C109	121.1°	120.1°
C112	C110	H180	119.5°	120.0°
C110	C112	H182	120.6°	120.1°
C113	C111	C109	121.6°	120.1°
C113	C111	H181	119.2°	119.9°
C111	C113	H183	120.5°	120.1°
C110	C109	C111	118.7°	120.1°
C110	C109	C108	121.1°	119.9°
C109	C110	H180	119.4°	119.9°
C111	C109	C108	120.2°	120.0°
C109	C111	H181	119.2°	120.0°
C109	C108	C107	119.4°	109.5°
C109	C108	H178	106.9°	109.5°
C109	C108	H179	106.9°	109.4°
C108	C107	N33	110.6°	109.4°
C108	C107	C106	106.1°	109.4°
C108	C107	H177	109.6°	109.4°
C107	C108	H178	106.9°	109.5°
C107	C108	H179	106.9°	109.5°
N33	C107	C106	110.3°	109.9°
C107	N33	H176	119.2°	120.4°
N33	C107	H177	110.5°	109.4°
C107	N33	C101	121.7°	119.2°
C107	C106	O27	122.0°	120.0°
C106	C107	H177	109.7°	109.4°
C107	C106	N34	114.9°	119.9°
O27	C106	N34	123.1°	120.1°
H172	C104	H173	109.5°	109.5°
H174	C105	H175	109.5°	109.4°
H176	N33	C101	119.2°	120.4°
H178	C108	H179	109.5°	109.5°
H184	C115	H185	109.5°	109.5°
H186	C116	H187	109.5°	109.5°
H188	C117	H189	109.5°	109.5°
C118	N34	H191	118.8°	119.7°
N34	C118	C119	110.3°	109.5°
N34	C118	C120	110.4°	110.5°
N34	C118	H192	109.6°	109.3°
C118	N34	C106	122.4°	120.7°
H191	N34	C106	118.8°	119.6°
C119	C118	C120	109.2°	109.0°
C119	C118	H192	108.7°	109.3°
C118	C119	O30	120.6°	119.9°
C118	C119	N35	116.2°	120.2°
C120	C118	H192	108.6°	109.2°
C118	C120	S5	113.6°	110.0°
C118	C120	H193	108.4°	109.5°
C118	C120	H194	108.4°	109.5°
O30	C119	N35	123.2°	119.9°
S5	C120	H193	108.4°	109.1°
S5	C120	H194	108.4°	109.2°
C120	S5	S2	110.4°	103.1°
H193	C120	H194	109.5°	109.5°
C121	N35	H195	119.0°	119.8°
N35	C121	C122	110.2°	109.5°
N35	C121	C123	110.4°	109.5°
N35	C121	H196	109.2°	109.5°
C121	N35	C119	122.1°	120.4°
H195	N35	C119	118.9°	119.8°
C122	C121	C123	110.2°	109.4°
C122	C121	H196	108.4°	109.5°
C121	C122	O31	120.7°	119.9°
C121	C122	N36	115.9°	120.2°
C123	C121	H196	108.4°	109.4°
C121	C123	H197	109.5°	109.5°
C121	C123	H198	109.5°	109.5°
C121	C123	H199	109.5°	109.4°
O31	C122	N36	123.3°	119.9°
H197	C123	H198	109.4°	109.5°
H197	C123	H199	109.5°	109.4°
H198	C123	H199	109.5°	109.5°
C124	N36	H200	119.0°	120.2°
N36	C124	C125	110.7°	109.4°
N36	C124	C126	110.1°	110.5°
N36	C124	H201	109.2°	109.5°
C124	N36	C122	122.1°	119.6°
H200	N36	C122	118.9°	120.1°
C125	C124	C126	110.3°	109.1°
C125	C124	H201	108.3°	109.4°
C124	C125	O32	120.7°	120.0°
C124	C125	N37	115.9°	120.0°
C126	C124	H201	108.2°	108.8°
C124	C126	S6	113.7°	110.1°
C124	C126	H202	108.4°	109.5°
C124	C126	H203	108.4°	109.5°
O32	C125	N37	123.4°	120.0°
S6	C126	H202	108.4°	109.0°
S6	C126	H203	108.4°	109.2°
C126	S6	S3	110.3°	103.0°
H202	C126	H203	109.5°	109.5°
C127	N37	H204	118.7°	120.0°
N37	C127	C128	103.1°	109.5°
N37	C127	C129	117.4°	109.5°
N37	C127	H205	109.9°	109.5°
C127	N37	C125	122.6°	120.0°
H204	N37	C125	118.7°	120.0°
C128	C127	C129	108.4°	109.5°
C128	C127	H205	108.8°	109.5°
C127	C128	O33	123.0°	120.0°
C127	C128	N38	116.4°	120.0°
C129	C127	H205	108.8°	109.4°
C127	C129	C130	111.3°	109.5°
C127	C129	C131	108.1°	109.4°
C127	C129	H206	109.0°	109.5°
O33	C128	N38	120.7°	120.0°
C130	C129	C131	109.7°	109.5°
C130	C129	H206	109.4°	109.5°
C129	C130	H207	109.5°	109.5°
C129	C130	H208	109.5°	109.5°
C129	C130	H209	109.5°	109.4°
C131	C129	H206	109.3°	109.5°
C129	C131	H210	109.5°	109.5°
C129	C131	H211	109.5°	109.5°
C129	C131	H212	109.5°	109.5°
H207	C130	H208	109.5°	109.5°
H207	C130	H209	109.5°	109.4°
H208	C130	H209	109.5°	109.5°
H210	C131	H211	109.4°	109.4°
H210	C131	H212	109.4°	109.5°
H211	C131	H212	109.5°	109.5°
H213	N38	H214	120.0°	120.0°
H213	N38	C128	120.0°	120.0°
H214	N38	C128	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C3	H1	119.6°	119.9°
C2	C1	C3	H2	119.6°	120.0°
C2	C1	H1	H2	121.1°	120.1°
C1	C2	O1	N1	141.8°	180.0°
C2	C1	C3	S1	52.6°	175.0°
C2	C1	C3	H3	67.1°	64.9°
C2	C1	C3	H4	172.3°	54.8°
C1	C2	N1	C4	160.8°	179.6°
C1	C2	N1	H5	19.2°	0.5°
C3	C1	H1	H2	121.2°	120.1°
C3	C1	C2	O1	156.7°	8.0°
C1	C3	S1	H3	119.7°	120.1°
C1	C3	S1	H4	119.7°	120.2°
C1	C3	H3	H4	120.9°	119.9°
C3	C1	C2	N1	62.4°	172.0°
C1	C3	S1	S4	48.1°	151.7°
H1	C1	C2	O1	83.7°	127.9°
H1	C1	C3	S1	172.2°	55.1°
H1	C1	C3	H3	52.5°	175.2°
H1	C1	C3	H4	68.1°	65.1°
H1	C1	C2	N1	57.2°	52.1°
H2	C1	C2	O1	37.1°	112.0°
H2	C1	C3	S1	67.0°	65.0°
H2	C1	C3	H3	173.3°	55.1°
H2	C1	C3	H4	52.7°	174.9°
H2	C1	C2	N1	178.0°	68.0°
O1	C2	N1	C4	63.2°	0.4°
O1	C2	N1	H5	116.8°	179.5°
S1	C3	H3	H4	120.9°	119.8°
C3	S1	S4	C91	72.2°	159.2°
H3	C3	S1	S4	167.8°	88.2°
H4	C3	S1	S4	71.6°	31.5°
C4	N1	H5	C2	180.0°	179.9°
N1	C4	C5	C6	123.1°	120.2°
N1	C4	C5	H6	119.1°	120.1°
N1	C4	C6	H6	118.3°	119.8°
N1	C4	C5	O2	81.4°	21.9°
N1	C4	C6	C7	87.0°	57.7°
N1	C4	C6	H7	33.5°	177.7°
N1	C4	C6	H8	152.6°	62.2°
N1	C4	C5	N3	99.7°	158.1°
H5	N1	C4	C5	102.8°	35.3°
H5	N1	C4	C6	20.9°	84.9°
H5	N1	C4	H6	138.6°	155.3°
C5	C4	C6	H6	117.9°	119.8°
C4	C5	O2	N3	178.8°	179.9°
C5	C4	C6	C7	149.2°	62.7°
C5	C4	C6	H7	90.3°	57.3°
C5	C4	C6	H8	28.7°	177.4°
C4	C5	N3	C8	167.3°	180.0°
C4	C5	N3	H11	12.7°	0.1°
C5	C4	N1	C2	77.2°	144.8°
C6	C4	C5	O2	41.7°	98.3°
C4	C6	C7	H7	120.5°	120.0°
C4	C6	C7	H8	120.5°	120.0°
C4	C6	H7	H8	118.5°	120.0°
C4	C6	C7	O3	41.6°	4.2°
C4	C6	C7	N2	138.1°	175.8°
C6	C4	N1	C2	159.1°	95.0°
C6	C4	C5	N3	137.3°	81.7°
H6	C4	C5	O2	159.5°	141.9°
H6	C4	C6	C7	31.3°	177.6°
H6	C4	C6	H7	151.8°	62.4°
H6	C4	C6	H8	89.1°	57.6°
H6	C4	N1	C2	41.4°	24.8°
H6	C4	C5	N3	19.4°	38.0°
O2	C5	N3	C8	13.8°	0.0°
O2	C5	N3	H11	166.2°	180.0°
C7	C6	H7	H8	118.5°	120.0°
C6	C7	O3	N2	179.7°	180.0°
C6	C7	N2	H9	179.8°	0.0°
C6	C7	N2	H10	0.2°	180.0°
H7	C6	C7	O3	162.1°	115.8°
H7	C6	C7	N2	17.7°	64.2°
H8	C6	C7	O3	78.8°	124.2°
H8	C6	C7	N2	101.4°	55.8°
O3	C7	N2	H9	0.0°	180.0°
O3	C7	N2	H10	180.0°	0.0°
C7	N2	H9	H10	180.0°	180.0°
C8	N3	H11	C5	180.0°	179.9°
N3	C8	C9	C10	121.5°	120.0°
N3	C8	C9	H12	121.4°	120.0°
N3	C8	C10	H12	118.7°	119.9°
N3	C8	C9	O4	157.7°	10.9°
N3	C8	C10	C11	178.5°	70.3°
N3	C8	C10	H13	57.6°	49.7°
N3	C8	C10	H14	60.6°	169.6°
N3	C8	C9	N4	21.3°	169.2°
H11	N3	C8	C9	117.3°	61.1°
H11	N3	C8	C10	3.6°	178.8°
H11	N3	C8	H12	121.8°	58.9°
C9	C8	C10	H12	117.2°	120.0°
C8	C9	O4	N4	178.9°	179.9°
C9	C8	C10	C11	57.4°	169.6°
C9	C8	C10	H13	178.3°	70.4°
C9	C8	C10	H14	63.5°	49.6°
C8	C9	N4	C14	166.9°	179.9°
C8	C9	N4	H22	13.1°	0.1°
C9	C8	N3	C5	62.7°	118.9°
C10	C8	C9	O4	80.8°	131.0°
C8	C10	C11	H13	120.9°	120.0°
C8	C10	C11	H14	120.9°	120.0°
C8	C10	H13	H14	117.3°	120.0°
C8	C10	C11	C12	61.5°	172.6°
C8	C10	C11	C13	175.3°	67.4°
C8	C10	C11	H15	56.6°	52.6°
C10	C8	N3	C5	176.4°	1.1°
C10	C8	C9	N4	100.2°	49.1°
H12	C8	C9	O4	36.3°	109.1°
H12	C8	C10	C11	59.8°	49.6°
H12	C8	C10	H13	61.1°	169.6°
H12	C8	C10	H14	179.4°	70.4°
H12	C8	N3	C5	58.3°	121.0°
H12	C8	C9	N4	142.7°	70.8°
O4	C9	N4	C14	14.1°	0.0°
O4	C9	N4	H22	165.9°	180.0°
C11	C10	H13	H14	117.3°	120.0°
C10	C11	C12	C13	123.4°	120.0°
C10	C11	C12	H15	118.0°	120.0°
C10	C11	C13	H15	118.6°	120.0°
C10	C11	C12	H16	180.0°	60.0°
C10	C11	C12	H17	60.0°	180.0°
C10	C11	C12	H18	60.0°	60.0°
C10	C11	C13	H19	180.0°	60.0°
C10	C11	C13	H20	60.0°	180.0°
C10	C11	C13	H21	60.0°	60.0°
H13	C10	C11	C12	59.4°	52.6°
H13	C10	C11	C13	63.8°	172.5°
H13	C10	C11	H15	177.5°	67.4°
H14	C10	C11	C12	177.7°	67.4°
H14	C10	C11	C13	54.4°	52.6°
H14	C10	C11	H15	64.3°	172.6°
C12	C11	C13	H15	118.7°	120.1°
C11	C12	H16	H17	120.0°	120.0°
C11	C12	H16	H18	120.0°	120.0°
C11	C12	H17	H18	120.0°	119.9°
C12	C11	C13	H19	57.3°	180.0°
C12	C11	C13	H20	62.7°	60.0°
C12	C11	C13	H21	177.2°	60.0°
C13	C11	C12	H16	56.7°	60.0°
C13	C11	C12	H17	176.6°	60.1°
C13	C11	C12	H18	63.4°	180.0°
C11	C13	H19	H20	120.0°	120.0°
C11	C13	H19	H21	120.0°	120.0°
C11	C13	H20	H21	120.0°	120.0°
H15	C11	C12	H16	62.0°	180.0°
H15	C11	C12	H17	58.0°	60.0°
H15	C11	C12	H18	178.0°	59.9°
H15	C11	C13	H19	61.4°	60.0°
H15	C11	C13	H20	178.6°	60.0°
H15	C11	C13	H21	58.6°	180.0°
H16	C12	H17	H18	120.0°	120.0°
H19	C13	H20	H21	120.0°	120.0°
C14	N4	H22	C9	180.0°	180.0°
N4	C14	C15	C16	121.2°	120.0°
N4	C14	C15	H23	120.2°	120.1°
N4	C14	C16	H23	118.4°	119.8°
N4	C14	C15	O5	134.2°	19.6°
N4	C14	C16	C17	171.8°	65.0°
N4	C14	C16	H24	67.6°	55.0°
N4	C14	C16	H25	51.1°	175.0°
N4	C14	C15	N7	46.7°	160.4°
H22	N4	C14	C15	86.9°	26.8°
H22	N4	C14	C16	35.6°	93.3°
H22	N4	C14	H23	153.4°	146.9°
C15	C14	C16	H23	118.6°	119.9°
C14	C15	O5	N7	179.1°	180.0°
C15	C14	C16	C17	48.7°	174.7°
C15	C14	C16	H24	169.4°	65.3°
C15	C14	C16	H25	71.9°	54.7°
C14	C15	N7	C20	167.9°	179.2°
C14	C15	N7	H30	12.1°	0.9°
C15	C14	N4	C9	93.1°	153.1°
C16	C14	C15	O5	104.6°	100.5°
C14	C16	C17	H24	120.6°	120.0°
C14	C16	C17	H25	120.6°	120.0°
C14	C16	H24	H25	118.0°	120.0°
C14	C16	C17	N5	68.4°	95.1°
C14	C16	C17	C18	111.5°	85.3°
C16	C14	N4	C9	144.5°	86.8°
C16	C14	C15	N7	74.6°	79.5°
H23	C14	C15	O5	13.9°	139.6°
H23	C14	C16	C17	69.8°	54.8°
H23	C14	C16	H24	50.8°	174.9°
H23	C14	C16	H25	169.5°	65.2°
H23	C14	N4	C9	26.6°	33.1°
H23	C14	C15	N7	166.9°	40.4°
O5	C15	N7	C20	13.0°	0.9°
O5	C15	N7	H30	167.0°	179.1°
C17	C16	H24	H25	118.0°	120.0°
C16	C17	N5	C18	179.9°	179.7°
C16	C17	N5	C19	179.8°	180.0°
C16	C17	N5	H26	0.2°	0.1°
C16	C17	C18	N6	179.9°	180.0°
C16	C17	C18	H27	0.2°	0.0°
H24	C16	C17	N5	52.3°	25.0°
H24	C16	C17	C18	127.8°	154.7°
H25	C16	C17	N5	171.0°	145.0°
H25	C16	C17	C18	9.1°	34.7°
C17	N5	C19	H26	180.0°	180.0°
N5	C17	C18	N6	0.2°	0.3°
N5	C17	C18	H27	179.8°	179.7°
C17	N5	C19	N6	0.2°	0.1°
C17	N5	C19	H28	179.8°	179.9°
C18	C17	N5	C19	0.2°	0.3°
C18	C17	N5	H26	179.7°	179.8°
C17	C18	N6	H27	180.0°	180.0°
C17	C18	N6	C19	0.1°	0.2°
C17	C18	N6	H29	179.9°	180.0°
N5	C19	N6	C18	0.0°	0.0°
N5	C19	N6	H28	180.0°	180.0°
N5	C19	N6	H29	180.0°	179.8°
H26	N5	C19	N6	179.8°	179.9°
H26	N5	C19	H28	0.2°	0.0°
C18	N6	C19	H29	180.0°	179.8°
C18	N6	C19	H28	180.0°	179.9°
H27	C18	N6	C19	179.9°	179.8°
H27	C18	N6	H29	0.2°	0.0°
H28	C19	N6	H29	0.0°	0.1°
C20	N7	H30	C15	180.0°	180.0°
N7	C20	C21	C22	119.9°	120.1°
N7	C20	C21	H31	119.7°	120.0°
N7	C20	C22	H31	122.0°	119.9°
N7	C20	C21	O6	142.6°	17.6°
N7	C20	C22	C23	52.1°	63.0°
N7	C20	C22	H32	68.6°	177.0°
N7	C20	C22	H33	172.8°	57.0°
N7	C20	C21	N8	36.3°	162.4°
H30	N7	C20	C21	123.3°	4.4°
H30	N7	C20	C22	3.8°	124.5°
H30	N7	C20	H31	117.6°	115.7°
C21	C20	C22	H31	120.4°	119.9°
C20	C21	O6	N8	178.8°	180.0°
C21	C20	C22	C23	169.7°	57.2°
C21	C20	C22	H32	49.0°	62.8°
C21	C20	C22	H33	69.6°	177.2°
C20	C21	N8	C29	179.8°	179.7°
C20	C21	N8	H39	0.2°	0.2°
C21	C20	N7	C15	56.7°	175.6°
C22	C20	C21	O6	97.4°	102.5°
C20	C22	C23	H32	120.7°	120.0°
C20	C22	C23	H33	120.7°	120.0°
C20	C22	H32	H33	117.9°	120.0°
C20	C22	C23	C24	22.5°	96.8°
C20	C22	C23	C25	157.5°	83.4°
C22	C20	N7	C15	176.2°	55.5°
C22	C20	C21	N8	83.7°	77.6°
H31	C20	C21	O6	22.9°	137.6°
H31	C20	C22	C23	69.9°	177.1°
H31	C20	C22	H32	169.4°	57.1°
H31	C20	C22	H33	50.8°	62.9°
H31	C20	N7	C15	62.4°	64.4°
H31	C20	C21	N8	156.0°	42.3°
O6	C21	N8	C29	1.3°	0.3°
O6	C21	N8	H39	178.7°	179.7°
C23	C22	H32	H33	117.9°	120.0°
C22	C23	C24	C25	180.0°	179.8°
C22	C23	C24	C26	179.9°	180.0°
C22	C23	C24	H34	0.1°	0.0°
C22	C23	C25	C27	180.0°	180.0°
C22	C23	C25	H35	0.0°	0.1°
H32	C22	C23	C24	143.2°	23.1°
H32	C22	C23	C25	36.8°	156.7°
H33	C22	C23	C24	98.2°	143.2°
H33	C22	C23	C25	81.8°	36.6°
C23	C24	C26	H34	180.0°	180.0°
C24	C23	C25	C27	0.0°	0.2°
C24	C23	C25	H35	180.0°	179.7°
C23	C24	C26	C28	0.1°	0.0°
C23	C24	C26	H36	179.8°	180.0°
C25	C23	C24	C26	0.1°	0.2°
C25	C23	C24	H34	179.9°	179.8°
C23	C25	C27	H35	180.0°	179.9°
C23	C25	C27	C28	0.0°	0.0°
C23	C25	C27	H37	180.0°	179.9°
C24	C26	C28	H36	180.0°	180.0°
C24	C26	C28	C27	0.1°	0.2°
C24	C26	C28	H38	179.9°	180.0°
H34	C24	C26	C28	179.9°	180.0°
H34	C24	C26	H36	0.1°	0.0°
C25	C27	C28	C26	0.0°	0.2°
C25	C27	C28	H37	180.0°	180.0°
C25	C27	C28	H38	180.0°	179.9°
H35	C25	C27	C28	180.0°	180.0°
H35	C25	C27	H37	0.0°	0.0°
C26	C28	C27	H38	180.0°	179.9°
C26	C28	C27	H37	180.0°	179.7°
H36	C26	C28	C27	179.9°	179.8°
H36	C26	C28	H38	0.2°	0.1°
H37	C27	C28	H38	0.0°	0.1°
C29	N8	H39	C21	180.0°	179.9°
N8	C29	C30	C31	122.7°	121.2°
N8	C29	C30	H40	119.9°	119.0°
N8	C29	C31	H40	118.5°	119.4°
N8	C29	C30	O7	123.3°	20.2°
N8	C29	C31	S2	179.7°	73.2°
N8	C29	C31	H41	59.0°	46.8°
N8	C29	C31	H42	59.5°	166.8°
N8	C29	C30	N9	57.2°	159.9°
H39	N8	C29	C30	113.5°	106.8°
H39	N8	C29	C31	9.2°	131.6°
H39	N8	C29	H40	127.1°	12.2°
C30	C29	C31	H40	117.4°	119.8°
C29	C30	O7	N9	179.5°	179.9°
C30	C29	C31	S2	56.2°	165.9°
C30	C29	C31	H41	176.9°	74.0°
C30	C29	C31	H42	64.6°	46.0°
C29	C30	N9	C32	177.6°	164.9°
C29	C30	N9	H43	2.4°	14.9°
C30	C29	N8	C21	66.5°	73.2°
C31	C29	C30	O7	114.0°	101.0°
C29	C31	S2	H41	120.7°	120.0°
C29	C31	S2	H42	120.7°	119.9°
C29	C31	H41	H42	117.7°	120.0°
C31	C29	N8	C21	170.8°	48.3°
C31	C29	C30	N9	65.6°	79.0°
C29	C31	S2	S5	62.7°	131.0°
H40	C29	C30	O7	3.4°	139.2°
H40	C29	C31	S2	61.2°	46.2°
H40	C29	C31	H41	59.5°	166.2°
H40	C29	C31	H42	178.0°	73.8°
H40	C29	N8	C21	52.9°	167.8°
H40	C29	C30	N9	177.1°	40.9°
O7	C30	N9	C32	2.9°	15.1°
O7	C30	N9	H43	177.1°	165.0°
S2	C31	H41	H42	117.7°	120.1°
C31	S2	S5	C120	77.9°	158.2°
H41	C31	S2	S5	58.0°	109.0°
H42	C31	S2	S5	176.5°	11.1°
C32	N9	H43	C30	180.0°	179.9°
N9	C32	C33	C34	122.4°	120.4°
N9	C32	C33	H44	119.4°	120.3°
N9	C32	C34	H44	119.7°	119.3°
N9	C32	C33	O8	144.7°	37.0°
N9	C32	C34	C35	77.7°	65.0°
N9	C32	C34	H45	43.0°	55.0°
N9	C32	C34	H46	161.7°	175.0°
N9	C32	C33	N11	34.8°	142.9°
H43	N9	C32	C33	119.0°	52.1°
H43	N9	C32	C34	3.0°	68.3°
H43	N9	C32	H44	122.2°	172.4°
C33	C32	C34	H44	118.3°	119.3°
C32	C33	O8	N11	179.4°	179.9°
C33	C32	C34	C35	160.3°	173.7°
C33	C32	C34	H45	79.1°	66.3°
C33	C32	C34	H46	39.7°	53.7°
C32	C33	N11	C37	177.9°	171.2°
C32	C33	N11	H51	2.1°	8.7°
C33	C32	N9	C30	61.0°	128.0°
C34	C32	C33	O8	92.9°	157.4°
C32	C34	C35	H45	120.6°	120.0°
C32	C34	C35	H46	120.7°	120.1°
C32	C34	H45	H46	118.1°	120.0°
C32	C34	C35	C36	170.7°	180.0°
C32	C34	C35	H47	68.9°	60.0°
C32	C34	C35	H48	50.2°	60.0°
C34	C32	N9	C30	177.0°	111.6°
C34	C32	C33	N11	87.6°	22.5°
H44	C32	C33	O8	25.3°	83.2°
H44	C32	C34	C35	42.0°	54.3°
H44	C32	C34	H45	162.6°	174.4°
H44	C32	C34	H46	78.6°	65.7°
H44	C32	N9	C30	57.8°	7.8°
H44	C32	C33	N11	154.2°	96.8°
O8	C33	N11	C37	1.6°	8.8°
O8	C33	N11	H51	178.4°	171.2°
C35	C34	H45	H46	118.0°	119.9°
C34	C35	C36	H47	120.5°	120.0°
C34	C35	C36	H48	120.5°	120.0°
C34	C35	H47	H48	118.5°	120.0°
C34	C35	C36	O9	17.7°	0.0°
C34	C35	C36	N10	162.2°	180.0°
H45	C34	C35	C36	50.0°	60.0°
H45	C34	C35	H47	170.5°	180.0°
H45	C34	C35	H48	70.4°	60.0°
H46	C34	C35	C36	68.7°	60.0°
H46	C34	C35	H47	51.8°	60.1°
H46	C34	C35	H48	170.8°	180.0°
C36	C35	H47	H48	118.4°	120.0°
C35	C36	O9	N10	179.9°	180.0°
C35	C36	N10	H49	179.9°	0.0°
C35	C36	N10	H50	0.1°	180.0°
H47	C35	C36	O9	138.2°	120.0°
H47	C35	C36	N10	41.7°	60.0°
H48	C35	C36	O9	102.8°	120.1°
H48	C35	C36	N10	77.3°	60.0°
O9	C36	N10	H49	0.0°	180.0°
O9	C36	N10	H50	180.0°	0.0°
C36	N10	H49	H50	180.0°	180.0°
C37	N11	H51	C33	180.0°	179.9°
N11	C37	C38	C39	122.0°	120.2°
N11	C37	C38	H52	119.7°	120.2°
N11	C37	C39	H52	119.3°	119.5°
N11	C37	C38	O10	151.5°	12.8°
N11	C37	C39	C40	179.9°	65.0°
N11	C37	C39	H53	59.0°	55.0°
N11	C37	C39	H54	58.8°	175.0°
N11	C37	C38	N12	28.6°	167.2°
H51	N11	C37	C38	112.9°	59.5°
H51	N11	C37	C39	9.3°	60.8°
H51	N11	C37	H52	128.0°	179.7°
C38	C37	C39	H52	118.3°	119.7°
C37	C38	O10	N12	179.9°	180.0°
C38	C37	C39	C40	57.5°	174.2°
C38	C37	C39	H53	178.6°	65.7°
C38	C37	C39	H54	63.7°	54.2°
C37	C38	N12	C43	178.2°	177.6°
C37	C38	N12	H62	1.8°	2.4°
C38	C37	N11	C33	67.1°	120.6°
C39	C37	C38	O10	86.4°	107.4°
C37	C39	C40	H53	121.1°	120.0°
C37	C39	C40	H54	121.2°	120.0°
C37	C39	H53	H54	116.5°	119.9°
C37	C39	C40	C41	54.5°	175.0°
C37	C39	C40	C42	177.3°	64.9°
C37	C39	C40	H55	64.3°	55.0°
C39	C37	N11	C33	170.7°	119.1°
C39	C37	C38	N12	93.5°	72.6°
H52	C37	C38	O10	31.8°	133.0°
H52	C37	C39	C40	60.8°	54.5°
H52	C37	C39	H53	60.3°	174.6°
H52	C37	C39	H54	178.0°	65.5°
H52	C37	N11	C33	52.0°	0.4°
H52	C37	C38	N12	148.3°	47.0°
O10	C38	N12	C43	1.8°	2.4°
O10	C38	N12	H62	178.2°	177.6°
C40	C39	H53	H54	116.4°	120.0°
C39	C40	C41	C42	122.1°	120.0°
C39	C40	C41	H55	118.8°	120.0°
C39	C40	C42	H55	118.3°	120.0°
C39	C40	C41	H56	180.0°	60.0°
C39	C40	C41	H57	60.0°	180.0°
C39	C40	C41	H58	60.0°	59.9°
C39	C40	C42	H59	180.0°	60.0°
C39	C40	C42	H60	60.0°	180.0°
C39	C40	C42	H61	60.0°	60.1°
H53	C39	C40	C41	66.6°	55.0°
H53	C39	C40	C42	56.2°	175.0°
H53	C39	C40	H55	174.5°	65.0°
H54	C39	C40	C41	175.7°	65.0°
H54	C39	C40	C42	61.5°	55.0°
H54	C39	C40	H55	56.8°	175.0°
C41	C40	C42	H55	119.0°	120.0°
C40	C41	H56	H57	120.0°	120.0°
C40	C41	H56	H58	120.0°	119.9°
C40	C41	H57	H58	120.0°	120.0°
C41	C40	C42	H59	57.3°	180.0°
C41	C40	C42	H60	62.7°	60.0°
C41	C40	C42	H61	177.3°	60.0°
C42	C40	C41	H56	57.9°	60.0°
C42	C40	C41	H57	177.9°	60.0°
C42	C40	C41	H58	62.2°	180.0°
C40	C42	H59	H60	120.0°	120.0°
C40	C42	H59	H61	120.0°	120.0°
C40	C42	H60	H61	120.0°	120.0°
H55	C40	C41	H56	61.2°	180.0°
H55	C40	C41	H57	58.9°	60.0°
H55	C40	C41	H58	178.8°	60.1°
H55	C40	C42	H59	61.7°	60.0°
H55	C40	C42	H60	178.3°	60.0°
H55	C40	C42	H61	58.3°	180.0°
H56	C41	H57	H58	120.0°	120.0°
H59	C42	H60	H61	120.0°	120.0°
C43	N12	H62	C38	180.0°	180.0°
N12	C43	C44	C45	121.9°	119.8°
N12	C43	C44	H63	120.3°	119.9°
N12	C43	C45	H63	119.9°	120.3°
N12	C43	C44	O11	134.0°	47.8°
N12	C43	C45	C46	84.0°	177.1°
N12	C43	C45	H64	36.8°	62.9°
N12	C43	C45	H65	155.1°	57.1°
N12	C43	C44	N16	46.6°	132.1°
H62	N12	C43	C44	96.6°	42.2°
H62	N12	C43	C45	24.2°	161.9°
H62	N12	C43	H63	143.6°	77.7°
C44	C43	C45	H63	117.8°	120.4°
C43	C44	O11	N16	179.4°	179.9°
C44	C43	C45	C46	153.7°	57.7°
C44	C43	C45	H64	85.5°	177.8°
C44	C43	C45	H65	32.8°	62.3°
C43	C44	N16	C49	175.4°	175.0°
C43	C44	N16	H75	4.6°	5.1°
C44	C43	N12	C38	83.4°	137.8°
C45	C43	C44	O11	104.2°	72.0°
C43	C45	C46	H64	120.8°	120.0°
C43	C45	C46	H65	120.9°	120.0°
C43	C45	H64	H65	117.4°	120.0°
C43	C45	C46	C47	175.7°	175.1°
C43	C45	C46	H66	64.2°	55.1°
C43	C45	C46	H67	55.6°	65.0°
C45	C43	N12	C38	155.8°	18.0°
C45	C43	C44	N16	75.3°	108.1°
H63	C43	C44	O11	13.7°	167.6°
H63	C43	C45	C46	35.8°	62.6°
H63	C43	C45	H64	156.6°	57.4°
H63	C43	C45	H65	85.0°	177.4°
H63	C43	N12	C38	36.4°	102.3°
H63	C43	C44	N16	166.9°	12.2°
O11	C44	N16	C49	4.0°	4.9°
O11	C44	N16	H75	176.0°	175.0°
C46	C45	H64	H65	117.4°	120.0°
C45	C46	C47	H66	120.1°	120.0°
C45	C46	C47	H67	120.1°	119.9°
C45	C46	H66	H67	119.7°	120.0°
C45	C46	C47	N13	63.0°	180.0°
C45	C46	C47	H68	176.7°	60.0°
C45	C46	C47	H69	57.3°	60.1°
H64	C45	C46	C47	54.9°	64.9°
H64	C45	C46	H66	175.0°	175.1°
H64	C45	C46	H67	65.2°	55.1°
H65	C45	C46	C47	63.5°	55.1°
H65	C45	C46	H66	56.6°	64.9°
H65	C45	C46	H67	176.5°	175.0°
C47	C46	H66	H67	119.7°	120.0°
C46	C47	N13	H68	120.3°	120.0°
C46	C47	N13	H69	120.3°	119.9°
C46	C47	H68	H69	119.1°	120.0°
C46	C47	N13	C48	157.5°	180.0°
C46	C47	N13	H70	22.5°	0.0°
H66	C46	C47	N13	57.1°	60.0°
H66	C46	C47	H68	63.2°	180.0°
H66	C46	C47	H69	177.4°	60.0°
H67	C46	C47	N13	176.9°	60.0°
H67	C46	C47	H68	56.6°	60.0°
H67	C46	C47	H69	62.8°	180.0°
N13	C47	H68	H69	119.1°	120.0°
C47	N13	C48	H70	180.0°	180.0°
C47	N13	C48	N14	0.4°	0.0°
C47	N13	C48	N15	179.9°	180.0°
H68	C47	N13	C48	82.2°	60.0°
H68	C47	N13	H70	97.8°	120.0°
H69	C47	N13	C48	37.3°	60.0°
H69	C47	N13	H70	142.7°	119.9°
N13	C48	N14	N15	179.6°	180.0°
N13	C48	N14	H71	179.6°	0.0°
N13	C48	N14	H72	0.4°	180.0°
N13	C48	N15	H73	179.6°	0.0°
N13	C48	N15	H74	0.4°	180.0°
H70	N13	C48	N14	179.6°	180.0°
H70	N13	C48	N15	0.1°	0.0°
C48	N14	H71	H72	180.0°	180.0°
N14	C48	N15	H73	0.0°	180.0°
N14	C48	N15	H74	180.0°	0.1°
N15	C48	N14	H71	0.0°	179.9°
N15	C48	N14	H72	180.0°	0.0°
C48	N15	H73	H74	180.0°	179.9°
C49	N16	H75	C44	180.0°	179.9°
N16	C49	C50	C51	123.1°	119.5°
N16	C49	C50	H76	119.5°	120.1°
N16	C49	C51	H76	118.5°	120.3°
N16	C49	C50	O12	147.0°	25.6°
N16	C49	C51	S3	67.4°	56.4°
N16	C49	C51	H77	53.2°	63.7°
N16	C49	C51	H78	171.9°	176.5°
N16	C49	C50	N17	33.1°	154.4°
H75	N16	C49	C50	111.5°	82.6°
H75	N16	C49	C51	11.6°	157.9°
H75	N16	C49	H76	129.5°	37.6°
C50	C49	C51	H76	117.4°	120.4°
C49	C50	O12	N17	179.9°	180.0°
C50	C49	C51	S3	168.5°	175.8°
C50	C49	C51	H77	70.9°	55.7°
C50	C49	C51	H78	47.8°	64.2°
C49	C50	N17	C52	180.0°	178.0°
C49	C50	N17	H79	0.0°	2.0°
C50	C49	N16	C44	68.6°	97.5°
C51	C49	C50	O12	89.9°	145.1°
C49	C51	S3	H77	120.7°	120.1°
C49	C51	S3	H78	120.7°	120.1°
C49	C51	H77	H78	118.0°	119.8°
C51	C49	N16	C44	168.4°	22.0°
C51	C49	C50	N17	90.0°	34.9°
C49	C51	S3	S6	71.2°	154.6°
H76	C49	C50	O12	27.5°	94.6°
H76	C49	C51	S3	51.1°	63.8°
H76	C49	C51	H77	171.7°	176.1°
H76	C49	C51	H78	69.6°	56.3°
H76	C49	N16	C44	50.4°	142.3°
H76	C49	C50	N17	152.6°	85.4°
O12	C50	N17	C52	0.1°	2.0°
O12	C50	N17	H79	179.9°	178.0°
S3	C51	H77	H78	118.0°	119.9°
C51	S3	S6	C126	81.4°	143.2°
H77	C51	S3	S6	168.1°	85.4°
H78	C51	S3	S6	49.4°	34.5°
C52	N17	H79	C50	180.0°	180.0°
N17	C52	C53	C54	123.9°	120.0°
N17	C52	C53	H80	118.4°	120.1°
N17	C52	C54	H80	119.4°	120.0°
N17	C52	C53	O13	154.5°	2.7°
N17	C52	C54	C55	147.8°	64.5°
N17	C52	C54	H81	27.2°	175.6°
N17	C52	C54	H82	91.6°	55.5°
N17	C52	C53	N19	24.7°	177.3°
H79	N17	C52	C53	114.2°	3.1°
H79	N17	C52	C54	8.8°	116.9°
H79	N17	C52	H80	127.8°	123.1°
C53	C52	C54	H80	117.7°	119.9°
C52	C53	O13	N19	179.1°	180.0°
C53	C52	C54	C55	89.4°	55.6°
C53	C52	C54	H81	150.0°	64.4°
C53	C52	C54	H82	31.2°	175.6°
C52	C53	N19	C58	175.5°	177.8°
C52	C53	N19	H92	4.5°	2.3°
C53	C52	N17	C50	65.8°	177.0°
C54	C52	C53	O13	81.6°	117.4°
C52	C54	C55	H81	120.6°	119.9°
C52	C54	C55	H82	120.6°	120.0°
C52	C54	H81	H82	118.2°	120.0°
C52	C54	C55	C56	70.5°	174.9°
C52	C54	C55	H83	169.2°	55.0°
C52	C54	C55	H84	49.8°	65.1°
C54	C52	N17	C50	171.2°	63.0°
C54	C52	C53	N19	99.2°	62.7°
H80	C52	C53	O13	36.0°	122.7°
H80	C52	C54	C55	28.3°	175.5°
H80	C52	C54	H81	92.2°	55.6°
H80	C52	C54	H82	148.9°	64.5°
H80	C52	N17	C50	52.2°	56.9°
H80	C52	C53	N19	143.1°	57.2°
O13	C53	N19	C58	3.7°	2.3°
O13	C53	N19	H92	176.3°	177.7°
C55	C54	H81	H82	118.1°	120.1°
C54	C55	C56	H83	120.3°	119.9°
C54	C55	C56	H84	120.3°	120.0°
C54	C55	H83	H84	119.1°	120.1°
C54	C55	C56	C57	170.5°	180.0°
C54	C55	C56	H85	50.1°	60.0°
C54	C55	C56	H86	69.1°	60.0°
H81	C54	C55	C56	50.0°	65.1°
H81	C54	C55	H83	70.2°	174.9°
H81	C54	C55	H84	170.3°	54.8°
H82	C54	C55	C56	168.9°	55.0°
H82	C54	C55	H83	48.6°	64.9°
H82	C54	C55	H84	70.8°	174.9°
C56	C55	H83	H84	119.1°	120.0°
C55	C56	C57	H85	120.4°	120.0°
C55	C56	C57	H86	120.4°	120.0°
C55	C56	H85	H86	118.8°	120.0°
C55	C56	C57	N18	171.8°	180.0°
C55	C56	C57	H87	67.8°	60.0°
C55	C56	C57	H88	51.5°	60.0°
H83	C55	C56	C57	69.2°	60.1°
H83	C55	C56	H85	170.4°	180.0°
H83	C55	C56	H86	51.2°	59.9°
H84	C55	C56	C57	50.2°	60.0°
H84	C55	C56	H85	70.2°	59.9°
H84	C55	C56	H86	170.6°	179.9°
C57	C56	H85	H86	118.8°	120.0°
C56	C57	N18	H87	120.3°	120.0°
C56	C57	N18	H88	120.3°	120.0°
C56	C57	H87	H88	119.0°	120.0°
C56	C57	N18	H89	180.0°	180.0°
C56	C57	N18	H90	60.0°	60.0°
C56	C57	N18	H91	60.0°	60.0°
H85	C56	C57	N18	51.4°	60.0°
H85	C56	C57	H87	171.8°	180.0°
H85	C56	C57	H88	68.9°	60.0°
H86	C56	C57	N18	67.8°	60.0°
H86	C56	C57	H87	52.6°	60.0°
H86	C56	C57	H88	171.9°	180.0°
N18	C57	H87	H88	119.0°	120.0°
C57	N18	H89	H90	120.0°	120.0°
C57	N18	H89	H91	120.0°	120.0°
C57	N18	H90	H91	120.0°	120.0°
H87	C57	N18	H89	59.7°	60.0°
H87	C57	N18	H90	179.7°	180.0°
H87	C57	N18	H91	60.3°	60.0°
H88	C57	N18	H89	59.7°	60.0°
H88	C57	N18	H90	60.4°	60.0°
H88	C57	N18	H91	179.6°	180.0°
H89	N18	H90	H91	120.0°	120.0°
C58	N19	H92	C53	180.0°	180.0°
N19	C58	C59	C60	122.3°	120.3°
N19	C58	C59	H93	119.8°	120.3°
N19	C58	C60	H93	119.6°	119.6°
N19	C58	C59	O14	173.9°	5.0°
N19	C58	C60	O15	58.9°	173.2°
N19	C58	C60	H94	61.4°	66.8°
N19	C58	C60	H95	179.2°	53.2°
N19	C58	C59	N20	7.4°	174.9°
H92	N19	C58	C59	101.4°	23.6°
H92	N19	C58	C60	20.3°	143.9°
H92	N19	C58	H93	139.3°	96.7°
C59	C58	C60	H93	117.9°	119.4°
C58	C59	O14	N20	178.7°	180.0°
C59	C58	C60	O15	178.6°	52.2°
C59	C58	C60	H94	61.1°	172.2°
C59	C58	C60	H95	58.3°	67.8°
C58	C59	N20	C61	176.4°	179.4°
C58	C59	N20	H97	3.5°	0.6°
C59	C58	N19	C53	78.6°	156.4°
C60	C58	C59	O14	63.8°	125.4°
C58	C60	O15	H94	120.3°	120.0°
C58	C60	O15	H95	120.3°	120.0°
C58	C60	H94	H95	119.2°	120.0°
C58	C60	O15	H96	180.0°	180.0°
C60	C58	N19	C53	159.7°	36.1°
C60	C58	C59	N20	114.9°	54.6°
H93	C58	C59	O14	54.1°	115.3°
H93	C58	C60	O15	60.7°	67.2°
H93	C58	C60	H94	179.0°	52.8°
H93	C58	C60	H95	59.6°	172.7°
H93	C58	N19	C53	40.6°	83.4°
H93	C58	C59	N20	127.2°	64.8°
O14	C59	N20	C61	4.9°	0.6°
O14	C59	N20	H97	175.2°	179.4°
O15	C60	H94	H95	119.1°	120.0°
H94	C60	O15	H96	59.7°	60.0°
H95	C60	O15	H96	59.7°	60.0°
C61	N20	H97	C59	180.0°	180.0°
N20	C61	C62	C63	122.6°	119.9°
N20	C61	C62	H98	119.4°	119.9°
N20	C61	C63	H98	119.2°	120.1°
N20	C61	C62	O16	177.6°	13.6°
N20	C61	C63	C64	87.2°	52.5°
N20	C61	C63	H99	33.7°	172.5°
N20	C61	C63	H100	151.8°	67.5°
N20	C61	C62	N21	2.6°	166.4°
H97	N20	C61	C62	75.7°	29.3°
H97	N20	C61	C63	46.7°	90.6°
H97	N20	C61	H98	165.4°	149.2°
C62	C61	C63	H98	118.1°	120.2°
C61	C62	O16	N21	179.8°	179.9°
C62	C61	C63	C64	150.1°	67.1°
C62	C61	C63	H99	89.0°	52.9°
C62	C61	C63	H100	29.1°	172.9°
C61	C62	N21	C67	179.1°	179.2°
C61	C62	N21	H108	0.9°	0.8°
C62	C61	N20	C59	104.2°	150.7°
C63	C61	C62	O16	55.0°	133.5°
C61	C63	C64	H99	121.0°	120.0°
C61	C63	C64	H100	121.0°	120.0°
C61	C63	H99	H100	117.0°	120.0°
C61	C63	C64	C65	53.6°	68.7°
C61	C63	C64	C66	176.6°	171.3°
C61	C63	C64	H101	65.3°	51.3°
C63	C61	N20	C59	133.3°	89.4°
C63	C61	C62	N21	125.2°	46.5°
H98	C61	C62	O16	63.1°	106.3°
H98	C61	C63	C64	32.0°	172.7°
H98	C61	C63	H99	152.9°	67.4°
H98	C61	C63	H100	89.0°	52.7°
H98	C61	N20	C59	14.6°	30.8°
H98	C61	C62	N21	116.7°	73.8°
O16	C62	N21	C67	1.1°	0.9°
O16	C62	N21	H108	178.9°	179.1°
C64	C63	H99	H100	117.1°	120.0°
C63	C64	C65	C66	122.8°	120.0°
C63	C64	C65	H101	118.8°	120.0°
C63	C64	C66	H101	118.1°	120.0°
C63	C64	C65	H102	180.0°	171.5°
C63	C64	C65	H103	60.0°	68.5°
C63	C64	C65	H104	60.0°	51.4°
C63	C64	C66	H105	180.0°	59.9°
C63	C64	C66	H106	60.0°	180.0°
C63	C64	C66	H107	60.0°	60.0°
H99	C63	C64	C65	67.4°	51.3°
H99	C63	C64	C66	55.6°	68.7°
H99	C63	C64	H101	173.7°	171.3°
H100	C63	C64	C65	174.6°	171.3°
H100	C63	C64	C66	62.5°	51.3°
H100	C63	C64	H101	55.6°	68.7°
C65	C64	C66	H101	118.4°	119.9°
C64	C65	H102	H103	120.0°	120.0°
C64	C65	H102	H104	120.0°	120.0°
C64	C65	H103	H104	120.0°	120.0°
C65	C64	C66	H105	56.4°	180.0°
C65	C64	C66	H106	63.6°	60.0°
C65	C64	C66	H107	176.4°	60.1°
C66	C64	C65	H102	57.2°	51.4°
C66	C64	C65	H103	177.2°	171.5°
C66	C64	C65	H104	62.8°	68.6°
C64	C66	H105	H106	120.0°	120.1°
C64	C66	H105	H107	120.0°	119.9°
C64	C66	H106	H107	120.0°	120.0°
H101	C64	C65	H102	61.1°	68.5°
H101	C64	C65	H103	58.9°	51.5°
H101	C64	C65	H104	178.8°	171.5°
H101	C64	C66	H105	61.9°	60.1°
H101	C64	C66	H106	178.0°	59.9°
H101	C64	C66	H107	58.0°	180.0°
H102	C65	H103	H104	120.0°	120.0°
H105	C66	H106	H107	119.9°	119.9°
C67	N21	H108	C62	180.0°	180.0°
N21	C67	C68	H109	120.4°	120.1°
N21	C67	C68	H110	120.4°	120.1°
N21	C67	H109	H110	118.6°	119.8°
N21	C67	C68	O17	165.9°	18.6°
N21	C67	C68	N22	15.2°	161.4°
H108	N21	C67	C68	93.5°	4.0°
H108	N21	C67	H109	26.9°	116.1°
H108	N21	C67	H110	146.0°	124.1°
C68	C67	H109	H110	118.6°	119.8°
C67	C68	O17	N22	178.8°	180.0°
C67	C68	N22	C69	170.9°	0.3°
C67	C68	N22	H111	9.2°	179.7°
C68	C67	N21	C62	86.5°	176.0°
H109	C67	C68	O17	73.7°	101.5°
H109	C67	N21	C62	153.1°	63.9°
H109	C67	C68	N22	105.2°	78.4°
H110	C67	C68	O17	45.5°	138.8°
H110	C67	N21	C62	34.0°	55.9°
H110	C67	C68	N22	135.7°	41.3°
O17	C68	N22	C69	10.3°	179.7°
O17	C68	N22	H111	169.6°	0.3°
C69	N22	H111	C68	180.0°	180.0°
N22	C69	C70	C71	121.3°	120.1°
N22	C69	C70	H112	120.7°	120.1°
N22	C69	C71	H112	119.1°	119.9°
N22	C69	C70	O18	13.1°	21.6°
N22	C69	C71	C72	50.7°	43.1°
N22	C69	C71	H113	70.2°	163.0°
N22	C69	C71	H114	171.6°	76.9°
N22	C69	C70	N23	167.2°	158.4°
H111	N22	C69	C70	47.0°	4.7°
H111	N22	C69	C71	74.2°	124.8°
H111	N22	C69	H112	167.3°	115.3°
C70	C69	C71	H112	118.1°	119.9°
C69	C70	O18	N23	179.7°	180.0°
C70	C69	C71	C72	173.5°	77.1°
C70	C69	C71	H113	52.6°	42.8°
C70	C69	C71	H114	65.5°	162.9°
C69	C70	N23	C75	175.9°	179.3°
C69	C70	N23	H122	4.1°	0.5°
C70	C69	N22	C68	132.9°	175.2°
C71	C69	C70	O18	108.2°	141.7°
C69	C71	C72	H113	120.9°	120.0°
C69	C71	C72	H114	121.0°	120.0°
C69	C71	H113	H114	117.1°	120.1°
C69	C71	C72	C73	172.7°	169.0°
C69	C71	C72	C74	64.4°	71.0°
C69	C71	C72	H115	54.4°	49.0°
C71	C69	N22	C68	105.8°	55.2°
C71	C69	C70	N23	71.5°	38.3°
H112	C69	C70	O18	133.8°	98.5°
H112	C69	C71	C72	68.4°	162.9°
H112	C69	C71	H113	170.7°	77.1°
H112	C69	C71	H114	52.5°	43.0°
H112	C69	N22	C68	12.7°	64.7°
H112	C69	C70	N23	46.5°	81.6°
O18	C70	N23	C75	3.8°	0.7°
O18	C70	N23	H122	176.2°	179.4°
C72	C71	H113	H114	117.0°	119.9°
C71	C72	C73	C74	123.1°	120.0°
C71	C72	C73	H115	118.3°	120.0°
C71	C72	C74	H115	118.7°	120.0°
C71	C72	C73	H116	180.0°	60.0°
C71	C72	C73	H117	60.0°	180.0°
C71	C72	C73	H118	60.0°	60.0°
C71	C72	C74	H119	180.0°	36.9°
C71	C72	C74	H120	60.0°	83.2°
C71	C72	C74	H121	60.0°	156.9°
H113	C71	C72	C73	51.8°	49.0°
H113	C71	C72	C74	174.7°	169.0°
H113	C71	C72	H115	66.5°	71.0°
H114	C71	C72	C73	66.3°	71.0°
H114	C71	C72	C74	56.6°	49.0°
H114	C71	C72	H115	175.3°	169.1°
C73	C72	C74	H115	118.6°	119.9°
C72	C73	H116	H117	120.0°	120.0°
C72	C73	H116	H118	120.0°	120.0°
C72	C73	H117	H118	120.0°	120.1°
C73	C72	C74	H119	57.3°	83.1°
C73	C72	C74	H120	62.7°	156.8°
C73	C72	C74	H121	177.3°	36.8°
C74	C72	C73	H116	56.9°	60.0°
C74	C72	C73	H117	176.9°	59.9°
C74	C72	C73	H118	63.1°	180.0°
C72	C74	H119	H120	120.0°	120.0°
C72	C74	H119	H121	120.0°	120.0°
C72	C74	H120	H121	120.0°	120.0°
H115	C72	C73	H116	61.7°	180.0°
H115	C72	C73	H117	58.3°	60.0°
H115	C72	C73	H118	178.2°	60.0°
H115	C72	C74	H119	61.3°	156.9°
H115	C72	C74	H120	178.6°	36.9°
H115	C72	C74	H121	58.6°	83.1°
H116	C73	H117	H118	120.0°	120.0°
H119	C74	H120	H121	120.0°	120.0°
C75	N23	H122	C70	180.0°	179.9°
N23	C75	C76	C77	121.9°	119.9°
N23	C75	C76	H123	119.7°	119.9°
N23	C75	C77	H123	120.1°	120.3°
N23	C75	C76	O19	31.8°	26.0°
N23	C75	C77	C78	174.1°	53.4°
N23	C75	C77	H124	53.2°	173.5°
N23	C75	C77	H125	64.9°	66.6°
N23	C75	C76	N24	148.3°	154.1°
H122	N23	C75	C76	85.4°	32.6°
H122	N23	C75	C77	35.9°	87.3°
H122	N23	C75	H123	155.4°	152.4°
C76	C75	C77	H123	118.5°	120.2°
C75	C76	O19	N24	179.9°	179.9°
C76	C75	C77	C78	64.4°	66.2°
C76	C75	C77	H124	174.6°	53.9°
C76	C75	C77	H125	56.5°	173.8°
C75	C76	N24	C81	179.8°	178.8°
C75	C76	N24	H133	0.3°	1.3°
C76	C75	N23	C70	94.5°	147.6°
C77	C75	C76	O19	90.1°	145.9°
C75	C77	C78	H124	121.0°	120.0°
C75	C77	C78	H125	121.0°	120.0°
C75	C77	H124	H125	117.0°	119.9°
C75	C77	C78	C79	65.8°	63.4°
C75	C77	C78	C80	170.9°	176.6°
C75	C77	C78	H126	52.8°	56.7°
C77	C75	N23	C70	144.1°	92.6°
C77	C75	C76	N24	89.9°	34.2°
H123	C75	C76	O19	151.5°	93.9°
H123	C75	C77	C78	54.0°	173.7°
H123	C75	C77	H124	66.9°	66.3°
H123	C75	C77	H125	175.0°	53.6°
H123	C75	N23	C70	24.6°	27.7°
H123	C75	C76	N24	28.6°	86.0°
O19	C76	N24	C81	0.2°	1.3°
O19	C76	N24	H133	179.8°	178.7°
C78	C77	H124	H125	116.9°	120.0°
C77	C78	C79	C80	123.2°	120.0°
C77	C78	C79	H126	118.5°	120.0°
C77	C78	C80	H126	118.1°	120.0°
C77	C78	C79	H127	180.0°	175.7°
C77	C78	C79	H128	60.0°	64.3°
C77	C78	C79	H129	60.0°	55.7°
C77	C78	C80	H130	180.0°	60.0°
C77	C78	C80	H131	60.0°	180.0°
C77	C78	C80	H132	60.0°	60.0°
H124	C77	C78	C79	55.2°	56.7°
H124	C77	C78	C80	68.1°	63.3°
H124	C77	C78	H126	173.8°	176.7°
H125	C77	C78	C79	173.2°	176.6°
H125	C77	C78	C80	50.0°	56.7°
H125	C77	C78	H126	68.2°	63.3°
C79	C78	C80	H126	118.3°	120.0°
C78	C79	H127	H128	120.0°	120.0°
C78	C79	H127	H129	120.0°	120.0°
C78	C79	H128	H129	120.0°	120.0°
C79	C78	C80	H130	56.4°	180.0°
C79	C78	C80	H131	63.6°	60.0°
C79	C78	C80	H132	176.4°	60.0°
C80	C78	C79	H127	56.8°	55.7°
C80	C78	C79	H128	176.9°	175.8°
C80	C78	C79	H129	63.2°	64.3°
C78	C80	H130	H131	120.0°	120.0°
C78	C80	H130	H132	120.0°	120.0°
C78	C80	H131	H132	120.0°	120.0°
H126	C78	C79	H127	61.5°	64.3°
H126	C78	C79	H128	58.5°	55.8°
H126	C78	C79	H129	178.5°	175.7°
H126	C78	C80	H130	61.9°	60.0°
H126	C78	C80	H131	178.1°	60.1°
H126	C78	C80	H132	58.1°	180.0°
H127	C79	H128	H129	120.0°	120.0°
H130	C80	H131	H132	120.0°	120.0°
C81	N24	H133	C76	180.0°	180.0°
N24	C81	C82	H134	120.4°	120.5°
N24	C81	C82	H135	120.4°	120.5°
N24	C81	H134	H135	118.7°	119.0°
N24	C81	C82	O20	28.9°	5.2°
N24	C81	C82	N25	150.6°	174.8°
H133	N24	C81	C82	77.8°	12.3°
H133	N24	C81	H134	161.7°	132.9°
H133	N24	C81	H135	42.6°	108.2°
C82	C81	H134	H135	118.7°	119.1°
C81	C82	O20	N25	179.4°	180.0°
C81	C82	N25	C83	173.6°	179.8°
C81	C82	N25	H136	6.4°	0.2°
C82	C81	N24	C76	102.2°	167.7°
H134	C81	C82	O20	149.3°	125.7°
H134	C81	N24	C76	18.3°	47.2°
H134	C81	C82	N25	30.1°	54.3°
H135	C81	C82	O20	91.6°	115.3°
H135	C81	N24	C76	137.4°	71.8°
H135	C81	C82	N25	89.0°	64.7°
O20	C82	N25	C83	7.0°	0.2°
O20	C82	N25	H136	173.0°	179.8°
C83	N25	H136	C82	180.0°	179.9°
N25	C83	C84	C85	123.2°	119.5°
N25	C83	C84	H137	118.7°	119.5°
N25	C83	C85	H137	119.5°	121.1°
N25	C83	C84	O21	20.4°	2.6°
N25	C83	C85	C86	70.9°	59.6°
N25	C83	C85	H138	168.3°	179.5°
N25	C83	C85	H139	49.9°	60.5°
N25	C83	C84	N29	159.6°	177.4°
H136	N25	C83	C84	21.6°	13.5°
H136	N25	C83	C85	101.3°	133.0°
H136	N25	C83	H137	139.8°	106.0°
C84	C83	C85	H137	118.1°	121.0°
C83	C84	O21	N29	179.9°	180.0°
C84	C83	C85	C86	51.4°	58.4°
C84	C83	C85	H138	69.4°	61.6°
C84	C83	C85	H139	172.2°	178.4°
C83	C84	N29	C89	175.9°	177.8°
C83	C84	N29	H149	4.1°	2.2°
C84	C83	N25	C82	158.4°	166.4°
C85	C83	C84	O21	102.7°	116.8°
C83	C85	C86	H138	120.8°	120.0°
C83	C85	C86	H139	120.8°	120.0°
C83	C85	H138	H139	117.5°	120.0°
C83	C85	C86	C87	179.8°	175.1°
C83	C85	C86	H140	59.7°	64.9°
C83	C85	C86	H141	60.0°	55.1°
C85	C83	N25	C82	78.7°	47.0°
C85	C83	C84	N29	77.2°	63.2°
H137	C83	C84	O21	139.2°	122.1°
H137	C83	C85	C86	169.6°	179.4°
H137	C83	C85	H138	48.8°	59.4°
H137	C83	C85	H139	69.6°	60.6°
H137	C83	N25	C82	40.2°	74.1°
H137	C83	C84	N29	40.9°	57.9°
O21	C84	N29	C89	4.1°	2.3°
O21	C84	N29	H149	175.9°	177.8°
C86	C85	H138	H139	117.5°	120.0°
C85	C86	C87	H140	120.2°	120.0°
C85	C86	C87	H141	120.2°	120.0°
C85	C86	H140	H141	119.4°	120.0°
C85	C86	C87	N26	176.2°	180.0°
C85	C86	C87	H142	55.9°	60.0°
C85	C86	C87	H143	63.4°	60.0°
H138	C85	C86	C87	59.4°	55.1°
H138	C85	C86	H140	179.5°	175.1°
H138	C85	C86	H141	60.8°	64.9°
H139	C85	C86	C87	59.0°	64.9°
H139	C85	C86	H140	61.2°	55.1°
H139	C85	C86	H141	179.2°	175.1°
C87	C86	H140	H141	119.5°	120.0°
C86	C87	N26	H142	120.4°	120.0°
C86	C87	N26	H143	120.4°	120.0°
C86	C87	H142	H143	118.9°	120.0°
C86	C87	N26	C88	168.6°	179.9°
C86	C87	N26	H144	11.3°	0.0°
H140	C86	C87	N26	63.6°	60.0°
H140	C86	C87	H142	176.0°	179.9°
H140	C86	C87	H143	56.8°	60.0°
H141	C86	C87	N26	56.1°	60.0°
H141	C86	C87	H142	64.3°	60.0°
H141	C86	C87	H143	176.4°	180.0°
N26	C87	H142	H143	118.8°	120.0°
C87	N26	C88	H144	180.0°	179.9°
C87	N26	C88	N27	0.6°	0.1°
C87	N26	C88	N28	179.8°	180.0°
H142	C87	N26	C88	71.0°	60.0°
H142	C87	N26	H144	109.0°	120.1°
H143	C87	N26	C88	48.3°	59.9°
H143	C87	N26	H144	131.7°	120.0°
N26	C88	N27	N28	179.6°	179.9°
N26	C88	N27	H145	179.6°	0.1°
N26	C88	N27	H146	0.4°	179.9°
N26	C88	N28	H147	179.6°	0.1°
N26	C88	N28	H148	0.4°	179.9°
H144	N26	C88	N27	179.4°	180.0°
H144	N26	C88	N28	0.2°	0.1°
C88	N27	H145	H146	179.9°	180.0°
N27	C88	N28	H147	0.0°	180.0°
N27	C88	N28	H148	180.0°	0.0°
N28	C88	N27	H145	0.0°	180.0°
N28	C88	N27	H146	180.0°	0.0°
C88	N28	H147	H148	180.0°	180.0°
C89	N29	H149	C84	180.0°	180.0°
N29	C89	C90	C91	123.6°	122.3°
N29	C89	C90	H150	119.5°	118.1°
N29	C89	C91	H150	118.1°	118.2°
N29	C89	C90	O22	45.1°	38.3°
N29	C89	C91	S4	69.9°	112.9°
N29	C89	C91	H151	50.7°	7.1°
N29	C89	C91	H152	169.4°	127.3°
N29	C89	C90	N30	133.8°	141.8°
H149	N29	C89	C90	100.5°	48.5°
H149	N29	C89	C91	23.0°	73.8°
H149	N29	C89	H150	140.5°	167.2°
C90	C89	C91	H150	116.9°	119.5°
C89	C90	O22	N30	178.8°	179.9°
C90	C89	C91	S4	165.1°	124.8°
C90	C89	C91	H151	74.3°	115.2°
C90	C89	C91	H152	44.5°	5.0°
C89	C90	N30	C92	170.7°	179.6°
C89	C90	N30	H153	9.3°	0.3°
C90	C89	N29	C84	79.5°	131.4°
C91	C89	C90	O22	78.5°	84.0°
C89	C91	S4	H151	120.6°	119.9°
C89	C91	S4	H152	120.6°	119.8°
C89	C91	H151	H152	118.1°	120.2°
C89	C91	S4	S1	37.1°	139.1°
C91	C89	N29	C84	157.0°	106.2°
C91	C89	C90	N30	102.5°	96.0°
H150	C89	C90	O22	164.5°	156.4°
H150	C89	C91	S4	48.2°	5.4°
H150	C89	C91	H151	168.8°	125.3°
H150	C89	C91	H152	72.5°	114.4°
H150	C89	N29	C84	39.5°	12.7°
H150	C89	C90	N30	14.4°	23.6°
O22	C90	N30	C92	10.4°	0.4°
O22	C90	N30	H153	169.6°	179.7°
S4	C91	H151	H152	118.1°	120.3°
H151	C91	S4	S1	157.7°	101.0°
H152	C91	S4	S1	83.6°	19.3°
C92	N30	H153	C90	180.0°	179.9°
N30	C92	C93	C94	120.2°	120.0°
N30	C92	C93	H154	119.2°	119.9°
N30	C92	C94	H154	121.5°	120.1°
N30	C92	C93	O23	96.4°	15.0°
N30	C92	C94	H155	180.0°	56.2°
N30	C92	C94	H156	60.0°	176.3°
N30	C92	C94	H157	60.0°	63.8°
N30	C92	C93	N31	83.0°	165.0°
H153	N30	C92	C93	63.6°	37.5°
H153	N30	C92	C94	56.8°	157.4°
H153	N30	C92	H154	177.8°	82.5°
C93	C92	C94	H154	120.5°	120.1°
C92	C93	O23	N31	179.3°	180.0°
C93	C92	C94	H155	62.0°	63.6°
C93	C92	C94	H156	178.0°	56.4°
C93	C92	C94	H157	58.0°	176.4°
C92	C93	N31	C95	169.1°	174.3°
C92	C93	N31	C98	13.0°	5.0°
C93	C92	N30	C90	116.4°	142.4°
C94	C92	C93	O23	23.8°	105.0°
C92	C94	H155	H156	120.0°	120.0°
C92	C94	H155	H157	120.0°	120.0°
C92	C94	H156	H157	120.0°	119.9°
C94	C92	N30	C90	123.2°	22.5°
C94	C92	C93	N31	156.8°	75.1°
H154	C92	C93	O23	144.4°	135.0°
H154	C92	C94	H155	58.5°	176.3°
H154	C92	C94	H156	61.5°	63.7°
H154	C92	C94	H157	178.5°	56.3°
H154	C92	N30	C90	2.2°	97.6°
H154	C92	C93	N31	36.2°	45.0°
O23	C93	N31	C95	10.2°	5.7°
O23	C93	N31	C98	167.7°	175.0°
H155	C94	H156	H157	120.0°	120.1°
C95	N31	C98	C93	178.0°	179.4°
N31	C95	C96	C99	118.3°	119.9°
N31	C95	C96	H158	119.1°	119.6°
N31	C95	C99	H158	123.6°	121.4°
N31	C95	C96	C97	22.8°	15.4°
N31	C95	C96	H159	96.5°	103.6°
N31	C95	C96	H160	142.1°	134.5°
C95	N31	C98	C97	16.0°	19.7°
C95	N31	C98	H163	135.0°	99.7°
C95	N31	C98	H164	103.0°	139.2°
N31	C95	C99	O24	52.0°	9.5°
N31	C95	C99	N32	127.2°	170.6°
C98	N31	C95	C96	4.1°	22.0°
C98	N31	C95	C99	114.4°	97.2°
C98	N31	C95	H158	122.5°	141.6°
N31	C98	C97	C96	30.2°	9.5°
N31	C98	C97	H163	119.0°	119.4°
N31	C98	C97	H164	119.0°	119.5°
N31	C98	C97	H161	149.5°	109.8°
N31	C98	C97	H162	89.2°	128.8°
N31	C98	H163	H164	122.9°	121.1°
C96	C95	C99	H158	122.5°	120.6°
C95	C96	C97	H159	119.3°	119.0°
C95	C96	C97	H160	119.3°	119.1°
C95	C96	H159	H160	122.1°	121.9°
C95	C96	C97	C98	33.4°	3.5°
C95	C96	C97	H161	152.7°	122.8°
C95	C96	C97	H162	86.0°	115.8°
C96	C95	C99	O24	61.9°	108.5°
C96	C95	N31	C93	174.2°	157.4°
C96	C95	C99	N32	119.0°	71.4°
C99	C95	C96	C97	95.5°	104.5°
C99	C95	C96	H159	145.2°	136.5°
C99	C95	C96	H160	23.8°	14.6°
C95	C99	O24	N32	179.1°	179.9°
C95	C99	N32	C100	179.8°	176.7°
C95	C99	N32	H165	0.2°	3.3°
C99	C95	N31	C93	67.4°	83.4°
H158	C95	C96	C97	142.0°	135.0°
H158	C95	C96	H159	22.7°	16.0°
H158	C95	C96	H160	98.8°	105.9°
H158	C95	C99	O24	175.6°	130.8°
H158	C95	N31	C93	55.8°	37.8°
H158	C95	C99	N32	3.5°	49.2°
C97	C96	H159	H160	122.0°	121.9°
C96	C97	C98	H161	119.4°	119.3°
C96	C97	C98	H162	119.3°	119.3°
C96	C97	H161	H162	121.8°	121.5°
C96	C97	C98	H163	149.1°	109.9°
C96	C97	C98	H164	88.8°	129.0°
H159	C96	C97	C98	85.9°	115.5°
H159	C96	C97	H161	33.4°	3.8°
H159	C96	C97	H162	154.7°	125.2°
H160	C96	C97	C98	152.7°	122.6°
H160	C96	C97	H161	88.0°	118.1°
H160	C96	C97	H162	33.3°	3.3°
C98	C97	H161	H162	121.9°	121.4°
C97	C98	H163	H164	122.9°	121.1°
C97	C98	N31	C93	165.9°	159.7°
H161	C97	C98	H163	91.5°	130.8°
H161	C97	C98	H164	30.5°	9.6°
H162	C97	C98	H163	29.8°	9.4°
H162	C97	C98	H164	151.8°	111.7°
H163	C98	N31	C93	47.0°	80.9°
H164	C98	N31	C93	75.0°	40.3°
O24	C99	N32	C100	0.7°	3.2°
O24	C99	N32	H165	179.3°	176.8°
C100	N32	H165	C99	180.0°	180.0°
N32	C100	C101	C102	121.8°	120.2°
N32	C100	C101	H166	120.8°	120.1°
N32	C100	C102	H166	120.4°	119.7°
N32	C100	C101	O25	175.3°	7.8°
N32	C100	C102	O26	59.1°	65.0°
N32	C100	C102	C103	61.5°	55.0°
N32	C100	C102	H167	179.2°	175.0°
N32	C100	C101	N33	4.5°	172.2°
H165	N32	C100	C101	88.7°	27.0°
H165	N32	C100	C102	31.4°	93.2°
H165	N32	C100	H166	151.1°	147.2°
C101	C100	C102	H166	117.6°	119.7°
C100	C101	O25	N33	179.8°	180.0°
C101	C100	C102	O26	62.9°	55.5°
C101	C100	C102	C103	176.5°	175.5°
C101	C100	C102	H167	57.1°	64.5°
C100	C101	N33	C107	175.4°	162.4°
C100	C101	N33	H176	4.6°	17.6°
C101	C100	N32	C99	91.3°	153.0°
C102	C100	C101	O25	53.5°	127.9°
C100	C102	O26	C103	121.5°	120.0°
C100	C102	O26	H167	119.2°	119.9°
C100	C102	C103	H167	119.2°	120.0°
C100	C102	O26	H168	180.0°	60.0°
C100	C102	C103	H169	180.0°	60.0°
C100	C102	C103	H170	60.0°	180.0°
C100	C102	C103	H171	60.0°	60.0°
C102	C100	N32	C99	148.6°	86.9°
C102	C100	C101	N33	126.3°	52.1°
H166	C100	C101	O25	63.9°	112.4°
H166	C100	C102	O26	179.5°	175.2°
H166	C100	C102	C103	58.9°	64.7°
H166	C100	C102	H167	60.5°	55.3°
H166	C100	N32	C99	28.9°	32.8°
H166	C100	C101	N33	116.3°	67.6°
O25	C101	N33	C107	4.4°	17.6°
O25	C101	N33	H176	175.6°	162.4°
O26	C102	C103	H167	120.1°	120.0°
O26	C102	C103	H169	59.4°	60.0°
O26	C102	C103	H170	179.4°	60.0°
O26	C102	C103	H171	60.6°	180.0°
C103	C102	O26	H168	58.6°	60.1°
C102	C103	H169	H170	120.0°	120.0°
C102	C103	H169	H171	120.0°	120.0°
C102	C103	H170	H171	120.0°	120.0°
H167	C102	O26	H168	60.8°	179.9°
H167	C102	C103	H169	60.8°	180.0°
H167	C102	C103	H170	59.2°	60.0°
H167	C102	C103	H171	179.2°	60.0°
H169	C103	H170	H171	120.0°	120.0°
C104	C105	O29	H174	119.5°	120.0°
C104	C105	O29	H175	119.5°	120.0°
C105	C104	C117	H172	120.2°	120.0°
C105	C104	C117	H173	120.2°	120.1°
C105	C104	C117	C116	93.9°	180.0°
C105	C104	H172	H173	119.4°	120.0°
C104	C105	H174	H175	121.6°	120.0°
C105	C104	C117	H188	26.6°	60.0°
C105	C104	C117	H189	145.6°	60.0°
C104	C105	O29	H190	180.0°	180.0°
O29	C105	C104	C117	54.7°	180.0°
O29	C105	C104	H172	174.9°	60.0°
O29	C105	C104	H173	65.5°	60.0°
O29	C105	H174	H175	121.6°	119.9°
C104	C117	C116	H188	120.5°	120.0°
C104	C117	C116	H189	120.5°	120.0°
C104	C117	C116	C115	177.5°	180.0°
C117	C104	H172	H173	119.5°	120.0°
C117	C104	C105	H174	174.2°	60.0°
C117	C104	C105	H175	64.7°	60.0°
C104	C117	C116	H186	62.4°	60.0°
C104	C117	C116	H187	57.4°	60.0°
C104	C117	H188	H189	118.5°	120.0°
C117	C116	C115	H186	120.1°	120.0°
C117	C116	C115	H187	120.2°	120.0°
C117	C116	C115	O28	142.8°	180.0°
C116	C117	C104	H172	145.9°	60.0°
C116	C117	C104	H173	26.3°	60.0°
C117	C116	C115	H184	23.4°	60.0°
C117	C116	C115	H185	97.8°	60.0°
C117	C116	H186	H187	119.5°	120.0°
C116	C117	H188	H189	118.5°	120.0°
C116	C115	O28	H184	119.4°	120.0°
C116	C115	O28	H185	119.5°	119.9°
C116	C115	O28	C114	176.8°	180.0°
C116	C115	H184	H185	121.6°	119.9°
C115	C116	H186	H187	119.5°	120.0°
C115	C116	C117	H188	57.0°	60.0°
C115	C116	C117	H189	62.0°	60.0°
C115	O28	C114	C112	114.9°	180.0°
C115	O28	C114	C113	65.1°	0.3°
O28	C115	H184	H185	121.6°	120.1°
O28	C115	C116	H186	97.1°	60.0°
O28	C115	C116	H187	22.7°	60.0°
O28	C114	C112	C113	179.9°	179.7°
O28	C114	C112	C110	180.0°	180.0°
O28	C114	C113	C111	179.9°	180.0°
O28	C114	C112	H182	0.0°	0.1°
O28	C114	C113	H183	0.1°	0.0°
C114	O28	C115	H184	57.3°	60.0°
C114	O28	C115	H185	63.8°	60.0°
C114	C112	C110	H182	180.0°	180.0°
C112	C114	C113	C111	0.0°	0.3°
C114	C112	C110	C109	0.3°	0.0°
C114	C112	C110	H180	179.7°	180.0°
C112	C114	C113	H183	180.0°	179.7°
C113	C114	C112	C110	0.1°	0.3°
C114	C113	C111	H183	180.0°	180.0°
C114	C113	C111	C109	0.1°	0.1°
C114	C113	C111	H181	179.9°	179.9°
C113	C114	C112	H182	179.9°	179.7°
C112	C110	C109	H180	180.0°	180.0°
C112	C110	C109	C111	0.4°	0.3°
C112	C110	C109	C108	179.4°	180.0°
C113	C111	C109	C110	0.3°	0.2°
C113	C111	C109	H181	180.0°	180.0°
C113	C111	C109	C108	179.3°	180.0°
C110	C109	C111	C108	179.0°	179.8°
C110	C109	C108	C107	67.1°	86.1°
C110	C109	C108	H178	54.3°	33.9°
C110	C109	C108	H179	171.5°	153.9°
C110	C109	C111	H181	179.7°	179.8°
C109	C110	C112	H182	179.7°	180.0°
C111	C109	C108	C107	113.9°	94.2°
C111	C109	C108	H178	124.7°	145.8°
C111	C109	C108	H179	7.4°	25.8°
C111	C109	C110	H180	179.6°	179.8°
C109	C111	C113	H183	179.9°	180.0°
C109	C108	C107	H178	121.4°	120.0°
C109	C108	C107	H179	121.4°	119.9°
C109	C108	C107	N33	57.3°	81.8°
C109	C108	C107	C106	176.9°	157.9°
C109	C108	C107	H177	64.7°	38.1°
C109	C108	H178	H179	115.5°	119.9°
C108	C109	C110	H180	0.6°	0.0°
C108	C109	C111	H181	0.7°	0.0°
C108	C107	N33	C106	117.1°	120.1°
C108	C107	N33	H177	121.5°	119.8°
C108	C107	C106	H177	118.3°	119.8°
C108	C107	C106	O27	98.1°	98.6°
C108	C107	N33	H176	45.2°	178.8°
C107	C108	H178	H179	115.5°	120.0°
C108	C107	N33	C101	134.8°	1.2°
C108	C107	C106	N34	81.1°	81.4°
N33	C107	C106	H177	121.9°	120.2°
N33	C107	C106	O27	21.7°	21.5°
C107	N33	H176	C101	180.0°	180.0°
N33	C107	C108	H178	178.7°	38.3°
N33	C107	C108	H179	64.1°	158.3°
N33	C107	C106	N34	159.1°	158.6°
C107	C106	O27	N34	179.1°	180.0°
C106	C107	N33	H176	71.8°	61.1°
C106	C107	C108	H178	61.7°	82.1°
C106	C107	C108	H179	55.5°	37.9°
C107	C106	N34	C118	174.5°	176.4°
C107	C106	N34	H191	5.4°	3.6°
C106	C107	N33	C101	108.2°	118.9°
O27	C106	C107	H177	143.7°	141.6°
O27	C106	N34	C118	4.6°	3.5°
O27	C106	N34	H191	175.4°	176.5°
H172	C104	C105	H174	65.6°	60.0°
H172	C104	C105	H175	55.5°	180.0°
H172	C104	C117	H188	93.6°	180.0°
H172	C104	C117	H189	25.4°	60.0°
H173	C104	C105	H174	54.0°	NaN°
H173	C104	C105	H175	175.1°	60.0°
H173	C104	C117	H188	146.8°	60.0°
H173	C104	C117	H189	94.2°	180.0°
H174	C105	O29	H190	60.6°	60.0°
H175	C105	O29	H190	60.5°	60.0°
H176	N33	C107	H177	166.7°	59.0°
H177	C107	C108	H178	56.7°	158.1°
H177	C107	C108	H179	173.9°	81.9°
H177	C107	N33	C101	13.3°	121.0°
H177	C107	C106	N34	37.2°	38.4°
H180	C110	C112	H182	0.3°	0.0°
H181	C111	C113	H183	0.1°	0.0°
H184	C115	C116	H186	143.5°	180.0°
H184	C115	C116	H187	96.8°	60.0°
H185	C115	C116	H186	22.4°	60.0°
H185	C115	C116	H187	142.1°	180.0°
H186	C116	C117	H188	177.1°	60.0°
H186	C116	C117	H189	58.2°	180.0°
H187	C116	C117	H188	63.1°	180.0°
H187	C116	C117	H189	177.9°	60.0°
C118	N34	H191	C106	180.0°	180.0°
N34	C118	C119	C120	121.5°	121.1°
N34	C118	C119	H192	120.2°	119.7°
N34	C118	C120	H192	120.2°	120.3°
N34	C118	C119	O30	44.3°	54.2°
N34	C118	C120	S5	174.3°	176.5°
N34	C118	C120	H193	65.0°	56.6°
N34	C118	C120	H194	53.7°	63.5°
N34	C118	C119	N35	136.0°	125.8°
H191	N34	C118	C119	90.9°	15.6°
H191	N34	C118	C120	29.9°	104.6°
H191	N34	C118	H192	149.5°	135.2°
C119	C118	C120	H192	118.4°	119.3°
C118	C119	O30	N35	179.7°	180.0°
C119	C118	C120	S5	52.9°	63.1°
C119	C118	C120	H193	173.5°	177.0°
C119	C118	C120	H194	67.7°	56.9°
C118	C119	N35	C121	177.8°	179.1°
C118	C119	N35	H195	2.2°	1.0°
C119	C118	N34	C106	89.1°	164.5°
C120	C118	C119	O30	77.2°	66.9°
C118	C120	S5	H193	120.6°	120.1°
C118	C120	S5	H194	120.6°	120.2°
C118	C120	H193	H194	118.1°	120.1°
C118	C120	S5	S2	58.4°	162.2°
C120	C118	N34	C106	150.1°	75.4°
C120	C118	C119	N35	102.5°	113.2°
H192	C118	C119	O30	164.5°	173.9°
H192	C118	C120	S5	65.5°	56.2°
H192	C118	C120	H193	55.1°	63.7°
H192	C118	C120	H194	173.9°	176.2°
H192	C118	N34	C106	30.5°	44.8°
H192	C118	C119	N35	15.8°	6.1°
O30	C119	N35	C121	1.9°	0.9°
O30	C119	N35	H195	178.1°	179.0°
S5	C120	H193	H194	118.1°	119.5°
H193	C120	S5	S2	62.2°	42.1°
H194	C120	S5	S2	179.0°	77.6°
C121	N35	H195	C119	180.0°	179.9°
N35	C121	C122	C123	122.1°	120.0°
N35	C121	C122	H196	119.4°	120.1°
N35	C121	C123	H196	119.5°	120.0°
N35	C121	C122	O31	38.7°	14.2°
N35	C121	C123	H197	180.0°	60.0°
N35	C121	C123	H198	60.0°	179.9°
N35	C121	C123	H199	60.0°	60.0°
N35	C121	C122	N36	141.4°	165.7°
H195	N35	C121	C122	46.4°	10.2°
H195	N35	C121	C123	75.6°	130.2°
H195	N35	C121	H196	165.3°	109.8°
C122	C121	C123	H196	118.4°	120.0°
C121	C122	O31	N36	179.9°	180.0°
C122	C121	C123	H197	58.0°	60.0°
C122	C121	C123	H198	178.0°	60.1°
C122	C121	C123	H199	62.0°	180.0°
C121	C122	N36	C124	179.6°	179.2°
C121	C122	N36	H200	0.4°	0.8°
C122	C121	N35	C119	133.6°	169.7°
C123	C121	C122	O31	83.5°	105.8°
C121	C123	H197	H198	120.0°	120.1°
C121	C123	H197	H199	120.0°	119.9°
C121	C123	H198	H199	120.0°	120.0°
C123	C121	N35	C119	104.4°	49.7°
C123	C121	C122	N36	96.4°	74.3°
H196	C121	C122	O31	158.1°	134.3°
H196	C121	C123	H197	60.4°	180.0°
H196	C121	C123	H198	59.5°	59.9°
H196	C121	C123	H199	179.6°	60.1°
H196	C121	N35	C119	14.7°	70.2°
H196	C121	C122	N36	22.0°	45.7°
O31	C122	N36	C124	0.3°	0.9°
O31	C122	N36	H200	179.7°	179.1°
H197	C123	H198	H199	120.0°	120.0°
C124	N36	H200	C122	180.0°	180.0°
N36	C124	C125	C126	122.1°	121.0°
N36	C124	C125	H201	119.6°	120.0°
N36	C124	C126	H201	119.3°	120.3°
N36	C124	C125	O32	30.9°	20.0°
N36	C124	C126	S6	62.5°	168.6°
N36	C124	C126	H202	58.1°	48.8°
N36	C124	C126	H203	176.9°	71.3°
N36	C124	C125	N37	149.1°	160.1°
H200	N36	C124	C125	78.3°	58.0°
H200	N36	C124	C126	44.0°	62.2°
H200	N36	C124	H201	162.6°	177.9°
C125	C124	C126	H201	118.3°	119.3°
C124	C125	O32	N37	180.0°	180.0°
C125	C124	C126	S6	175.1°	71.0°
C125	C124	C126	H202	64.3°	169.1°
C125	C124	C126	H203	54.5°	49.1°
C124	C125	N37	C127	177.2°	180.0°
C124	C125	N37	H204	2.8°	0.0°
C125	C124	N36	C122	101.7°	122.0°
C126	C124	C125	O32	91.2°	101.1°
C124	C126	S6	H202	120.6°	120.2°
C124	C126	S6	H203	120.6°	120.2°
C124	C126	H202	H203	118.1°	120.0°
C124	C126	S6	S3	40.9°	179.7°
C126	C124	N36	C122	136.1°	117.8°
C126	C124	C125	N37	88.8°	78.9°
H201	C124	C125	O32	150.6°	140.0°
H201	C124	C126	S6	56.8°	48.3°
H201	C124	C126	H202	177.4°	71.5°
H201	C124	C126	H203	63.8°	168.4°
H201	C124	N36	C122	17.4°	2.1°
H201	C124	C125	N37	29.4°	40.1°
O32	C125	N37	C127	2.8°	0.0°
O32	C125	N37	H204	177.2°	180.0°
S6	C126	H202	H203	118.1°	119.4°
H202	C126	S6	S3	161.5°	59.6°
H203	C126	S6	S3	79.7°	60.0°
C127	N37	H204	C125	180.0°	180.0°
N37	C127	C128	C129	125.1°	120.0°
N37	C127	C128	H205	116.7°	120.1°
N37	C127	C129	H205	125.6°	120.0°
N37	C127	C128	O33	61.4°	2.9°
N37	C127	C129	C130	170.3°	64.7°
N37	C127	C129	C131	49.8°	55.3°
N37	C127	C129	H206	68.9°	175.3°
N37	C127	C128	N38	118.5°	177.1°
H204	N37	C127	C128	42.7°	95.0°
H204	N37	C127	C129	76.4°	25.0°
H204	N37	C127	H205	158.6°	145.0°
C128	C127	C129	H205	118.2°	120.0°
C127	C128	O33	N38	180.0°	180.0°
C128	C127	C129	C130	73.4°	175.3°
C128	C127	C129	C131	166.1°	64.7°
C128	C127	C129	H206	47.3°	55.3°
C127	C128	N38	H213	180.0°	5.1°
C127	C128	N38	H214	0.0°	175.0°
C128	C127	N37	C125	137.3°	85.0°
C129	C127	C128	O33	63.7°	122.9°
C127	C129	C130	C131	119.5°	120.0°
C127	C129	C130	H206	120.6°	120.0°
C127	C129	C131	H206	118.6°	120.0°
C127	C129	C130	H207	180.0°	65.0°
C127	C129	C130	H208	60.0°	175.0°
C127	C129	C130	H209	60.0°	55.0°
C127	C129	C131	H210	180.0°	60.0°
C127	C129	C131	H211	60.0°	60.0°
C127	C129	C131	H212	60.0°	180.0°
C129	C127	N37	C125	103.6°	155.0°
C129	C127	C128	N38	116.3°	57.1°
H205	C127	C128	O33	178.2°	117.2°
H205	C127	C129	C130	44.7°	55.3°
H205	C127	C129	C131	75.7°	175.3°
H205	C127	C129	H206	165.5°	64.7°
H205	C127	N37	C125	21.4°	35.0°
H205	C127	C128	N38	1.8°	62.8°
O33	C128	N38	H213	0.0°	174.9°
O33	C128	N38	H214	180.0°	5.0°
C130	C129	C131	H206	119.9°	120.0°
C129	C130	H207	H208	120.0°	120.0°
C129	C130	H207	H209	120.0°	119.9°
C129	C130	H208	H209	120.0°	120.0°
C130	C129	C131	H210	58.5°	60.0°
C130	C129	C131	H211	61.5°	180.0°
C130	C129	C131	H212	178.5°	60.0°
C131	C129	C130	H207	60.5°	55.0°
C131	C129	C130	H208	179.5°	65.0°
C131	C129	C130	H209	59.5°	174.9°
C129	C131	H210	H211	120.0°	120.0°
C129	C131	H210	H212	120.0°	120.0°
C129	C131	H211	H212	120.0°	120.0°
H206	C129	C130	H207	59.4°	175.0°
H206	C129	C130	H208	60.6°	55.0°
H206	C129	C130	H209	179.4°	65.0°
H206	C129	C131	H210	61.4°	180.0°
H206	C129	C131	H211	178.6°	60.0°
H206	C129	C131	H212	58.6°	60.0°
H207	C130	H208	H209	120.0°	120.0°
H210	C131	H211	H212	120.0°	120.0°
H213	N38	H214	C128	180.0°	179.9°

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