PRD_000198

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.29Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C2	C3	sing	1.51Å	1.27Å
C2	H4	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C3	O1	doub	1.21Å	1.23Å
C3	C4	sing	1.49Å	1.34Å
C4	O2	doub	1.21Å	32.56Å
N1	C5	sing	1.40Å	1.36Å
N1	H6	sing	0.97Å	1.00Å
C5	C6	doub	1.34Å	1.34Å
C5	C8	sing	1.48Å	1.52Å
C6	C7	sing	1.51Å	1.50Å
C6	H7	sing	1.08Å	1.08Å
C7	H8	sing	1.09Å	1.10Å
C7	H9	sing	1.09Å	1.10Å
C7	H10	sing	1.09Å	1.10Å
C8	O3	doub	1.22Å	1.23Å
N2	C9	sing	1.47Å	1.47Å
N2	C13	sing	1.47Å	1.47Å
C9	C10	sing	1.51Å	1.52Å
C9	C11	sing	1.54Å	1.53Å
C9	H11	sing	1.09Å	1.10Å
C10	O4	doub	1.21Å	1.23Å
C11	C12	sing	1.55Å	1.49Å
C11	H12	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
C12	C13	sing	1.55Å	1.50Å
C12	H14	sing	1.09Å	1.10Å
C12	H15	sing	1.09Å	1.10Å
C13	H16	sing	1.09Å	1.10Å
C13	H17	sing	1.09Å	1.10Å
N3	C14	sing	1.47Å	1.46Å
N3	H18	sing	0.97Å	1.00Å
C14	C15	sing	1.51Å	1.53Å
C14	C16	sing	1.53Å	1.52Å
C14	H19	sing	1.09Å	1.10Å
C15	O5	doub	1.21Å	1.24Å
C16	H20	sing	1.09Å	1.10Å
C16	H21	sing	1.09Å	1.10Å
C16	H22	sing	1.09Å	1.10Å
N4	C17	sing	1.40Å	1.36Å
N4	H23	sing	0.97Å	1.00Å
C17	C18	doub	1.34Å	1.34Å
C17	C20	sing	1.48Å	1.52Å
C18	C19	sing	1.51Å	1.50Å
C18	H24	sing	1.08Å	1.08Å
C19	H25	sing	1.09Å	1.10Å
C19	H26	sing	1.09Å	1.10Å
C19	H27	sing	1.09Å	1.10Å
C20	O6	doub	1.22Å	1.24Å
N5	C21	sing	1.40Å	1.36Å
N5	H28	sing	0.97Å	1.00Å
C21	C22	doub	1.34Å	1.34Å
C21	C24	sing	1.47Å	1.52Å
C22	C23	sing	1.51Å	1.50Å
C22	H29	sing	1.08Å	1.08Å
C23	H30	sing	1.09Å	1.10Å
C23	H31	sing	1.09Å	1.10Å
C23	H32	sing	1.09Å	1.10Å
C24	O7	doub	1.22Å	1.23Å
N6	C25	sing	1.46Å	1.45Å
N6	H33	sing	0.97Å	1.00Å
C25	C26	sing	1.53Å	1.53Å
C25	C27	sing	1.51Å	1.53Å
C25	H34	sing	1.09Å	1.10Å
C26	H35	sing	1.09Å	1.10Å
C26	H36	sing	1.09Å	1.10Å
C27	O8	doub	1.21Å	1.24Å
N7	C28	sing	1.42Å	1.37Å
N7	H37	sing	0.97Å	1.00Å
C28	C29	doub	1.34Å	1.34Å
C28	C30	sing	1.47Å	1.41Å
C29	H38	sing	1.08Å	1.08Å
C29	H39	sing	1.08Å	1.08Å
C30	O9	doub	1.22Å	1.23Å
N8	C31	sing	1.48Å	1.46Å
N8	H40	sing	0.97Å	1.00Å
C31	C32	sing	1.51Å	1.53Å
C31	C33	sing	1.53Å	1.53Å
C31	H41	sing	1.09Å	1.10Å
C32	O10	doub	1.21Å	1.23Å
C33	C34	sing	1.51Å	1.50Å
C33	H42	sing	1.09Å	1.10Å
C33	H43	sing	1.09Å	1.10Å
C34	C35	doub	1.34Å	1.37Å	Aromatic
C34	C36	sing	1.46Å	1.43Å	Aromatic
C35	N9	sing	1.37Å	1.37Å	Aromatic
C35	H44	sing	1.08Å	1.08Å
C36	C37	doub	1.41Å	1.41Å	Aromatic
C36	C38	sing	1.40Å	1.40Å	Aromatic
N9	C37	sing	1.38Å	1.37Å	Aromatic
N9	H45	sing	0.97Å	1.00Å
C37	C39	sing	1.39Å	1.39Å	Aromatic
C38	C40	doub	1.37Å	1.38Å	Aromatic
C38	H46	sing	1.08Å	1.08Å
C39	C41	doub	1.38Å	1.37Å	Aromatic
C39	H47	sing	1.08Å	1.08Å
C40	C41	sing	1.39Å	1.40Å	Aromatic
C40	H48	sing	1.08Å	1.08Å
C41	H49	sing	1.08Å	1.08Å
N10	C42	sing	1.48Å	1.46Å
N10	H50	sing	0.97Å	1.00Å
C42	C43	sing	1.51Å	1.52Å
C42	C44	sing	1.53Å	1.54Å
C42	H51	sing	1.09Å	1.10Å
C43	O11	doub	1.21Å	1.23Å
C44	O12	sing	1.43Å	1.43Å
C44	C45	sing	1.53Å	1.52Å
C44	H52	sing	1.09Å	1.10Å
O12	H53	sing	0.97Å	0.95Å
C45	H54	sing	1.09Å	1.10Å
C45	H55	sing	1.09Å	1.10Å
C45	H56	sing	1.09Å	1.10Å
N11	C46	sing	1.48Å	1.46Å
N11	H57	sing	0.97Å	1.00Å
C46	C47	sing	1.51Å	1.53Å
C46	C48	sing	1.53Å	1.53Å
C46	H58	sing	1.09Å	1.10Å
C47	O13	doub	1.21Å	1.23Å
C48	S1	sing	1.81Å	1.82Å
C48	H59	sing	1.09Å	1.10Å
C48	H60	sing	1.09Å	1.10Å
N12	C49	sing	1.47Å	1.46Å
N12	H61	sing	0.97Å	1.00Å
C49	C50	sing	1.51Å	1.52Å
C49	C51	sing	1.53Å	1.54Å
C49	H62	sing	1.09Å	1.10Å
C50	O14	doub	1.21Å	1.24Å
C51	C52	sing	1.53Å	1.53Å
C51	C53	sing	1.53Å	1.52Å
C51	H63	sing	1.09Å	1.10Å
C52	C54	sing	1.53Å	1.51Å
C52	H64	sing	1.09Å	1.10Å
C52	H65	sing	1.09Å	1.10Å
C53	H66	sing	1.09Å	1.10Å
C53	H67	sing	1.09Å	1.10Å
C53	H68	sing	1.09Å	1.10Å
C54	H69	sing	1.09Å	1.10Å
C54	H70	sing	1.09Å	1.10Å
C54	H71	sing	1.09Å	1.10Å
N13	C55	sing	1.40Å	1.36Å
N13	H72	sing	0.97Å	1.00Å
C55	C56	doub	1.34Å	1.34Å
C55	C58	sing	1.48Å	1.52Å
C56	C57	sing	1.51Å	1.50Å
C56	H73	sing	1.08Å	1.08Å
C57	H74	sing	1.09Å	1.10Å
C57	H75	sing	1.09Å	1.10Å
C57	H76	sing	1.09Å	1.10Å
C58	O15	doub	1.22Å	1.23Å
N14	C59	sing	1.46Å	1.46Å
N14	H77	sing	0.97Å	1.00Å
C59	C60	sing	1.51Å	1.52Å
C59	C61	sing	1.53Å	1.52Å
C59	H78	sing	1.09Å	1.10Å
C60	O16	doub	1.21Å	1.23Å
C61	H79	sing	1.09Å	1.10Å
C61	H80	sing	1.09Å	1.10Å
C61	H81	sing	1.09Å	1.10Å
N15	C62	sing	1.47Å	1.45Å
N15	H82	sing	0.97Å	1.00Å
C62	C63	sing	1.51Å	1.52Å
C62	H83	sing	1.09Å	1.10Å
C62	H84	sing	1.09Å	1.10Å
C63	O17	doub	1.21Å	1.23Å
N16	C64	sing	1.46Å	1.46Å
N16	H85	sing	0.97Å	1.00Å
C64	C65	sing	1.51Å	1.52Å
C64	C66	sing	1.53Å	1.54Å
C64	H86	sing	1.09Å	1.10Å
C65	O18	doub	1.21Å	1.24Å
C66	C67	sing	1.53Å	1.52Å
C66	C68	sing	1.53Å	1.52Å
C66	H87	sing	1.09Å	1.10Å
C67	H88	sing	1.09Å	1.10Å
C67	H89	sing	1.09Å	1.10Å
C67	H90	sing	1.09Å	1.10Å
C68	H91	sing	1.09Å	1.10Å
C68	H92	sing	1.09Å	1.10Å
C68	H93	sing	1.09Å	1.10Å
N17	C69	sing	1.40Å	1.36Å
N17	H94	sing	0.97Å	1.00Å
C69	C70	doub	1.34Å	1.34Å
C69	C72	sing	1.47Å	1.52Å
C70	C71	sing	1.51Å	1.50Å
C70	H95	sing	1.08Å	1.08Å
C71	H96	sing	1.09Å	1.10Å
C71	H97	sing	1.09Å	1.10Å
C71	H98	sing	1.09Å	1.10Å
C72	O19	doub	1.22Å	1.23Å
N18	C73	sing	1.47Å	1.46Å
N18	H99	sing	0.97Å	1.00Å
C73	C74	sing	1.51Å	1.52Å
C73	C75	sing	1.53Å	1.54Å
C73	H100	sing	1.09Å	1.10Å
C74	O20	doub	1.21Å	1.23Å
C75	C76	sing	1.53Å	1.52Å
C75	C77	sing	1.53Å	1.52Å
C75	H101	sing	1.09Å	1.10Å
C76	H102	sing	1.09Å	1.10Å
C76	H103	sing	1.09Å	1.10Å
C76	H104	sing	1.09Å	1.10Å
C77	H105	sing	1.09Å	1.10Å
C77	H106	sing	1.09Å	1.10Å
C77	H107	sing	1.09Å	1.10Å
N19	C78	sing	1.47Å	1.45Å
N19	H108	sing	0.97Å	1.00Å
C78	C79	sing	1.53Å	1.53Å
C78	C80	sing	1.51Å	1.53Å
C78	H109	sing	1.09Å	1.10Å
C79	H110	sing	1.09Å	1.10Å
C79	H111	sing	1.09Å	1.10Å
C80	O21	doub	1.21Å	1.23Å
N20	C81	sing	1.48Å	1.46Å
N20	H112	sing	0.97Å	1.00Å
C81	C82	sing	1.51Å	1.52Å
C81	C83	sing	1.53Å	1.52Å
C81	H113	sing	1.09Å	1.10Å
C82	O22	doub	1.21Å	1.23Å
C83	H114	sing	1.09Å	1.10Å
C83	H115	sing	1.09Å	1.10Å
C83	H116	sing	1.09Å	1.10Å
N21	C84	sing	1.48Å	1.46Å
N21	H117	sing	0.97Å	1.00Å
C84	C85	sing	1.51Å	1.53Å
C84	C86	sing	1.53Å	1.53Å
C84	H118	sing	1.09Å	1.10Å
C85	O23	doub	1.21Å	1.23Å
C86	O24	sing	1.43Å	1.42Å
C86	H119	sing	1.09Å	1.10Å
C86	H120	sing	1.09Å	1.10Å
O24	H121	sing	0.97Å	0.95Å
N22	C87	sing	1.48Å	1.46Å
N22	H122	sing	0.97Å	1.00Å
C87	C88	sing	1.51Å	1.53Å
C87	C89	sing	1.53Å	1.53Å
C87	H123	sing	1.09Å	1.10Å
C88	O25	doub	1.21Å	1.23Å
C89	C90	sing	1.53Å	1.53Å
C89	H124	sing	1.09Å	1.10Å
C89	H125	sing	1.09Å	1.10Å
C90	C91	sing	1.53Å	1.52Å
C90	C92	sing	1.53Å	1.52Å
C90	H126	sing	1.09Å	1.10Å
C91	H127	sing	1.09Å	1.10Å
C91	H128	sing	1.09Å	1.10Å
C91	H129	sing	1.09Å	1.10Å
C92	H130	sing	1.09Å	1.10Å
C92	H131	sing	1.09Å	1.10Å
C92	H132	sing	1.09Å	1.10Å
N23	C93	sing	1.48Å	1.46Å
N23	H133	sing	0.97Å	1.00Å
C93	C94	sing	1.51Å	1.53Å
C93	C95	sing	1.53Å	1.53Å
C93	H134	sing	1.09Å	1.10Å
C94	O26	doub	1.21Å	1.23Å
C95	S2	sing	1.81Å	1.82Å
C95	H135	sing	1.09Å	1.10Å
C95	H136	sing	1.09Å	1.10Å
N24	C96	sing	1.47Å	1.47Å
N24	C100	sing	1.47Å	1.47Å
C96	C97	sing	1.51Å	1.52Å
C96	C98	sing	1.54Å	1.53Å
C96	H137	sing	1.09Å	1.10Å
C97	O27	doub	1.21Å	1.23Å
C98	C99	sing	1.55Å	1.49Å
C98	H138	sing	1.09Å	1.10Å
C98	H139	sing	1.09Å	1.10Å
C99	C100	sing	1.55Å	1.50Å
C99	H140	sing	1.09Å	1.10Å
C99	H141	sing	1.09Å	1.10Å
C100	H142	sing	1.09Å	1.10Å
C100	H143	sing	1.09Å	1.10Å
N25	C101	sing	1.47Å	1.45Å
C101	C102	sing	1.50Å	1.52Å
C101	C103	sing	1.53Å	1.54Å
C102	O28	doub	1.22Å	1.24Å
C103	C104	sing	1.53Å	1.53Å
N25	H144	sing	0.97Å	1.00Å
C101	H145	sing	1.09Å	1.10Å
C103	H146	sing	1.10Å	1.10Å
C104	H147	sing	1.09Å	1.10Å
C104	H148	sing	1.09Å	1.10Å
C104	H149	sing	1.09Å	1.10Å
N26	C105	sing	1.42Å	1.36Å
N26	H150	sing	0.98Å	1.00Å
C105	C106	doub	1.34Å	1.34Å
C105	C108	sing	1.48Å	1.52Å
C106	C107	sing	1.51Å	1.50Å
C106	H151	sing	1.08Å	1.08Å
C107	H152	sing	1.09Å	1.10Å
C107	H153	sing	1.09Å	1.10Å
C107	H154	sing	1.09Å	1.10Å
C108	O29	doub	1.21Å	1.23Å
N27	C109	sing	1.48Å	1.46Å
N27	H155	sing	0.98Å	1.00Å
C109	C110	sing	1.51Å	1.53Å
C109	C111	sing	1.53Å	1.53Å
C109	H156	sing	1.10Å	1.10Å
C110	O30	doub	1.21Å	1.23Å
C111	C112	sing	1.53Å	1.52Å
C111	H157	sing	1.09Å	1.10Å
C111	H158	sing	1.09Å	1.10Å
C112	C113	sing	1.53Å	1.52Å
C112	H159	sing	1.09Å	1.10Å
C112	H160	sing	1.09Å	1.10Å
C113	C114	sing	1.53Å	1.52Å
C113	H161	sing	1.09Å	1.10Å
C113	H162	sing	1.09Å	1.10Å
C114	N28	sing	1.47Å	1.49Å
C114	H163	sing	1.09Å	1.10Å
C114	H164	sing	1.09Å	1.10Å
N28	H165	sing	1.01Å	1.00Å
N28	H166	sing	1.01Å	1.00Å
N28	H167	sing	1.01Å	1.00Å
N29	C115	sing	1.49Å	1.46Å
N29	H168	sing	0.97Å	1.00Å
C115	C116	sing	1.51Å	1.53Å
C115	C117	sing	1.53Å	1.53Å
C115	H169	sing	1.09Å	1.10Å
C116	O31	doub	1.21Å	1.23Å
C117	S3	sing	1.81Å	1.82Å
C117	H170	sing	1.09Å	1.10Å
C117	H171	sing	1.09Å	1.10Å
N30	C118	sing	1.46Å	1.45Å
C118	C119	sing	1.51Å	1.52Å
C118	C120	sing	1.53Å	1.54Å
C119	O32	doub	1.21Å	1.23Å
C120	C121	sing	1.53Å	1.53Å
N30	H172	sing	0.97Å	1.00Å
C118	H173	sing	1.09Å	1.10Å
C120	H174	sing	1.09Å	1.10Å
C121	H175	sing	1.09Å	1.10Å
C121	H176	sing	1.09Å	1.10Å
C121	H177	sing	1.09Å	1.10Å
N31	C122	sing	1.49Å	1.46Å
N31	H178	sing	0.97Å	1.00Å
C122	C123	sing	1.51Å	1.53Å
C122	C124	sing	1.53Å	1.53Å
C122	H179	sing	1.09Å	1.10Å
C123	O33	doub	1.21Å	1.23Å
C124	O34	sing	1.43Å	1.42Å
C124	H180	sing	1.09Å	1.10Å
C124	H181	sing	1.09Å	1.10Å
O34	H182	sing	0.97Å	0.95Å
N32	C125	sing	1.48Å	1.46Å
N32	H183	sing	0.97Å	1.00Å
C125	C126	sing	1.51Å	1.53Å
C125	C127	sing	1.53Å	1.53Å
C125	H184	sing	1.09Å	1.10Å
C126	O35	doub	1.21Å	1.23Å
C127	C128	sing	1.53Å	1.52Å
C127	H185	sing	1.09Å	1.10Å
C127	H186	sing	1.09Å	1.10Å
C128	C129	sing	1.53Å	1.52Å
C128	H187	sing	1.09Å	1.10Å
C128	H188	sing	1.09Å	1.10Å
C129	N33	sing	1.47Å	1.46Å
C129	H189	sing	1.09Å	1.10Å
C129	H190	sing	1.09Å	1.10Å
N33	C130	sing	1.37Å	1.33Å
N33	H191	sing	0.97Å	1.00Å
C130	N34	sing	1.33Å	1.33Å
C130	N35	doub	1.33Å	1.33Å
N34	H192	sing	0.97Å	1.00Å
N34	H193	sing	0.97Å	1.00Å
N35	H194	sing	0.97Å	1.00Å
N35	H195	sing	0.97Å	1.00Å
N36	C131	sing	1.49Å	1.46Å
N36	H196	sing	0.97Å	1.00Å
C131	C132	sing	1.51Å	1.53Å
C131	C133	sing	1.53Å	1.53Å
C131	H197	sing	1.09Å	1.10Å
C132	O36	doub	1.21Å	1.23Å
C132	O37	sing	1.34Å	22.81Å
C133	S4	sing	1.81Å	1.82Å
C133	H198	sing	1.09Å	1.10Å
C133	H199	sing	1.09Å	1.10Å
O37	H200	sing	0.97Å	0.00Å
C4	N1	sing	1.35Å	1.33Å
C8	N2	sing	1.35Å	1.34Å
C15	N4	sing	1.35Å	1.33Å
C20	N5	sing	1.35Å	1.33Å
C24	N6	sing	1.35Å	1.32Å
C27	N7	sing	1.37Å	1.33Å
C26	S1	sing	1.82Å	1.81Å
C30	N8	sing	1.36Å	1.33Å
C50	N13	sing	1.35Å	1.33Å
C58	N14	sing	1.35Å	1.33Å
C65	N17	sing	1.35Å	1.33Å
C72	N18	sing	1.35Å	1.33Å
C74	N19	sing	1.35Å	1.32Å
C80	N20	sing	1.37Å	1.33Å
C79	S2	sing	1.81Å	1.75Å
C97	N25	sing	1.35Å	1.32Å
C103	S3	sing	1.81Å	1.84Å
C102	N26	sing	1.37Å	1.33Å
C108	N27	sing	1.36Å	1.33Å
C116	N30	sing	1.35Å	1.32Å
C120	S4	sing	1.81Å	1.82Å
C119	N31	sing	1.37Å	1.33Å
C10	N3	sing	1.35Å	1.33Å
C32	N10	sing	1.37Å	1.33Å
C43	N11	sing	1.36Å	1.33Å
C47	N12	sing	1.35Å	1.33Å
C60	N15	sing	1.35Å	1.33Å
C63	N16	sing	1.35Å	1.33Å
C82	N21	sing	1.36Å	1.33Å
C85	N22	sing	1.37Å	1.33Å
C88	N23	sing	1.36Å	1.33Å
C94	N24	sing	1.35Å	1.34Å
C110	N29	sing	1.37Å	1.33Å
C123	N32	sing	1.37Å	1.33Å
C126	N36	sing	1.37Å	1.33Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	H1	109.5°	109.5°
C2	C1	H2	109.4°	109.5°
C2	C1	H3	109.5°	109.5°
C1	C2	C3	114.1°	109.4°
C1	C2	H4	108.3°	109.5°
C1	C2	H5	108.3°	109.4°
H1	C1	H2	109.5°	109.4°
H1	C1	H3	109.5°	109.4°
H2	C1	H3	109.4°	109.5°
C3	C2	H4	108.3°	109.5°
C3	C2	H5	108.3°	109.5°
C2	C3	O1	121.4°	120.0°
C2	C3	C4	120.0°	120.0°
H4	C2	H5	109.4°	109.5°
O1	C3	C4	118.6°	120.0°
C3	C4	O2	150.8°	120.0°
C3	C4	N1	119.0°	120.0°
O2	C4	N1	50.2°	120.0°
C5	N1	H6	120.2°	120.0°
N1	C5	C6	120.5°	120.0°
N1	C5	C8	119.4°	120.0°
C5	N1	C4	119.6°	120.0°
H6	N1	C4	120.2°	120.0°
C6	C5	C8	120.1°	120.0°
C5	C6	C7	119.0°	120.0°
C5	C6	H7	120.5°	120.0°
C5	C8	O3	122.0°	120.0°
C5	C8	N2	115.7°	120.0°
C7	C6	H7	120.5°	120.0°
C6	C7	H8	109.5°	109.5°
C6	C7	H9	109.5°	109.5°
C6	C7	H10	109.5°	109.4°
H8	C7	H9	109.4°	109.4°
H8	C7	H10	109.5°	109.5°
H9	C7	H10	109.5°	109.5°
O3	C8	N2	122.2°	120.0°
C9	N2	C13	112.2°	108.7°
N2	C9	C10	112.4°	109.9°
N2	C9	C11	103.4°	107.2°
N2	C9	H11	110.8°	109.9°
C9	N2	C8	122.7°	125.6°
N2	C13	C12	103.4°	104.7°
N2	C13	H16	111.0°	110.3°
N2	C13	H17	111.0°	110.3°
C13	N2	C8	125.1°	125.7°
C10	C9	C11	110.4°	109.9°
C10	C9	H11	109.9°	109.9°
C9	C10	O4	120.8°	120.0°
C9	C10	N3	116.2°	120.0°
C11	C9	H11	109.8°	110.0°
C9	C11	C12	104.7°	103.0°
C9	C11	H12	110.6°	110.7°
C9	C11	H13	110.6°	110.7°
O4	C10	N3	123.0°	120.0°
C12	C11	H12	110.6°	110.7°
C12	C11	H13	110.7°	110.7°
C11	C12	C13	106.0°	101.5°
C11	C12	H14	110.3°	111.1°
C11	C12	H15	110.3°	111.0°
H12	C11	H13	109.5°	110.8°
C13	C12	H14	110.3°	111.2°
C13	C12	H15	110.3°	110.9°
C12	C13	H16	110.9°	110.6°
C12	C13	H17	111.0°	110.3°
H14	C12	H15	109.5°	110.9°
H16	C13	H17	109.4°	110.4°
C14	N3	H18	119.2°	120.0°
N3	C14	C15	111.1°	109.4°
N3	C14	C16	110.3°	109.5°
N3	C14	H19	108.9°	109.5°
C14	N3	C10	121.6°	120.0°
H18	N3	C10	119.2°	120.0°
C15	C14	C16	110.4°	109.5°
C15	C14	H19	108.0°	109.5°
C14	C15	O5	120.5°	120.0°
C14	C15	N4	116.2°	120.0°
C16	C14	H19	108.1°	109.5°
C14	C16	H20	109.5°	109.4°
C14	C16	H21	109.5°	109.4°
C14	C16	H22	109.5°	109.4°
O5	C15	N4	123.2°	120.0°
H20	C16	H21	109.5°	109.5°
H20	C16	H22	109.5°	109.5°
H21	C16	H22	109.4°	109.5°
C17	N4	H23	120.2°	120.0°
N4	C17	C18	120.5°	120.0°
N4	C17	C20	119.4°	120.0°
C17	N4	C15	119.6°	120.0°
H23	N4	C15	120.2°	120.0°
C18	C17	C20	120.2°	120.0°
C17	C18	C19	119.1°	120.0°
C17	C18	H24	120.5°	120.0°
C17	C20	O6	121.0°	120.0°
C17	C20	N5	115.7°	120.0°
C19	C18	H24	120.5°	120.0°
C18	C19	H25	109.5°	109.5°
C18	C19	H26	109.5°	109.4°
C18	C19	H27	109.5°	109.5°
H25	C19	H26	109.5°	109.5°
H25	C19	H27	109.5°	109.5°
H26	C19	H27	109.4°	109.4°
O6	C20	N5	123.3°	120.0°
C21	N5	H28	120.2°	120.0°
N5	C21	C22	120.5°	120.0°
N5	C21	C24	119.4°	120.0°
C21	N5	C20	119.5°	120.0°
H28	N5	C20	120.2°	120.0°
C22	C21	C24	120.1°	120.0°
C21	C22	C23	119.0°	120.0°
C21	C22	H29	120.5°	120.0°
C21	C24	O7	121.5°	120.0°
C21	C24	N6	115.7°	120.0°
C23	C22	H29	120.5°	120.0°
C22	C23	H30	109.5°	109.5°
C22	C23	H31	109.5°	109.5°
C22	C23	H32	109.5°	109.5°
H30	C23	H31	109.5°	109.4°
H30	C23	H32	109.5°	109.5°
H31	C23	H32	109.5°	109.5°
O7	C24	N6	122.8°	120.0°
C25	N6	H33	119.2°	119.9°
N6	C25	C26	110.0°	109.5°
N6	C25	C27	111.3°	109.6°
N6	C25	H34	109.2°	109.5°
C25	N6	C24	121.5°	120.0°
H33	N6	C24	119.2°	120.1°
C26	C25	C27	109.7°	109.3°
C26	C25	H34	108.3°	109.5°
C25	C26	H35	108.5°	109.5°
C25	C26	H36	108.5°	109.5°
C25	C26	S1	113.4°	109.5°
C27	C25	H34	108.3°	109.5°
C25	C27	O8	120.3°	121.0°
C25	C27	N7	115.9°	118.1°
H35	C26	H36	109.4°	109.5°
H35	C26	S1	108.5°	109.4°
H36	C26	S1	108.5°	109.5°
O8	C27	N7	123.8°	121.0°
C28	N7	H37	119.4°	122.8°
N7	C28	C29	120.0°	121.0°
N7	C28	C30	120.0°	118.1°
C28	N7	C27	121.2°	114.3°
H37	N7	C27	119.4°	122.8°
C29	C28	C30	119.9°	120.9°
C28	C29	H38	120.0°	119.9°
C28	C29	H39	120.0°	120.0°
C28	C30	O9	121.4°	120.3°
C28	C30	N8	115.5°	119.4°
H38	C29	H39	120.0°	120.0°
O9	C30	N8	123.0°	120.3°
C31	N8	H40	119.2°	122.0°
N8	C31	C32	110.9°	107.9°
N8	C31	C33	110.3°	109.8°
N8	C31	H41	109.1°	109.7°
C31	N8	C30	121.6°	115.9°
H40	N8	C30	119.2°	122.1°
C32	C31	C33	110.0°	109.8°
C32	C31	H41	108.3°	109.8°
C31	C32	O10	120.8°	120.9°
C31	C32	N10	116.3°	118.2°
C33	C31	H41	108.2°	109.8°
C31	C33	C34	113.3°	109.5°
C31	C33	H42	108.5°	109.4°
C31	C33	H43	108.5°	109.4°
O10	C32	N10	122.9°	120.9°
C34	C33	H42	108.5°	109.5°
C34	C33	H43	108.5°	109.5°
C33	C34	C35	126.9°	126.5°
C33	C34	C36	126.7°	126.5°
H42	C33	H43	109.5°	109.4°
C35	C34	C36	106.4°	107.0°
C34	C35	N9	110.0°	109.9°
C34	C35	H44	125.0°	125.1°
C34	C36	C37	107.2°	106.1°
C34	C36	C38	134.0°	134.0°
N9	C35	H44	125.0°	125.0°
C35	N9	C37	109.0°	109.9°
C35	N9	H45	125.5°	125.0°
C37	C36	C38	118.8°	119.9°
C36	C37	N9	107.5°	107.1°
C36	C37	C39	122.3°	119.3°
C36	C38	C40	118.9°	119.8°
C36	C38	H46	120.6°	120.1°
C37	N9	H45	125.5°	125.1°
N9	C37	C39	130.2°	133.5°
C37	C39	C41	117.6°	119.8°
C37	C39	H47	121.2°	120.1°
C40	C38	H46	120.6°	120.1°
C38	C40	C41	121.2°	120.5°
C38	C40	H48	119.4°	119.7°
C41	C39	H47	121.2°	120.2°
C39	C41	C40	121.3°	120.7°
C39	C41	H49	119.3°	119.7°
C41	C40	H48	119.4°	119.8°
C40	C41	H49	119.4°	119.6°
C42	N10	H50	119.2°	122.7°
N10	C42	C43	111.1°	108.6°
N10	C42	C44	111.4°	109.6°
N10	C42	H51	109.0°	109.7°
C42	N10	C32	121.6°	114.6°
H50	N10	C32	119.2°	122.7°
C43	C42	C44	109.0°	109.6°
C43	C42	H51	108.2°	109.6°
C42	C43	O11	120.8°	120.3°
C42	C43	N11	116.2°	119.4°
C44	C42	H51	108.0°	109.8°
C42	C44	O12	110.0°	109.5°
C42	C44	C45	110.9°	109.5°
C42	C44	H52	108.2°	109.4°
O11	C43	N11	123.0°	120.3°
O12	C44	C45	109.7°	109.5°
O12	C44	H52	109.6°	109.5°
C44	O12	H53	109.5°	114.0°
C45	C44	H52	108.4°	109.5°
C44	C45	H54	109.5°	109.4°
C44	C45	H55	109.5°	109.5°
C44	C45	H56	109.5°	109.5°
H54	C45	H55	109.5°	109.5°
H54	C45	H56	109.5°	109.5°
H55	C45	H56	109.5°	109.5°
C46	N11	H57	119.2°	121.8°
N11	C46	C47	110.9°	109.6°
N11	C46	C48	110.3°	108.8°
N11	C46	H58	109.2°	109.6°
C46	N11	C43	121.6°	116.3°
H57	N11	C43	119.2°	121.8°
C47	C46	C48	109.9°	109.6°
C47	C46	H58	108.3°	109.6°
C46	C47	O13	120.8°	120.0°
C46	C47	N12	116.1°	120.0°
C48	C46	H58	108.3°	109.7°
C46	C48	S1	114.0°	109.3°
C46	C48	H59	108.3°	109.5°
C46	C48	H60	108.3°	109.5°
O13	C47	N12	123.0°	120.0°
S1	C48	H59	108.3°	109.5°
S1	C48	H60	108.3°	109.5°
C48	S1	C26	122.5°	103.1°
H59	C48	H60	109.5°	109.6°
C49	N12	H61	119.2°	120.0°
N12	C49	C50	111.1°	109.5°
N12	C49	C51	111.4°	109.5°
N12	C49	H62	109.0°	109.4°
C49	N12	C47	121.5°	120.0°
H61	N12	C47	119.3°	120.0°
C50	C49	C51	109.1°	109.5°
C50	C49	H62	108.2°	109.5°
C49	C50	O14	120.6°	120.0°
C49	C50	N13	116.2°	120.0°
C51	C49	H62	108.0°	109.5°
C49	C51	C52	110.4°	109.5°
C49	C51	C53	110.4°	109.5°
C49	C51	H63	108.3°	109.5°
O14	C50	N13	123.2°	120.0°
C52	C51	C53	110.6°	109.5°
C52	C51	H63	108.5°	109.5°
C51	C52	C54	113.6°	109.5°
C51	C52	H64	108.4°	109.5°
C51	C52	H65	108.5°	109.5°
C53	C51	H63	108.6°	109.5°
C51	C53	H66	109.5°	109.5°
C51	C53	H67	109.5°	109.5°
C51	C53	H68	109.4°	109.4°
C54	C52	H64	108.4°	109.5°
C54	C52	H65	108.4°	109.5°
C52	C54	H69	109.5°	109.5°
C52	C54	H70	109.5°	109.4°
C52	C54	H71	109.4°	109.5°
H64	C52	H65	109.5°	109.5°
H66	C53	H67	109.4°	109.5°
H66	C53	H68	109.5°	109.5°
H67	C53	H68	109.5°	109.5°
H69	C54	H70	109.5°	109.5°
H69	C54	H71	109.5°	109.5°
H70	C54	H71	109.4°	109.5°
C55	N13	H72	120.2°	120.0°
N13	C55	C56	120.5°	120.0°
N13	C55	C58	119.4°	120.0°
C55	N13	C50	119.6°	120.0°
H72	N13	C50	120.2°	120.0°
C56	C55	C58	120.1°	120.0°
C55	C56	C57	119.0°	120.0°
C55	C56	H73	120.5°	120.0°
C55	C58	O15	121.3°	120.0°
C55	C58	N14	115.7°	120.0°
C57	C56	H73	120.5°	120.0°
C56	C57	H74	109.5°	109.5°
C56	C57	H75	109.5°	109.6°
C56	C57	H76	109.4°	109.4°
H74	C57	H75	109.5°	109.5°
H74	C57	H76	109.5°	109.4°
H75	C57	H76	109.4°	109.4°
O15	C58	N14	123.0°	120.0°
C59	N14	H77	119.2°	120.0°
N14	C59	C60	111.1°	109.5°
N14	C59	C61	110.3°	109.5°
N14	C59	H78	108.9°	109.5°
C59	N14	C58	121.6°	120.0°
H77	N14	C58	119.2°	120.0°
C60	C59	C61	110.4°	109.4°
C60	C59	H78	108.0°	109.4°
C59	C60	O16	120.8°	120.0°
C59	C60	N15	116.2°	120.0°
C61	C59	H78	108.0°	109.5°
C59	C61	H79	109.5°	109.5°
C59	C61	H80	109.5°	109.5°
C59	C61	H81	109.5°	109.5°
O16	C60	N15	123.0°	120.1°
H79	C61	H80	109.4°	109.5°
H79	C61	H81	109.5°	109.5°
H80	C61	H81	109.5°	109.4°
C62	N15	H82	119.6°	120.0°
N15	C62	C63	112.5°	109.4°
N15	C62	H83	108.7°	109.5°
N15	C62	H84	108.7°	109.4°
C62	N15	C60	120.7°	120.0°
H82	N15	C60	119.7°	120.1°
C63	C62	H83	108.7°	109.5°
C63	C62	H84	108.7°	109.5°
C62	C63	O17	120.6°	120.0°
C62	C63	N16	116.4°	120.0°
H83	C62	H84	109.5°	109.5°
O17	C63	N16	123.0°	120.0°
C64	N16	H85	119.1°	120.0°
N16	C64	C65	111.1°	109.5°
N16	C64	C66	111.4°	109.5°
N16	C64	H86	109.0°	109.5°
C64	N16	C63	121.6°	120.0°
H85	N16	C63	119.2°	120.0°
C65	C64	C66	109.1°	109.5°
C65	C64	H86	108.2°	109.5°
C64	C65	O18	120.5°	120.0°
C64	C65	N17	116.2°	120.0°
C66	C64	H86	108.0°	109.5°
C64	C66	C67	110.5°	109.5°
C64	C66	C68	110.5°	109.5°
C64	C66	H87	108.1°	109.5°
O18	C65	N17	123.3°	120.0°
C67	C66	C68	110.9°	109.4°
C67	C66	H87	108.4°	109.5°
C66	C67	H88	109.5°	109.5°
C66	C67	H89	109.4°	109.5°
C66	C67	H90	109.5°	109.5°
C68	C66	H87	108.4°	109.4°
C66	C68	H91	109.5°	109.4°
C66	C68	H92	109.5°	109.5°
C66	C68	H93	109.5°	109.5°
H88	C67	H89	109.5°	109.5°
H88	C67	H90	109.5°	109.5°
H89	C67	H90	109.5°	109.4°
H91	C68	H92	109.5°	109.5°
H91	C68	H93	109.5°	109.4°
H92	C68	H93	109.4°	109.5°
C69	N17	H94	120.2°	120.0°
N17	C69	C70	120.5°	120.0°
N17	C69	C72	119.4°	120.0°
C69	N17	C65	119.6°	120.0°
H94	N17	C65	120.2°	120.0°
C70	C69	C72	120.1°	120.0°
C69	C70	C71	119.1°	120.0°
C69	C70	H95	120.5°	120.0°
C69	C72	O19	121.3°	120.0°
C69	C72	N18	115.7°	120.0°
C71	C70	H95	120.5°	120.0°
C70	C71	H96	109.5°	109.5°
C70	C71	H97	109.5°	109.5°
C70	C71	H98	109.4°	109.5°
H96	C71	H97	109.5°	109.4°
H96	C71	H98	109.5°	109.5°
H97	C71	H98	109.5°	109.5°
O19	C72	N18	123.0°	120.0°
C73	N18	H99	119.2°	120.0°
N18	C73	C74	111.1°	109.5°
N18	C73	C75	111.4°	109.4°
N18	C73	H100	109.0°	109.5°
C73	N18	C72	121.6°	120.0°
H99	N18	C72	119.2°	120.0°
C74	C73	C75	109.0°	109.5°
C74	C73	H100	108.2°	109.5°
C73	C74	O20	121.1°	120.0°
C73	C74	N19	116.2°	120.0°
C75	C73	H100	108.0°	109.5°
C73	C75	C76	110.5°	109.5°
C73	C75	C77	110.5°	109.5°
C73	C75	H101	108.1°	109.5°
O20	C74	N19	122.8°	120.0°
C76	C75	C77	110.9°	109.5°
C76	C75	H101	108.3°	109.5°
C75	C76	H102	109.5°	109.5°
C75	C76	H103	109.5°	109.4°
C75	C76	H104	109.5°	109.5°
C77	C75	H101	108.4°	109.5°
C75	C77	H105	109.5°	109.5°
C75	C77	H106	109.5°	109.4°
C75	C77	H107	109.5°	109.5°
H102	C76	H103	109.5°	109.5°
H102	C76	H104	109.4°	109.5°
H103	C76	H104	109.4°	109.5°
H105	C77	H106	109.5°	109.5°
H105	C77	H107	109.4°	109.5°
H106	C77	H107	109.5°	109.4°
C78	N19	H108	119.2°	120.0°
N19	C78	C79	110.0°	109.4°
N19	C78	C80	111.2°	109.4°
N19	C78	H109	109.2°	109.5°
C78	N19	C74	121.6°	120.0°
H108	N19	C74	119.2°	120.0°
C79	C78	C80	109.8°	109.5°
C79	C78	H109	108.3°	109.5°
C78	C79	H110	108.5°	109.4°
C78	C79	H111	108.6°	109.4°
C78	C79	S2	113.1°	109.5°
C80	C78	H109	108.3°	109.5°
C78	C80	O21	121.0°	120.8°
C78	C80	N20	116.0°	118.5°
H110	C79	H111	109.5°	109.4°
H110	C79	S2	108.5°	109.5°
H111	C79	S2	108.5°	109.5°
O21	C80	N20	123.0°	120.7°
C81	N20	H112	119.2°	122.8°
N20	C81	C82	111.1°	108.4°
N20	C81	C83	110.3°	109.6°
N20	C81	H113	108.9°	109.7°
C81	N20	C80	121.6°	114.4°
H112	N20	C80	119.2°	122.8°
C82	C81	C83	110.4°	109.7°
C82	C81	H113	108.0°	109.7°
C81	C82	O22	120.8°	120.5°
C81	C82	N21	116.2°	119.0°
C83	C81	H113	108.1°	109.7°
C81	C83	H114	109.5°	109.5°
C81	C83	H115	109.5°	109.5°
C81	C83	H116	109.5°	109.5°
O22	C82	N21	123.0°	120.5°
H114	C83	H115	109.5°	109.5°
H114	C83	H116	109.5°	109.5°
H115	C83	H116	109.5°	109.4°
C84	N21	H117	119.2°	122.0°
N21	C84	C85	110.8°	108.7°
N21	C84	C86	110.3°	109.6°
N21	C84	H118	109.2°	109.6°
C84	N21	C82	121.6°	116.1°
H117	N21	C82	119.2°	122.0°
C85	C84	C86	109.9°	109.6°
C85	C84	H118	108.3°	109.6°
C84	C85	O23	120.9°	120.7°
C84	C85	N22	116.1°	118.6°
C86	C84	H118	108.2°	109.8°
C84	C86	O24	111.1°	109.4°
C84	C86	H119	109.1°	109.5°
C84	C86	H120	109.1°	109.5°
O23	C85	N22	123.0°	120.7°
O24	C86	H119	109.1°	109.5°
O24	C86	H120	109.1°	109.4°
C86	O24	H121	109.5°	114.0°
H119	C86	H120	109.4°	109.5°
C87	N22	H122	119.2°	122.8°
N22	C87	C88	110.9°	108.5°
N22	C87	C89	110.2°	109.7°
N22	C87	H123	109.2°	109.7°
C87	N22	C85	121.6°	114.4°
H122	N22	C85	119.2°	122.8°
C88	C87	C89	109.9°	109.7°
C88	C87	H123	108.3°	109.6°
C87	C88	O25	120.8°	120.4°
C87	C88	N23	116.2°	119.0°
C89	C87	H123	108.3°	109.7°
C87	C89	C90	116.0°	109.5°
C87	C89	H124	107.8°	109.4°
C87	C89	H125	107.8°	109.5°
O25	C88	N23	123.0°	120.6°
C90	C89	H124	107.8°	109.5°
C90	C89	H125	107.8°	109.5°
C89	C90	C91	110.5°	109.4°
C89	C90	C92	110.5°	109.5°
C89	C90	H126	108.3°	109.5°
H124	C89	H125	109.5°	109.5°
C91	C90	C92	110.6°	109.5°
C91	C90	H126	108.4°	109.5°
C90	C91	H127	109.5°	109.4°
C90	C91	H128	109.5°	109.5°
C90	C91	H129	109.5°	109.4°
C92	C90	H126	108.4°	109.5°
C90	C92	H130	109.5°	109.4°
C90	C92	H131	109.5°	109.5°
C90	C92	H132	109.5°	109.5°
H127	C91	H128	109.5°	109.5°
H127	C91	H129	109.5°	109.5°
H128	C91	H129	109.4°	109.5°
H130	C92	H131	109.4°	109.4°
H130	C92	H132	109.5°	109.5°
H131	C92	H132	109.4°	109.5°
C93	N23	H133	119.2°	122.0°
N23	C93	C94	110.9°	109.6°
N23	C93	C95	110.3°	108.7°
N23	C93	H134	109.1°	109.6°
C93	N23	C88	121.6°	116.0°
H133	N23	C88	119.2°	122.0°
C94	C93	C95	109.9°	109.6°
C94	C93	H134	108.3°	109.6°
C93	C94	O26	121.6°	120.0°
C93	C94	N24	116.2°	120.0°
C95	C93	H134	108.2°	109.7°
C93	C95	S2	114.1°	109.4°
C93	C95	H135	108.3°	109.5°
C93	C95	H136	108.3°	109.5°
O26	C94	N24	122.2°	120.0°
S2	C95	H135	108.3°	109.5°
S2	C95	H136	108.3°	109.5°
C95	S2	C79	128.6°	103.0°
H135	C95	H136	109.5°	109.5°
C96	N24	C100	112.2°	108.7°
N24	C96	C97	112.3°	109.9°
N24	C96	C98	103.4°	107.2°
N24	C96	H137	110.8°	109.9°
C96	N24	C94	122.7°	125.6°
N24	C100	C99	103.9°	104.7°
N24	C100	H142	110.8°	110.3°
N24	C100	H143	110.8°	110.4°
C100	N24	C94	125.1°	125.7°
C97	C96	C98	110.4°	109.9°
C97	C96	H137	109.9°	109.9°
C96	C97	O27	120.7°	120.0°
C96	C97	N25	116.2°	120.0°
C98	C96	H137	109.8°	110.0°
C96	C98	C99	104.7°	103.0°
C96	C98	H138	110.6°	110.7°
C96	C98	H139	110.6°	110.7°
O27	C97	N25	123.1°	120.0°
C99	C98	H138	110.6°	110.7°
C99	C98	H139	110.7°	110.7°
C98	C99	C100	107.0°	101.5°
C98	C99	H140	110.1°	111.0°
C98	C99	H141	110.1°	111.0°
H138	C98	H139	109.5°	110.7°
C100	C99	H140	110.1°	111.2°
C100	C99	H141	110.1°	111.0°
C99	C100	H142	110.8°	110.5°
C99	C100	H143	110.8°	110.4°
H140	C99	H141	109.5°	110.9°
H142	C100	H143	109.5°	110.5°
N25	C101	C102	110.8°	109.7°
N25	C101	C103	110.9°	109.0°
C101	N25	H144	119.1°	120.0°
N25	C101	H145	109.1°	109.0°
C101	N25	C97	121.9°	120.0°
C102	C101	C103	109.6°	110.5°
C101	C102	O28	120.4°	120.3°
C102	C101	H145	108.3°	109.4°
C101	C102	N26	116.4°	120.1°
C101	C103	C104	108.7°	110.0°
C103	C101	H145	108.0°	109.2°
C101	C103	H146	107.9°	108.4°
C101	C103	S3	115.8°	110.1°
O28	C102	N26	123.2°	119.5°
C104	C103	H146	108.2°	108.4°
C103	C104	H147	109.5°	109.5°
C103	C104	H148	109.5°	109.5°
C103	C104	H149	109.4°	109.4°
C104	C103	S3	110.9°	110.9°
H144	N25	C97	119.0°	120.0°
H146	C103	S3	105.0°	108.9°
H147	C104	H148	109.5°	109.5°
H147	C104	H149	109.5°	109.5°
H148	C104	H149	109.5°	109.5°
C105	N26	H150	120.2°	122.3°
N26	C105	C106	120.5°	121.5°
N26	C105	C108	119.4°	117.9°
C105	N26	C102	119.5°	114.8°
H150	N26	C102	120.2°	122.9°
C106	C105	C108	120.1°	120.5°
C105	C106	C107	119.0°	120.0°
C105	C106	H151	120.5°	120.0°
C105	C108	O29	121.3°	119.1°
C105	C108	N27	115.7°	119.8°
C107	C106	H151	120.5°	120.0°
C106	C107	H152	109.5°	109.5°
C106	C107	H153	109.5°	109.5°
C106	C107	H154	109.5°	109.5°
H152	C107	H153	109.5°	109.4°
H152	C107	H154	109.5°	109.5°
H153	C107	H154	109.5°	109.5°
O29	C108	N27	122.9°	121.1°
C109	N27	H155	119.2°	121.0°
N27	C109	C110	110.9°	109.5°
N27	C109	C111	110.3°	110.0°
N27	C109	H156	109.2°	109.2°
C109	N27	C108	121.7°	117.5°
H155	N27	C108	119.2°	121.6°
C110	C109	C111	109.9°	109.9°
C110	C109	H156	108.3°	109.2°
C109	C110	O30	120.8°	120.5°
C109	C110	N29	116.3°	118.4°
C111	C109	H156	108.3°	109.0°
C109	C111	C112	113.6°	109.5°
C109	C111	H157	108.4°	109.4°
C109	C111	H158	108.4°	109.5°
O30	C110	N29	122.9°	121.1°
C112	C111	H157	108.4°	109.5°
C112	C111	H158	108.4°	109.5°
C111	C112	C113	111.5°	109.5°
C111	C112	H159	109.0°	109.5°
C111	C112	H160	108.9°	109.5°
H157	C111	H158	109.5°	109.5°
C113	C112	H159	108.9°	109.5°
C113	C112	H160	108.9°	109.5°
C112	C113	C114	111.5°	109.5°
C112	C113	H161	109.0°	109.5°
C112	C113	H162	109.0°	109.5°
H159	C112	H160	109.5°	109.5°
C114	C113	H161	109.0°	109.5°
C114	C113	H162	109.0°	109.4°
C113	C114	N28	111.9°	109.5°
C113	C114	H163	108.9°	109.5°
C113	C114	H164	108.8°	109.4°
H161	C113	H162	109.4°	109.4°
N28	C114	H163	108.9°	109.5°
N28	C114	H164	108.9°	109.4°
C114	N28	H165	109.5°	109.5°
C114	N28	H166	109.4°	109.5°
C114	N28	H167	109.5°	109.4°
H163	C114	H164	109.4°	109.4°
H165	N28	H166	109.5°	109.5°
H165	N28	H167	109.5°	109.5°
H166	N28	H167	109.4°	109.5°
C115	N29	H168	119.2°	122.9°
N29	C115	C116	110.9°	109.8°
N29	C115	C117	110.3°	108.4°
N29	C115	H169	109.2°	110.2°
C115	N29	C110	121.7°	114.1°
H168	N29	C110	119.1°	122.9°
C116	C115	C117	109.9°	109.4°
C116	C115	H169	108.3°	109.7°
C115	C116	O31	120.7°	120.0°
C115	C116	N30	116.1°	120.0°
C117	C115	H169	108.2°	109.3°
C115	C117	S3	114.0°	109.1°
C115	C117	H170	108.3°	108.5°
C115	C117	H171	108.3°	108.8°
O31	C116	N30	123.1°	120.0°
S3	C117	H170	108.3°	110.4°
S3	C117	H171	108.3°	109.9°
C117	S3	C103	119.6°	104.5°
H170	C117	H171	109.5°	110.1°
N30	C118	C119	110.8°	109.5°
N30	C118	C120	110.9°	109.4°
C118	N30	H172	119.1°	120.0°
N30	C118	H173	109.2°	109.5°
C118	N30	C116	121.8°	120.0°
C119	C118	C120	109.6°	109.5°
C118	C119	O32	120.7°	120.9°
C119	C118	H173	108.3°	109.6°
C118	C119	N31	116.3°	118.3°
C118	C120	C121	108.7°	109.5°
C120	C118	H173	108.0°	109.5°
C118	C120	H174	108.5°	109.5°
C118	C120	S4	113.7°	109.5°
O32	C119	N31	123.0°	120.8°
C121	C120	H174	108.7°	109.5°
C120	C121	H175	109.5°	109.5°
C120	C121	H176	109.5°	109.5°
C120	C121	H177	109.5°	109.5°
C121	C120	S4	111.5°	109.4°
H172	N30	C116	119.1°	120.0°
H174	C120	S4	105.6°	109.5°
H175	C121	H176	109.5°	109.5°
H175	C121	H177	109.5°	109.5°
H176	C121	H177	109.4°	109.4°
C122	N31	H178	119.2°	123.3°
N31	C122	C123	110.8°	108.1°
N31	C122	C124	110.3°	109.7°
N31	C122	H179	109.2°	109.7°
C122	N31	C119	121.6°	113.6°
H178	N31	C119	119.2°	123.2°
C123	C122	C124	109.9°	109.7°
C123	C122	H179	108.3°	109.7°
C122	C123	O33	120.9°	120.6°
C122	C123	N32	116.1°	118.9°
C124	C122	H179	108.2°	109.8°
C122	C124	O34	111.1°	109.5°
C122	C124	H180	109.0°	109.5°
C122	C124	H181	109.0°	109.4°
O33	C123	N32	122.9°	120.5°
O34	C124	H180	109.1°	109.5°
O34	C124	H181	109.1°	109.5°
C124	O34	H182	109.5°	114.1°
H180	C124	H181	109.5°	109.4°
C125	N32	H183	119.2°	122.2°
N32	C125	C126	110.9°	108.6°
N32	C125	C127	110.3°	109.6°
N32	C125	H184	109.2°	109.6°
C125	N32	C123	121.6°	115.5°
H183	N32	C123	119.2°	122.2°
C126	C125	C127	109.9°	109.6°
C126	C125	H184	108.3°	109.6°
C125	C126	O35	120.9°	120.9°
C125	C126	N36	116.2°	118.3°
C127	C125	H184	108.2°	109.7°
C125	C127	C128	113.6°	109.5°
C125	C127	H185	108.4°	109.5°
C125	C127	H186	108.4°	109.5°
O35	C126	N36	122.9°	120.9°
C128	C127	H185	108.4°	109.5°
C128	C127	H186	108.4°	109.4°
C127	C128	C129	111.5°	109.5°
C127	C128	H187	108.9°	109.5°
C127	C128	H188	108.9°	109.4°
H185	C127	H186	109.5°	109.5°
C129	C128	H187	108.9°	109.5°
C129	C128	H188	108.9°	109.5°
C128	C129	N33	112.0°	109.5°
C128	C129	H189	108.9°	109.5°
C128	C129	H190	108.8°	109.5°
H187	C128	H188	109.5°	109.5°
N33	C129	H189	108.8°	109.5°
N33	C129	H190	108.9°	109.5°
C129	N33	C130	123.6°	120.0°
C129	N33	H191	118.2°	120.0°
H189	C129	H190	109.5°	109.4°
C130	N33	H191	118.2°	120.1°
N33	C130	N34	120.2°	120.0°
N33	C130	N35	120.0°	120.0°
N34	C130	N35	119.8°	120.0°
C130	N34	H192	120.0°	120.0°
C130	N34	H193	120.0°	120.0°
C130	N35	H194	120.0°	120.0°
C130	N35	H195	120.0°	120.0°
H192	N34	H193	120.0°	120.0°
H194	N35	H195	120.0°	120.0°
C131	N36	H196	119.2°	123.2°
N36	C131	C132	110.9°	109.7°
N36	C131	C133	110.3°	108.3°
N36	C131	H197	109.2°	109.7°
C131	N36	C126	121.7°	113.6°
H196	N36	C126	119.2°	123.2°
C132	C131	C133	109.9°	109.7°
C132	C131	H197	108.3°	109.7°
C131	C132	O36	120.8°	120.0°
C131	C132	O37	45.4°	120.0°
C133	C131	H197	108.2°	109.8°
C131	C133	S4	114.1°	109.5°
C131	C133	H198	108.3°	109.5°
C131	C133	H199	108.3°	109.5°
O36	C132	O37	166.0°	120.0°
C132	O37	H200	90.0°	117.0°
S4	C133	H198	108.3°	109.5°
S4	C133	H199	108.3°	109.5°
C133	S4	C120	122.6°	103.0°
H198	C133	H199	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	H1	H2	120.0°	120.0°
C2	C1	H1	H3	120.0°	120.0°
C2	C1	H2	H3	119.9°	120.1°
C1	C2	C3	H4	120.7°	120.0°
C1	C2	C3	H5	120.7°	119.9°
C1	C2	H4	H5	117.9°	120.0°
C1	C2	C3	O1	45.3°	0.0°
C1	C2	C3	C4	134.7°	180.0°
H1	C1	H2	H3	120.0°	120.0°
H1	C1	C2	C3	180.0°	180.0°
H1	C1	C2	H4	59.3°	60.0°
H1	C1	C2	H5	59.3°	60.1°
H2	C1	C2	C3	60.0°	60.1°
H2	C1	C2	H4	60.7°	59.9°
H2	C1	C2	H5	179.3°	180.0°
H3	C1	C2	C3	60.0°	60.0°
H3	C1	C2	H4	179.4°	180.0°
H3	C1	C2	H5	60.7°	59.9°
C3	C2	H4	H5	117.8°	120.0°
C2	C3	O1	C4	180.0°	180.0°
C2	C3	C4	O2	22.1°	0.0°
C2	C3	C4	N1	81.6°	180.0°
H4	C2	C3	O1	75.4°	120.0°
H4	C2	C3	C4	104.6°	60.0°
H5	C2	C3	O1	166.0°	119.9°
H5	C2	C3	C4	14.0°	60.0°
O1	C3	C4	O2	158.0°	180.0°
O1	C3	C4	N1	98.4°	0.1°
C3	C4	O2	N1	78.7°	179.9°
C3	C4	N1	C5	178.5°	174.9°
C3	C4	N1	H6	1.5°	5.2°
O2	C4	N1	C5	34.7°	5.1°
O2	C4	N1	H6	145.3°	174.9°
C5	N1	H6	C4	180.0°	180.0°
N1	C5	C6	C8	179.8°	180.0°
N1	C5	C6	C7	0.0°	5.1°
N1	C5	C6	H7	180.0°	174.8°
N1	C5	C8	O3	73.8°	89.3°
N1	C5	C8	N2	104.5°	90.7°
H6	N1	C5	C6	31.8°	5.1°
H6	N1	C5	C8	148.4°	174.8°
C5	C6	C7	H7	180.0°	179.9°
C5	C6	C7	H8	180.0°	175.4°
C5	C6	C7	H9	60.0°	55.4°
C5	C6	C7	H10	60.0°	64.7°
C6	C5	C8	O3	106.4°	90.7°
C6	C5	N1	C4	148.2°	174.9°
C6	C5	C8	N2	75.3°	89.3°
C8	C5	C6	C7	179.9°	174.9°
C8	C5	C6	H7	0.2°	5.1°
C5	C8	O3	N2	178.2°	180.0°
C5	C8	N2	C9	178.4°	175.2°
C5	C8	N2	C13	1.7°	4.5°
C8	C5	N1	C4	31.6°	5.1°
C6	C7	H8	H9	120.0°	120.0°
C6	C7	H8	H10	120.0°	120.0°
C6	C7	H9	H10	120.0°	120.0°
H7	C6	C7	H8	0.0°	4.6°
H7	C6	C7	H9	120.0°	124.6°
H7	C6	C7	H10	120.0°	115.4°
H8	C7	H9	H10	120.0°	120.0°
O3	C8	N2	C9	0.1°	4.8°
O3	C8	N2	C13	180.0°	175.4°
C9	N2	C13	C8	179.9°	179.8°
N2	C9	C10	C11	114.9°	117.8°
N2	C9	C10	H11	123.8°	121.0°
N2	C9	C11	H11	118.2°	119.4°
N2	C9	C10	O4	122.8°	0.0°
N2	C9	C11	C12	25.4°	22.2°
N2	C9	C11	H12	144.6°	140.6°
N2	C9	C11	H13	93.9°	96.1°
C9	N2	C13	C12	10.9°	24.4°
C9	N2	C13	H16	108.1°	94.6°
C9	N2	C13	H17	130.0°	143.2°
N2	C9	C10	N3	57.2°	180.0°
C13	N2	C9	C10	110.2°	120.7°
C13	N2	C9	C11	8.9°	1.3°
C13	N2	C9	H11	126.4°	118.3°
N2	C13	C12	C11	27.0°	37.3°
N2	C13	C12	H16	119.1°	118.9°
N2	C13	C12	H17	119.0°	118.7°
N2	C13	C12	H14	92.5°	80.9°
N2	C13	C12	H15	146.4°	155.3°
N2	C13	H16	H17	122.8°	122.2°
C10	C9	C11	H11	121.4°	121.1°
C9	C10	O4	N3	180.0°	180.0°
C10	C9	C11	C12	95.0°	97.2°
C10	C9	C11	H12	24.2°	21.2°
C10	C9	C11	H13	145.7°	144.4°
C9	C10	N3	C14	179.9°	180.0°
C9	C10	N3	H18	0.1°	0.0°
C10	C9	N2	C8	69.7°	59.6°
C11	C9	C10	O4	8.0°	117.8°
C9	C11	C12	H12	119.2°	118.4°
C9	C11	C12	H13	119.2°	118.4°
C9	C11	H12	H13	122.2°	123.3°
C9	C11	C12	C13	33.0°	35.7°
C9	C11	C12	H14	86.5°	82.6°
C9	C11	C12	H15	152.4°	153.6°
C11	C9	N2	C8	171.2°	179.0°
C11	C9	C10	N3	172.1°	62.2°
H11	C9	C10	O4	113.3°	121.0°
H11	C9	C11	C12	143.6°	141.7°
H11	C9	C11	H12	97.2°	100.0°
H11	C9	C11	H13	24.4°	23.3°
H11	C9	N2	C8	53.6°	61.5°
H11	C9	C10	N3	66.6°	59.0°
O4	C10	N3	C14	0.1°	0.0°
O4	C10	N3	H18	179.9°	180.0°
C12	C11	H12	H13	122.2°	123.2°
C11	C12	C13	H14	119.5°	118.2°
C11	C12	C13	H15	119.4°	117.9°
C11	C12	H14	H15	121.6°	123.9°
C11	C12	C13	H16	92.1°	81.5°
C11	C12	C13	H17	146.0°	156.1°
H12	C11	C12	C13	152.2°	154.1°
H12	C11	C12	H14	32.7°	35.8°
H12	C11	C12	H15	88.4°	88.1°
H13	C11	C12	C13	86.3°	82.7°
H13	C11	C12	H14	154.3°	159.0°
H13	C11	C12	H15	33.2°	35.2°
C13	C12	H14	H15	121.6°	123.9°
C12	C13	H16	H17	122.8°	122.4°
C12	C13	N2	C8	169.0°	155.8°
H14	C12	C13	H16	148.5°	160.3°
H14	C12	C13	H17	26.6°	37.9°
H15	C12	C13	H16	27.4°	36.4°
H15	C12	C13	H17	94.5°	86.0°
H16	C13	N2	C8	72.0°	85.2°
H17	C13	N2	C8	50.0°	37.1°
C14	N3	H18	C10	180.0°	180.0°
N3	C14	C15	C16	122.6°	120.0°
N3	C14	C15	H19	119.4°	120.0°
N3	C14	C16	H19	118.9°	120.0°
N3	C14	C15	O5	115.2°	0.0°
N3	C14	C16	H20	180.0°	60.0°
N3	C14	C16	H21	60.0°	180.0°
N3	C14	C16	H22	60.0°	60.0°
N3	C14	C15	N4	64.8°	180.0°
H18	N3	C14	C15	94.8°	25.0°
H18	N3	C14	C16	27.9°	95.0°
H18	N3	C14	H19	146.3°	145.0°
C15	C14	C16	H19	118.0°	120.0°
C14	C15	O5	N4	180.0°	180.0°
C15	C14	C16	H20	56.9°	59.9°
C15	C14	C16	H21	176.9°	60.0°
C15	C14	C16	H22	63.1°	179.9°
C14	C15	N4	C17	178.4°	175.1°
C14	C15	N4	H23	1.6°	5.0°
C15	C14	N3	C10	85.2°	155.0°
C16	C14	C15	O5	7.5°	120.0°
C14	C16	H20	H21	120.0°	120.0°
C14	C16	H20	H22	120.0°	120.0°
C14	C16	H21	H22	120.0°	120.0°
C16	C14	C15	N4	172.5°	60.1°
C16	C14	N3	C10	152.1°	85.0°
H19	C14	C15	O5	125.5°	120.0°
H19	C14	C16	H20	61.1°	180.0°
H19	C14	C16	H21	58.9°	60.0°
H19	C14	C16	H22	178.9°	60.0°
H19	C14	C15	N4	54.5°	60.0°
H19	C14	N3	C10	33.7°	35.0°
O5	C15	N4	C17	1.6°	4.8°
O5	C15	N4	H23	178.4°	175.1°
H20	C16	H21	H22	120.0°	120.1°
C17	N4	H23	C15	180.0°	179.9°
N4	C17	C18	C20	179.7°	180.0°
N4	C17	C18	C19	0.1°	5.3°
N4	C17	C18	H24	179.9°	174.7°
N4	C17	C20	O6	83.3°	0.0°
N4	C17	C20	N5	98.4°	180.0°
H23	N4	C17	C18	31.7°	60.1°
H23	N4	C17	C20	148.6°	119.9°
C17	C18	C19	H24	180.0°	180.0°
C17	C18	C19	H25	180.0°	55.1°
C17	C18	C19	H26	60.0°	64.9°
C17	C18	C19	H27	60.0°	175.1°
C18	C17	C20	O6	96.5°	180.0°
C18	C17	N4	C15	148.4°	120.0°
C18	C17	C20	N5	81.9°	0.0°
C20	C17	C18	C19	179.8°	174.7°
C20	C17	C18	H24	0.2°	5.3°
C17	C20	O6	N5	178.2°	180.0°
C17	C20	N5	C21	176.8°	174.9°
C17	C20	N5	H28	3.2°	5.0°
C20	C17	N4	C15	31.4°	60.0°
C18	C19	H25	H26	120.0°	120.0°
C18	C19	H25	H27	120.0°	120.0°
C18	C19	H26	H27	120.0°	120.0°
H24	C18	C19	H25	0.0°	125.0°
H24	C18	C19	H26	120.0°	115.0°
H24	C18	C19	H27	120.0°	4.9°
H25	C19	H26	H27	120.0°	120.0°
O6	C20	N5	C21	1.6°	5.1°
O6	C20	N5	H28	178.5°	175.0°
C21	N5	H28	C20	180.0°	180.0°
N5	C21	C22	C24	179.8°	179.9°
N5	C21	C22	C23	0.1°	5.4°
N5	C21	C22	H29	180.0°	174.6°
N5	C21	C24	O7	122.7°	0.0°
N5	C21	C24	N6	55.8°	180.0°
H28	N5	C21	C22	123.6°	59.1°
H28	N5	C21	C24	56.6°	120.9°
C21	C22	C23	H29	180.0°	179.9°
C21	C22	C23	H30	180.0°	175.0°
C21	C22	C23	H31	60.0°	65.0°
C21	C22	C23	H32	60.0°	55.0°
C22	C21	C24	O7	57.5°	180.0°
C22	C21	N5	C20	56.3°	120.9°
C22	C21	C24	N6	124.1°	0.1°
C24	C21	C22	C23	179.9°	174.6°
C24	C21	C22	H29	0.2°	5.3°
C21	C24	O7	N6	178.3°	180.0°
C21	C24	N6	C25	178.1°	180.0°
C21	C24	N6	H33	1.9°	0.1°
C24	C21	N5	C20	123.5°	59.1°
C22	C23	H30	H31	120.0°	120.0°
C22	C23	H30	H32	120.0°	120.0°
C22	C23	H31	H32	120.0°	120.0°
H29	C22	C23	H30	0.0°	5.0°
H29	C22	C23	H31	120.0°	115.0°
H29	C22	C23	H32	120.0°	125.0°
H30	C23	H31	H32	120.0°	120.0°
O7	C24	N6	C25	0.3°	0.1°
O7	C24	N6	H33	179.7°	180.0°
C25	N6	H33	C24	180.0°	179.9°
N6	C25	C26	C27	122.7°	120.0°
N6	C25	C26	H34	119.3°	120.0°
N6	C25	C27	H34	120.1°	120.1°
N6	C25	C26	H35	86.7°	55.2°
N6	C25	C26	H36	32.1°	175.2°
N6	C25	C27	O8	111.6°	120.2°
N6	C25	C27	N7	68.2°	59.7°
N6	C25	C26	S1	152.7°	64.8°
H33	N6	C25	C26	22.9°	25.0°
H33	N6	C25	C27	98.9°	94.8°
H33	N6	C25	H34	141.6°	145.1°
C26	C25	C27	H34	118.0°	119.9°
C25	C26	H35	H36	118.2°	120.0°
C25	C26	H35	S1	123.6°	120.0°
C25	C26	H36	S1	123.6°	120.0°
C26	C25	C27	O8	126.5°	119.9°
C25	C26	S1	C48	61.4°	159.8°
C26	C25	N6	C24	157.0°	155.0°
C26	C25	C27	N7	53.8°	60.3°
C27	C25	C26	H35	36.0°	175.2°
C27	C25	C26	H36	154.8°	64.8°
C25	C27	O8	N7	179.8°	179.9°
C25	C27	N7	C28	179.9°	176.6°
C25	C27	N7	H37	0.1°	3.5°
C27	C25	N6	C24	81.2°	85.2°
C27	C25	C26	S1	84.6°	55.2°
H34	C25	C26	H35	154.0°	64.9°
H34	C25	C26	H36	87.2°	55.1°
H34	C25	C27	O8	8.5°	0.0°
H34	C25	N6	C24	38.3°	35.0°
H34	C25	C27	N7	171.8°	179.8°
H34	C25	C26	S1	33.4°	175.2°
H35	C26	H36	S1	118.2°	119.9°
H35	C26	S1	C48	59.2°	80.2°
H36	C26	S1	C48	178.0°	39.7°
O8	C27	N7	C28	0.1°	3.6°
O8	C27	N7	H37	179.9°	176.4°
C28	N7	H37	C27	180.0°	180.0°
N7	C28	C29	C30	178.3°	180.0°
N7	C28	C29	H38	178.3°	23.7°
N7	C28	C29	H39	1.7°	156.4°
N7	C28	C30	O9	48.0°	0.6°
N7	C28	C30	N8	127.5°	179.4°
H37	N7	C28	C29	89.7°	174.6°
H37	N7	C28	C30	92.1°	5.5°
C28	C29	H38	H39	180.0°	179.9°
C29	C28	C30	O9	130.2°	179.4°
C29	C28	N7	C27	90.4°	5.4°
C29	C28	C30	N8	54.3°	0.5°
C30	C28	C29	H38	0.0°	156.3°
C30	C28	C29	H39	180.0°	23.6°
C28	C30	O9	N8	175.1°	180.0°
C28	C30	N8	C31	175.5°	175.5°
C28	C30	N8	H40	4.5°	4.4°
C30	C28	N7	C27	87.9°	174.6°
O9	C30	N8	C31	0.1°	4.6°
O9	C30	N8	H40	179.9°	175.5°
C31	N8	H40	C30	180.0°	179.9°
N8	C31	C32	C33	122.2°	119.6°
N8	C31	C32	H41	119.7°	119.6°
N8	C31	C33	H41	119.3°	120.7°
N8	C31	C32	O10	132.3°	95.6°
N8	C31	C33	C34	76.5°	65.0°
N8	C31	C33	H42	44.1°	55.1°
N8	C31	C33	H43	163.0°	175.0°
N8	C31	C32	N10	47.7°	84.4°
H40	N8	C31	C32	125.1°	125.7°
H40	N8	C31	C33	3.0°	114.7°
H40	N8	C31	H41	115.7°	6.1°
C32	C31	C33	H41	118.1°	120.8°
C31	C32	O10	N10	180.0°	180.0°
C32	C31	C33	C34	161.0°	176.5°
C32	C31	C33	H42	78.5°	63.4°
C32	C31	C33	H43	40.4°	56.5°
C31	C32	N10	C42	179.9°	175.3°
C31	C32	N10	H50	0.0°	4.8°
C32	C31	N8	C30	54.9°	54.2°
C33	C31	C32	O10	105.4°	144.8°
C31	C33	C34	H42	120.6°	120.0°
C31	C33	C34	H43	120.6°	120.0°
C31	C33	H42	H43	118.2°	119.9°
C31	C33	C34	C35	116.0°	94.9°
C31	C33	C34	C36	64.0°	84.7°
C33	C31	N8	C30	177.0°	65.4°
C33	C31	C32	N10	74.6°	35.2°
H41	C31	C32	O10	12.7°	24.0°
H41	C31	C33	C34	42.9°	55.8°
H41	C31	C33	H42	163.4°	175.8°
H41	C31	C33	H43	77.7°	64.3°
H41	C31	N8	C30	64.3°	173.8°
H41	C31	C32	N10	167.4°	156.0°
O10	C32	N10	C42	0.1°	4.7°
O10	C32	N10	H50	180.0°	175.2°
C34	C33	H42	H43	118.2°	120.0°
C33	C34	C35	C36	180.0°	179.6°
C33	C34	C35	N9	180.0°	180.0°
C33	C34	C35	H44	0.0°	0.2°
C33	C34	C36	C37	180.0°	179.9°
C33	C34	C36	C38	0.1°	0.1°
H42	C33	C34	C35	4.6°	145.1°
H42	C33	C34	C36	175.4°	35.3°
H43	C33	C34	C35	123.4°	25.1°
H43	C33	C34	C36	56.6°	155.3°
C34	C35	N9	H44	180.0°	179.8°
C35	C34	C36	C37	0.0°	0.3°
C35	C34	C36	C38	179.9°	179.7°
C34	C35	N9	C37	0.0°	0.3°
C34	C35	N9	H45	179.9°	179.9°
C36	C34	C35	N9	0.0°	0.3°
C36	C34	C35	H44	180.0°	179.9°
C34	C36	C37	C38	179.9°	180.0°
C34	C36	C37	N9	0.0°	0.2°
C34	C36	C37	C39	180.0°	180.0°
C34	C36	C38	C40	180.0°	179.9°
C34	C36	C38	H46	0.1°	0.0°
C35	N9	C37	C36	0.1°	0.0°
C35	N9	C37	H45	180.0°	179.8°
C35	N9	C37	C39	180.0°	179.8°
H44	C35	N9	C37	180.0°	179.9°
H44	C35	N9	H45	0.1°	0.1°
C36	C37	N9	C39	180.0°	179.9°
C36	C37	N9	H45	179.9°	179.9°
C37	C36	C38	C40	0.1°	0.0°
C37	C36	C38	H46	180.0°	180.0°
C36	C37	C39	C41	0.0°	0.1°
C36	C37	C39	H47	180.0°	179.9°
C38	C36	C37	N9	180.0°	179.9°
C38	C36	C37	C39	0.1°	0.0°
C36	C38	C40	H46	180.0°	180.0°
C36	C38	C40	C41	0.1°	0.1°
C36	C38	C40	H48	179.9°	180.0°
N9	C37	C39	C41	180.0°	179.8°
N9	C37	C39	H47	0.0°	0.2°
H45	N9	C37	C39	0.1°	0.0°
C37	C39	C41	H47	180.0°	180.0°
C37	C39	C41	C40	0.1°	0.1°
C37	C39	C41	H49	179.9°	180.0°
C38	C40	C41	C39	0.1°	0.1°
C38	C40	C41	H48	180.0°	179.9°
C38	C40	C41	H49	179.9°	180.0°
H46	C38	C40	C41	179.9°	179.9°
H46	C38	C40	H48	0.1°	0.0°
C39	C41	C40	H49	180.0°	179.9°
C39	C41	C40	H48	179.9°	180.0°
H47	C39	C41	C40	179.9°	179.9°
H47	C39	C41	H49	0.1°	0.0°
H48	C40	C41	H49	0.1°	0.1°
C42	N10	H50	C32	180.0°	179.9°
N10	C42	C43	C44	123.2°	119.7°
N10	C42	C43	H51	119.6°	119.7°
N10	C42	C44	H51	119.7°	120.5°
N10	C42	C43	O11	121.6°	75.7°
N10	C42	C44	O12	58.3°	58.2°
N10	C42	C44	C45	179.8°	61.9°
N10	C42	C44	H52	61.4°	178.1°
N10	C42	C43	N11	58.3°	104.2°
H50	N10	C42	C43	131.6°	39.6°
H50	N10	C42	C44	9.8°	80.2°
H50	N10	C42	H51	109.3°	159.2°
C43	C42	C44	H51	117.3°	120.4°
C42	C43	O11	N11	179.9°	179.9°
C43	C42	C44	O12	178.7°	60.9°
C43	C42	C44	C45	57.2°	179.1°
C43	C42	C44	H52	61.6°	59.1°
C42	C43	N11	C46	180.0°	178.1°
C42	C43	N11	H57	0.0°	2.0°
C43	C42	N10	C32	48.5°	140.5°
C44	C42	C43	O11	115.2°	44.1°
C42	C44	O12	C45	122.2°	120.0°
C42	C44	O12	H52	118.8°	120.0°
C42	C44	C45	H52	118.6°	120.0°
C42	C44	O12	H53	180.0°	68.1°
C42	C44	C45	H54	180.0°	60.0°
C42	C44	C45	H55	60.0°	180.0°
C42	C44	C45	H56	60.0°	60.0°
C44	C42	N10	C32	170.2°	99.8°
C44	C42	C43	N11	64.8°	136.0°
H51	C42	C43	O11	2.0°	164.6°
H51	C42	C44	O12	61.4°	178.7°
H51	C42	C44	C45	60.1°	58.7°
H51	C42	C44	H52	178.9°	61.3°
H51	C42	N10	C32	70.7°	20.8°
H51	C42	C43	N11	178.0°	15.5°
O11	C43	N11	C46	0.0°	1.9°
O11	C43	N11	H57	179.9°	178.0°
O12	C44	C45	H52	119.7°	120.0°
O12	C44	C45	H54	58.3°	60.0°
O12	C44	C45	H55	178.3°	60.0°
O12	C44	C45	H56	61.7°	180.0°
C45	C44	O12	H53	57.8°	171.9°
C44	C45	H54	H55	120.0°	119.9°
C44	C45	H54	H56	120.0°	120.0°
C44	C45	H55	H56	120.0°	120.0°
H52	C44	O12	H53	61.2°	51.9°
H52	C44	C45	H54	61.4°	180.0°
H52	C44	C45	H55	58.6°	60.0°
H52	C44	C45	H56	178.6°	60.0°
H54	C45	H55	H56	120.0°	120.0°
C46	N11	H57	C43	180.0°	179.9°
N11	C46	C47	C48	122.2°	119.4°
N11	C46	C47	H58	119.7°	120.3°
N11	C46	C48	H58	119.4°	119.9°
N11	C46	C47	O13	142.8°	20.0°
N11	C46	C48	S1	64.2°	84.9°
N11	C46	C48	H59	56.4°	35.1°
N11	C46	C48	H60	175.1°	155.2°
N11	C46	C47	N12	37.2°	160.0°
H57	N11	C46	C47	125.1°	76.6°
H57	N11	C46	C48	3.1°	43.3°
H57	N11	C46	H58	115.7°	163.2°
C47	C46	C48	H58	118.1°	120.3°
C46	C47	O13	N12	180.0°	180.0°
C47	C46	C48	S1	173.2°	155.3°
C47	C46	C48	H59	66.1°	84.8°
C47	C46	C48	H60	52.5°	35.3°
C46	C47	N12	C49	179.9°	180.0°
C46	C47	N12	H61	0.1°	0.0°
C47	C46	N11	C43	54.9°	103.3°
C48	C46	C47	O13	95.0°	99.4°
C46	C48	S1	H59	120.7°	119.9°
C46	C48	S1	H60	120.7°	119.9°
C46	C48	H59	H60	117.9°	120.1°
C46	C48	S1	C26	105.9°	172.7°
C48	C46	N11	C43	176.8°	136.8°
C48	C46	C47	N12	85.0°	80.6°
H58	C46	C47	O13	23.1°	140.3°
H58	C46	C48	S1	55.1°	35.0°
H58	C46	C48	H59	175.8°	154.9°
H58	C46	C48	H60	65.5°	85.0°
H58	C46	N11	C43	64.3°	16.9°
H58	C46	C47	N12	156.9°	39.7°
O13	C47	N12	C49	0.1°	0.0°
O13	C47	N12	H61	179.9°	180.0°
S1	C48	H59	H60	117.9°	120.1°
H59	C48	S1	C26	14.8°	67.4°
H60	C48	S1	C26	133.4°	52.7°
C49	N12	H61	C47	180.0°	180.0°
N12	C49	C50	C51	123.2°	120.0°
N12	C49	C50	H62	119.6°	120.0°
N12	C49	C51	H62	119.7°	119.9°
N12	C49	C50	O14	109.5°	0.0°
N12	C49	C51	C52	82.0°	60.0°
N12	C49	C51	C53	155.4°	60.0°
N12	C49	C51	H63	36.6°	180.0°
N12	C49	C50	N13	70.4°	180.0°
H61	N12	C49	C50	117.4°	25.0°
H61	N12	C49	C51	4.5°	95.0°
H61	N12	C49	H62	123.5°	145.0°
C50	C49	C51	H62	117.3°	120.1°
C49	C50	O14	N13	180.0°	180.0°
C50	C49	C51	C52	155.0°	60.0°
C50	C49	C51	C53	32.4°	180.0°
C50	C49	C51	H63	86.4°	60.0°
C49	C50	N13	C55	178.5°	174.9°
C49	C50	N13	H72	1.5°	5.1°
C50	C49	N12	C47	62.6°	155.0°
C51	C49	C50	O14	127.3°	120.0°
C49	C51	C52	C53	122.4°	120.0°
C49	C51	C52	H63	118.6°	120.0°
C49	C51	C53	H63	118.6°	120.0°
C49	C51	C52	C54	133.9°	175.0°
C49	C51	C52	H64	105.6°	65.0°
C49	C51	C52	H65	13.3°	55.0°
C49	C51	C53	H66	180.0°	60.0°
C49	C51	C53	H67	60.0°	180.0°
C49	C51	C53	H68	60.0°	60.0°
C51	C49	C50	N13	52.8°	60.0°
C51	C49	N12	C47	175.5°	85.0°
H62	C49	C50	O14	10.1°	120.0°
H62	C49	C51	C52	37.7°	180.0°
H62	C49	C51	C53	84.9°	60.0°
H62	C49	C51	H63	156.3°	60.0°
H62	C49	C50	N13	170.0°	60.0°
H62	C49	N12	C47	56.5°	35.0°
O14	C50	N13	C55	1.6°	5.1°
O14	C50	N13	H72	178.4°	175.0°
C52	C51	C53	H63	118.9°	120.0°
C51	C52	C54	H64	120.6°	120.0°
C51	C52	C54	H65	120.6°	120.0°
C51	C52	H64	H65	118.2°	120.0°
C52	C51	C53	H66	57.6°	60.0°
C52	C51	C53	H67	177.6°	60.0°
C52	C51	C53	H68	62.4°	180.0°
C51	C52	C54	H69	180.0°	60.0°
C51	C52	C54	H70	60.0°	60.0°
C51	C52	C54	H71	60.0°	180.0°
C53	C51	C52	C54	103.7°	65.0°
C53	C51	C52	H64	16.9°	55.0°
C53	C51	C52	H65	135.7°	175.0°
C51	C53	H66	H67	120.0°	120.0°
C51	C53	H66	H68	120.0°	120.0°
C51	C53	H67	H68	120.0°	120.0°
H63	C51	C52	C54	15.3°	55.0°
H63	C51	C52	H64	135.9°	175.0°
H63	C51	C52	H65	105.3°	65.0°
H63	C51	C53	H66	61.3°	180.0°
H63	C51	C53	H67	58.7°	60.0°
H63	C51	C53	H68	178.6°	60.0°
C54	C52	H64	H65	118.1°	120.0°
C52	C54	H69	H70	120.0°	120.0°
C52	C54	H69	H71	120.0°	120.0°
C52	C54	H70	H71	120.0°	120.0°
H64	C52	C54	H69	59.4°	180.0°
H64	C52	C54	H70	179.4°	60.0°
H64	C52	C54	H71	60.6°	60.0°
H65	C52	C54	H69	59.4°	60.0°
H65	C52	C54	H70	60.6°	180.0°
H65	C52	C54	H71	179.4°	60.0°
H66	C53	H67	H68	120.0°	120.0°
H69	C54	H70	H71	120.0°	120.0°
C55	N13	H72	C50	180.0°	180.0°
N13	C55	C56	C58	179.8°	180.0°
N13	C55	C56	C57	0.0°	5.3°
N13	C55	C56	H73	180.0°	174.6°
N13	C55	C58	O15	140.8°	0.0°
N13	C55	C58	N14	40.8°	180.0°
H72	N13	C55	C56	50.6°	59.1°
H72	N13	C55	C58	129.6°	120.9°
C55	C56	C57	H73	180.0°	179.9°
C55	C56	C57	H74	180.0°	175.1°
C55	C56	C57	H75	60.0°	64.9°
C55	C56	C57	H76	60.0°	55.1°
C56	C55	C58	O15	39.0°	180.0°
C56	C55	N13	C50	129.4°	120.9°
C56	C55	C58	N14	139.4°	0.0°
C58	C55	C56	C57	179.8°	174.6°
C58	C55	C56	H73	0.2°	5.4°
C55	C58	O15	N14	178.3°	180.0°
C55	C58	N14	C59	178.5°	180.0°
C55	C58	N14	H77	1.5°	0.0°
C58	C55	N13	C50	50.4°	59.0°
C56	C57	H74	H75	120.0°	120.1°
C56	C57	H74	H76	120.0°	119.9°
C56	C57	H75	H76	119.9°	120.0°
H73	C56	C57	H74	0.0°	5.0°
H73	C56	C57	H75	120.1°	115.0°
H73	C56	C57	H76	120.0°	125.0°
H74	C57	H75	H76	120.0°	119.9°
O15	C58	N14	C59	0.1°	0.0°
O15	C58	N14	H77	179.9°	180.0°
C59	N14	H77	C58	180.0°	180.0°
N14	C59	C60	C61	122.7°	120.0°
N14	C59	C60	H78	119.4°	120.0°
N14	C59	C61	H78	118.9°	120.0°
N14	C59	C60	O16	136.0°	0.0°
N14	C59	C61	H79	180.0°	180.0°
N14	C59	C61	H80	60.0°	60.0°
N14	C59	C61	H81	60.0°	60.0°
N14	C59	C60	N15	44.0°	180.0°
H77	N14	C59	C60	115.0°	25.0°
H77	N14	C59	C61	7.8°	95.0°
H77	N14	C59	H78	126.1°	145.0°
C60	C59	C61	H78	117.9°	120.0°
C59	C60	O16	N15	179.9°	180.0°
C60	C59	C61	H79	56.9°	60.0°
C60	C59	C61	H80	176.8°	180.0°
C60	C59	C61	H81	63.2°	60.0°
C59	C60	N15	C62	180.0°	180.0°
C59	C60	N15	H82	0.0°	0.0°
C60	C59	N14	C58	65.0°	155.0°
C61	C59	C60	O16	101.3°	120.0°
C59	C61	H79	H80	120.0°	120.0°
C59	C61	H79	H81	120.0°	120.0°
C59	C61	H80	H81	120.0°	120.0°
C61	C59	N14	C58	172.2°	85.0°
C61	C59	C60	N15	78.6°	60.0°
H78	C59	C60	O16	16.7°	120.0°
H78	C59	C61	H79	61.1°	60.0°
H78	C59	C61	H80	58.9°	60.0°
H78	C59	C61	H81	178.9°	180.0°
H78	C59	N14	C58	53.8°	35.1°
H78	C59	C60	N15	163.4°	60.0°
O16	C60	N15	C62	0.0°	0.0°
O16	C60	N15	H82	180.0°	180.0°
H79	C61	H80	H81	120.0°	120.0°
C62	N15	H82	C60	180.0°	180.0°
N15	C62	C63	H83	120.5°	120.0°
N15	C62	C63	H84	120.4°	119.9°
N15	C62	H83	H84	118.6°	120.0°
N15	C62	C63	O17	132.4°	0.1°
N15	C62	C63	N16	47.7°	180.0°
H82	N15	C62	C63	109.1°	0.1°
H82	N15	C62	H83	130.5°	120.0°
H82	N15	C62	H84	11.3°	120.0°
C63	C62	H83	H84	118.6°	120.0°
C62	C63	O17	N16	179.8°	179.9°
C62	C63	N16	C64	179.9°	179.9°
C62	C63	N16	H85	0.0°	0.0°
C63	C62	N15	C60	70.9°	180.0°
H83	C62	C63	O17	12.0°	120.0°
H83	C62	N15	C60	49.5°	60.0°
H83	C62	C63	N16	168.2°	60.0°
H84	C62	C63	O17	107.1°	120.0°
H84	C62	N15	C60	168.6°	60.0°
H84	C62	C63	N16	72.7°	60.1°
O17	C63	N16	C64	0.1°	0.0°
O17	C63	N16	H85	179.9°	180.0°
C64	N16	H85	C63	180.0°	180.0°
N16	C64	C65	C66	123.1°	120.0°
N16	C64	C65	H86	119.6°	120.0°
N16	C64	C66	H86	119.7°	120.0°
N16	C64	C65	O18	133.6°	18.6°
N16	C64	C66	C67	170.9°	64.0°
N16	C64	C66	C68	66.0°	176.1°
N16	C64	C66	H87	52.4°	56.0°
N16	C64	C65	N17	46.5°	161.4°
H85	N16	C64	C65	129.9°	25.0°
H85	N16	C64	C66	8.1°	95.0°
H85	N16	C64	H86	110.9°	145.0°
C65	C64	C66	H86	117.4°	120.0°
C64	C65	O18	N17	180.0°	180.0°
C65	C64	C66	C67	47.9°	56.0°
C65	C64	C66	C68	171.1°	64.0°
C65	C64	C66	H87	70.5°	176.0°
C64	C65	N17	C69	178.4°	175.5°
C64	C65	N17	H94	1.6°	4.5°
C65	C64	N16	C63	50.1°	155.0°
C66	C64	C65	O18	103.3°	101.5°
C64	C66	C67	C68	122.9°	120.0°
C64	C66	C67	H87	118.3°	120.1°
C64	C66	C68	H87	118.3°	120.1°
C64	C66	C67	H88	180.0°	60.0°
C64	C66	C67	H89	60.0°	180.0°
C64	C66	C67	H90	60.0°	60.0°
C64	C66	C68	H91	180.0°	52.9°
C64	C66	C68	H92	60.0°	172.9°
C64	C66	C68	H93	60.0°	67.0°
C66	C64	C65	N17	76.7°	78.6°
C66	C64	N16	C63	171.9°	85.0°
H86	C64	C65	O18	13.9°	138.6°
H86	C64	C66	C67	69.4°	176.0°
H86	C64	C66	C68	53.7°	56.0°
H86	C64	C66	H87	172.1°	64.0°
H86	C64	C65	N17	166.1°	41.4°
H86	C64	N16	C63	69.0°	35.0°
O18	C65	N17	C69	1.5°	4.6°
O18	C65	N17	H94	178.4°	175.5°
C67	C66	C68	H87	118.8°	119.9°
C66	C67	H88	H89	120.0°	120.1°
C66	C67	H88	H90	120.0°	120.0°
C66	C67	H89	H90	120.0°	120.0°
C67	C66	C68	H91	57.1°	172.9°
C67	C66	C68	H92	63.0°	67.1°
C67	C66	C68	H93	177.1°	53.0°
C68	C66	C67	H88	57.1°	60.0°
C68	C66	C67	H89	177.1°	60.0°
C68	C66	C67	H90	62.9°	179.9°
C66	C68	H91	H92	120.0°	120.0°
C66	C68	H91	H93	120.0°	119.9°
C66	C68	H92	H93	120.0°	120.0°
H87	C66	C67	H88	61.7°	179.9°
H87	C66	C67	H89	58.3°	59.9°
H87	C66	C67	H90	178.3°	60.0°
H87	C66	C68	H91	61.8°	67.2°
H87	C66	C68	H92	178.2°	52.8°
H87	C66	C68	H93	58.2°	172.9°
H88	C67	H89	H90	120.0°	120.0°
H91	C68	H92	H93	120.0°	120.0°
C69	N17	H94	C65	180.0°	180.0°
N17	C69	C70	C72	179.7°	180.0°
N17	C69	C70	C71	0.1°	5.4°
N17	C69	C70	H95	179.9°	174.6°
N17	C69	C72	O19	143.0°	0.0°
N17	C69	C72	N18	38.5°	180.0°
H94	N17	C69	C70	53.2°	59.1°
H94	N17	C69	C72	127.0°	120.8°
C69	C70	C71	H95	180.0°	179.9°
C69	C70	C71	H96	180.0°	55.2°
C69	C70	C71	H97	60.0°	175.2°
C69	C70	C71	H98	60.0°	64.8°
C70	C69	C72	O19	36.7°	180.0°
C70	C69	N17	C65	126.8°	120.9°
C70	C69	C72	N18	141.8°	0.1°
C72	C69	C70	C71	179.8°	174.6°
C72	C69	C70	H95	0.2°	5.3°
C69	C72	O19	N18	178.4°	180.0°
C69	C72	N18	C73	178.4°	180.0°
C69	C72	N18	H99	1.5°	0.1°
C72	C69	N17	C65	52.9°	59.2°
C70	C71	H96	H97	120.0°	120.0°
C70	C71	H96	H98	120.0°	120.0°
C70	C71	H97	H98	120.0°	120.0°
H95	C70	C71	H96	0.0°	124.8°
H95	C70	C71	H97	120.0°	4.9°
H95	C70	C71	H98	120.0°	115.1°
H96	C71	H97	H98	120.0°	120.0°
O19	C72	N18	C73	0.0°	0.1°
O19	C72	N18	H99	180.0°	179.9°
C73	N18	H99	C72	180.0°	179.9°
N18	C73	C74	C75	123.2°	120.0°
N18	C73	C74	H100	119.7°	120.0°
N18	C73	C75	H100	119.7°	120.0°
N18	C73	C74	O20	135.5°	4.8°
N18	C73	C75	C76	165.5°	63.6°
N18	C73	C75	C77	71.4°	56.3°
N18	C73	C75	H101	47.1°	176.4°
N18	C73	C74	N19	44.5°	175.1°
H99	N18	C73	C74	108.0°	24.9°
H99	N18	C73	C75	13.8°	95.1°
H99	N18	C73	H100	132.8°	144.9°
C74	C73	C75	H100	117.3°	120.0°
C73	C74	O20	N19	179.9°	180.0°
C74	C73	C75	C76	42.5°	176.3°
C74	C73	C75	C77	165.6°	63.7°
C74	C73	C75	H101	76.0°	56.4°
C73	C74	N19	C78	179.8°	175.0°
C73	C74	N19	H108	0.2°	5.0°
C74	C73	N18	C72	72.0°	155.0°
C75	C73	C74	O20	101.4°	115.1°
C73	C75	C76	C77	122.9°	120.0°
C73	C75	C76	H101	118.3°	120.0°
C73	C75	C77	H101	118.3°	120.0°
C73	C75	C76	H102	180.0°	60.0°
C73	C75	C76	H103	60.0°	180.0°
C73	C75	C76	H104	60.0°	60.0°
C73	C75	C77	H105	180.0°	64.5°
C73	C75	C77	H106	60.0°	55.5°
C73	C75	C77	H107	60.0°	175.4°
C75	C73	N18	C72	166.2°	85.0°
C75	C73	C74	N19	78.7°	64.9°
H100	C73	C74	O20	15.8°	124.9°
H100	C73	C75	C76	74.8°	56.3°
H100	C73	C75	C77	48.3°	176.3°
H100	C73	C75	H101	166.8°	63.7°
H100	C73	N18	C72	47.1°	34.9°
H100	C73	C74	N19	164.1°	55.1°
O20	C74	N19	C78	0.3°	5.0°
O20	C74	N19	H108	179.7°	175.0°
C76	C75	C77	H101	118.8°	120.0°
C75	C76	H102	H103	120.0°	119.9°
C75	C76	H102	H104	120.0°	120.0°
C75	C76	H103	H104	120.0°	120.0°
C76	C75	C77	H105	57.1°	55.4°
C76	C75	C77	H106	62.9°	175.4°
C76	C75	C77	H107	177.1°	64.6°
C77	C75	C76	H102	57.1°	60.0°
C77	C75	C76	H103	177.2°	60.0°
C77	C75	C76	H104	62.9°	180.0°
C75	C77	H105	H106	120.0°	120.0°
C75	C77	H105	H107	120.0°	120.0°
C75	C77	H106	H107	120.0°	120.0°
H101	C75	C76	H102	61.7°	180.0°
H101	C75	C76	H103	58.3°	60.0°
H101	C75	C76	H104	178.3°	60.0°
H101	C75	C77	H105	61.7°	175.5°
H101	C75	C77	H106	178.3°	64.5°
H101	C75	C77	H107	58.3°	55.4°
H102	C76	H103	H104	120.0°	120.0°
H105	C77	H106	H107	120.0°	120.0°
C78	N19	H108	C74	180.0°	180.0°
N19	C78	C79	C80	122.7°	119.9°
N19	C78	C79	H109	119.3°	120.0°
N19	C78	C80	H109	120.0°	120.0°
N19	C78	C79	H110	65.8°	93.7°
N19	C78	C79	H111	53.1°	146.4°
N19	C78	C80	O21	127.5°	114.8°
N19	C78	C80	N20	52.7°	65.3°
N19	C78	C79	S2	173.6°	26.3°
H108	N19	C78	C79	116.9°	25.0°
H108	N19	C78	C80	121.3°	94.9°
H108	N19	C78	H109	1.9°	145.0°
C79	C78	C80	H109	118.0°	120.1°
C78	C79	H110	H111	118.4°	119.9°
C78	C79	H110	S2	123.3°	120.1°
C78	C79	H111	S2	123.4°	120.1°
C79	C78	C80	O21	5.6°	5.1°
C78	C79	S2	C95	56.5°	145.9°
C79	C78	N19	C74	63.1°	155.0°
C79	C78	C80	N20	174.6°	174.8°
C80	C78	C79	H110	56.8°	146.3°
C80	C78	C79	H111	175.8°	26.4°
C78	C80	O21	N20	179.8°	179.9°
C78	C80	N20	C81	179.9°	179.8°
C78	C80	N20	H112	0.1°	0.2°
C80	C78	N19	C74	58.7°	85.0°
C80	C78	C79	S2	63.7°	93.6°
H109	C78	C79	H110	174.8°	26.3°
H109	C78	C79	H111	66.2°	93.7°
H109	C78	C80	O21	112.4°	125.2°
H109	C78	N19	C74	178.1°	35.0°
H109	C78	C80	N20	67.3°	54.7°
H109	C78	C79	S2	54.3°	146.3°
H110	C79	H111	S2	118.3°	120.0°
H110	C79	S2	C95	64.0°	94.1°
H111	C79	S2	C95	177.0°	25.9°
O21	C80	N20	C81	0.1°	0.2°
O21	C80	N20	H112	179.9°	179.7°
C81	N20	H112	C80	180.0°	179.9°
N20	C81	C82	C83	122.7°	119.7°
N20	C81	C82	H113	119.4°	119.7°
N20	C81	C83	H113	118.9°	120.5°
N20	C81	C82	O22	178.0°	27.1°
N20	C81	C83	H114	180.0°	60.0°
N20	C81	C83	H115	60.0°	180.0°
N20	C81	C83	H116	60.0°	60.0°
N20	C81	C82	N21	2.0°	153.0°
H112	N20	C81	C82	115.9°	118.6°
H112	N20	C81	C83	6.9°	1.1°
H112	N20	C81	H113	125.3°	121.6°
C82	C81	C83	H113	117.9°	120.6°
C81	C82	O22	N21	180.0°	180.0°
C82	C81	C83	H114	56.8°	58.9°
C82	C81	C83	H115	176.8°	61.1°
C82	C81	C83	H116	63.2°	179.0°
C81	C82	N21	C84	179.8°	179.5°
C81	C82	N21	H117	0.2°	0.5°
C82	C81	N20	C80	64.1°	61.5°
C83	C81	C82	O22	59.3°	92.6°
C81	C83	H114	H115	120.0°	120.0°
C81	C83	H114	H116	120.0°	120.0°
C81	C83	H115	H116	120.0°	120.0°
C83	C81	N20	C80	173.1°	178.8°
C83	C81	C82	N21	120.7°	87.4°
H113	C81	C82	O22	58.6°	146.8°
H113	C81	C83	H114	61.0°	179.5°
H113	C81	C83	H115	59.0°	59.5°
H113	C81	C83	H116	179.0°	60.4°
H113	C81	N20	C80	54.7°	58.3°
H113	C81	C82	N21	121.4°	33.2°
O22	C82	N21	C84	0.3°	0.5°
O22	C82	N21	H117	179.7°	179.4°
H114	C83	H115	H116	120.0°	120.0°
C84	N21	H117	C82	180.0°	180.0°
N21	C84	C85	C86	122.2°	119.7°
N21	C84	C85	H118	119.7°	119.8°
N21	C84	C86	H118	119.4°	120.5°
N21	C84	C85	O23	132.9°	39.4°
N21	C84	C86	O24	126.0°	51.7°
N21	C84	C86	H119	5.8°	68.3°
N21	C84	C86	H120	113.7°	171.6°
N21	C84	C85	N22	47.2°	140.7°
H117	N21	C84	C85	94.1°	89.1°
H117	N21	C84	C86	27.9°	151.2°
H117	N21	C84	H118	146.7°	30.6°
C85	C84	C86	H118	118.1°	120.4°
C84	C85	O23	N22	180.0°	180.0°
C85	C84	C86	O24	111.4°	170.9°
C85	C84	C86	H119	128.3°	50.9°
C85	C84	C86	H120	8.8°	69.2°
C84	C85	N22	C87	180.0°	179.7°
C84	C85	N22	H122	0.0°	0.3°
C85	C84	N21	C82	85.9°	90.9°
C86	C84	C85	O23	104.9°	159.1°
C84	C86	O24	H119	120.3°	120.0°
C84	C86	O24	H120	120.3°	120.0°
C84	C86	H119	H120	119.3°	120.1°
C84	C86	O24	H121	180.0°	179.9°
C86	C84	N21	C82	152.1°	28.8°
C86	C84	C85	N22	75.1°	20.9°
H118	C84	C85	O23	13.2°	80.4°
H118	C84	C86	O24	6.7°	68.8°
H118	C84	C86	H119	113.6°	171.2°
H118	C84	C86	H120	126.9°	51.2°
H118	C84	N21	C82	33.3°	149.3°
H118	C84	C85	N22	166.9°	99.6°
O23	C85	N22	C87	0.0°	0.4°
O23	C85	N22	H122	180.0°	179.7°
O24	C86	H119	H120	119.2°	120.0°
H119	C86	O24	H121	59.8°	60.0°
H120	C86	O24	H121	59.7°	60.0°
C87	N22	H122	C85	180.0°	180.0°
N22	C87	C88	C89	122.1°	119.8°
N22	C87	C88	H123	119.8°	119.7°
N22	C87	C89	H123	119.3°	120.5°
N22	C87	C88	O25	130.9°	69.1°
N22	C87	C89	C90	37.3°	64.6°
N22	C87	C89	H124	83.6°	55.4°
N22	C87	C89	H125	158.3°	175.3°
N22	C87	C88	N23	49.0°	110.8°
H122	N22	C87	C88	58.4°	69.7°
H122	N22	C87	C89	63.6°	50.0°
H122	N22	C87	H123	177.6°	170.6°
C88	C87	C89	H123	118.1°	120.5°
C87	C88	O25	N23	179.9°	179.9°
C88	C87	C89	C90	159.9°	176.3°
C88	C87	C89	H124	38.9°	63.6°
C88	C87	C89	H125	79.2°	56.3°
C87	C88	N23	C93	179.9°	179.8°
C87	C88	N23	H133	0.1°	0.3°
C88	C87	N22	C85	121.6°	110.2°
C89	C87	C88	O25	106.9°	50.7°
C87	C89	C90	H124	121.0°	120.0°
C87	C89	C90	H125	121.0°	120.0°
C87	C89	H124	H125	117.0°	120.0°
C87	C89	C90	C91	179.4°	174.2°
C87	C89	C90	C92	56.6°	65.8°
C87	C89	C90	H126	62.0°	54.2°
C89	C87	N22	C85	116.5°	130.0°
C89	C87	C88	N23	73.1°	129.4°
H123	C87	C88	O25	11.2°	171.2°
H123	C87	C89	C90	82.0°	55.9°
H123	C87	C89	H124	157.0°	175.9°
H123	C87	C89	H125	38.9°	64.1°
H123	C87	N22	C85	2.3°	9.5°
H123	C87	C88	N23	168.8°	8.9°
O25	C88	N23	C93	0.0°	0.1°
O25	C88	N23	H133	180.0°	179.8°
C90	C89	H124	H125	117.0°	120.0°
C89	C90	C91	C92	122.7°	120.0°
C89	C90	C91	H126	118.6°	120.0°
C89	C90	C92	H126	118.6°	120.0°
C89	C90	C91	H127	180.0°	175.1°
C89	C90	C91	H128	60.0°	55.1°
C89	C90	C91	H129	60.0°	64.9°
C89	C90	C92	H130	180.0°	60.1°
C89	C90	C92	H131	60.0°	180.0°
C89	C90	C92	H132	60.0°	60.0°
H124	C89	C90	C91	59.7°	54.2°
H124	C89	C90	C92	177.6°	174.2°
H124	C89	C90	H126	59.0°	65.8°
H125	C89	C90	C91	58.4°	65.8°
H125	C89	C90	C92	64.3°	54.2°
H125	C89	C90	H126	177.1°	174.2°
C91	C90	C92	H126	118.7°	120.0°
C90	C91	H127	H128	120.0°	120.0°
C90	C91	H127	H129	120.0°	119.9°
C90	C91	H128	H129	120.0°	120.0°
C91	C90	C92	H130	57.3°	180.0°
C91	C90	C92	H131	62.7°	60.0°
C91	C90	C92	H132	177.3°	60.0°
C92	C90	C91	H127	57.3°	64.9°
C92	C90	C91	H128	177.4°	175.1°
C92	C90	C91	H129	62.7°	55.1°
C90	C92	H130	H131	120.0°	119.9°
C90	C92	H130	H132	120.0°	120.0°
C90	C92	H131	H132	120.0°	120.0°
H126	C90	C91	H127	61.4°	55.1°
H126	C90	C91	H128	58.7°	64.8°
H126	C90	C91	H129	178.6°	175.1°
H126	C90	C92	H130	61.4°	59.9°
H126	C90	C92	H131	178.6°	60.0°
H126	C90	C92	H132	58.6°	180.0°
H127	C91	H128	H129	120.0°	120.1°
H130	C92	H131	H132	120.0°	120.0°
C93	N23	H133	C88	180.0°	179.9°
N23	C93	C94	C95	122.2°	119.2°
N23	C93	C94	H134	119.7°	120.3°
N23	C93	C95	H134	119.4°	119.8°
N23	C93	C94	O26	56.1°	20.0°
N23	C93	C95	S2	58.6°	102.7°
N23	C93	C95	H135	62.1°	17.3°
N23	C93	C95	H136	179.2°	137.3°
N23	C93	C94	N24	123.9°	160.0°
H133	N23	C93	C94	153.4°	85.7°
H133	N23	C93	C95	31.4°	34.1°
H133	N23	C93	H134	87.4°	154.0°
C94	C93	C95	H134	118.0°	120.4°
C93	C94	O26	N24	180.0°	180.0°
C94	C93	C95	S2	178.8°	137.5°
C94	C93	C95	H135	60.5°	102.5°
C94	C93	C95	H136	58.2°	17.6°
C93	C94	N24	C96	180.0°	180.0°
C93	C94	N24	C100	0.0°	0.3°
C94	C93	N23	C88	26.7°	94.3°
C95	C93	C94	O26	66.2°	99.2°
C93	C95	S2	H135	120.7°	120.0°
C93	C95	S2	H136	120.7°	120.0°
C93	C95	H135	H136	117.9°	120.0°
C93	C95	S2	C79	87.4°	146.3°
C95	C93	N23	C88	148.7°	146.0°
C95	C93	C94	N24	113.8°	80.7°
H134	C93	C94	O26	175.8°	140.3°
H134	C93	C95	S2	60.8°	17.1°
H134	C93	C95	H135	178.5°	137.1°
H134	C93	C95	H136	59.9°	102.9°
H134	C93	N23	C88	92.5°	26.1°
H134	C93	C94	N24	4.2°	39.7°
O26	C94	N24	C96	0.0°	0.0°
O26	C94	N24	C100	180.0°	179.7°
S2	C95	H135	H136	117.9°	120.0°
H135	C95	S2	C79	33.3°	26.3°
H136	C95	S2	C79	151.9°	93.7°
C96	N24	C100	C94	180.0°	179.8°
N24	C96	C97	C98	114.8°	117.8°
N24	C96	C97	H137	123.9°	121.0°
N24	C96	C98	H137	118.2°	119.5°
N24	C96	C97	O27	45.5°	0.1°
N24	C96	C98	C99	25.9°	22.2°
N24	C96	C98	H138	93.3°	140.6°
N24	C96	C98	H139	145.2°	96.2°
C96	N24	C100	C99	5.2°	24.4°
C96	N24	C100	H142	124.3°	94.5°
C96	N24	C100	H143	113.9°	143.2°
N24	C96	C97	N25	134.5°	180.0°
C100	N24	C96	C97	132.0°	120.7°
C100	N24	C96	C98	12.9°	1.3°
C100	N24	C96	H137	104.7°	118.3°
N24	C100	C99	C98	22.0°	37.3°
N24	C100	C99	H142	119.1°	118.8°
N24	C100	C99	H143	119.1°	118.8°
N24	C100	C99	H140	141.6°	80.8°
N24	C100	C99	H141	97.6°	155.3°
N24	C100	H142	H143	122.5°	122.3°
C97	C96	C98	H137	121.4°	121.1°
C96	C97	O27	N25	180.0°	179.9°
C97	C96	C98	C99	146.3°	97.2°
C97	C96	C98	H138	27.1°	21.2°
C97	C96	C98	H139	94.5°	144.4°
C96	C97	N25	C101	179.6°	180.0°
C96	C97	N25	H144	0.4°	0.0°
C97	C96	N24	C94	48.0°	59.6°
C98	C96	C97	O27	69.4°	117.7°
C96	C98	C99	H138	119.2°	118.4°
C96	C98	C99	H139	119.2°	118.4°
C96	C98	H138	H139	122.2°	123.2°
C96	C98	C99	C100	30.2°	35.7°
C96	C98	C99	H140	149.8°	82.6°
C96	C98	C99	H141	89.4°	153.6°
C98	C96	C97	N25	110.7°	62.2°
C98	C96	N24	C94	167.1°	179.0°
H137	C96	C97	O27	169.3°	121.1°
H137	C96	C98	C99	92.3°	141.7°
H137	C96	C98	H138	148.4°	100.0°
H137	C96	C98	H139	26.9°	23.3°
H137	C96	C97	N25	10.6°	59.0°
H137	C96	N24	C94	75.4°	61.5°
O27	C97	N25	C101	0.3°	0.1°
O27	C97	N25	H144	179.7°	179.9°
C99	C98	H138	H139	122.2°	123.2°
C98	C99	C100	H140	119.6°	118.1°
C98	C99	C100	H141	119.6°	118.0°
C98	C99	H140	H141	121.1°	123.9°
C98	C99	C100	H142	141.1°	81.5°
C98	C99	C100	H143	97.1°	156.0°
H138	C98	C99	C100	89.0°	154.0°
H138	C98	C99	H140	30.6°	35.8°
H138	C98	C99	H141	151.4°	88.0°
H139	C98	C99	C100	149.5°	82.7°
H139	C98	C99	H140	90.9°	159.0°
H139	C98	C99	H141	29.9°	35.2°
C100	C99	H140	H141	121.1°	123.9°
C99	C100	H142	H143	122.6°	122.4°
C99	C100	N24	C94	174.8°	155.8°
H140	C99	C100	H142	99.3°	160.4°
H140	C99	C100	H143	22.5°	38.0°
H141	C99	C100	H142	21.5°	36.5°
H141	C99	C100	H143	143.3°	85.9°
H142	C100	N24	C94	55.7°	85.3°
H143	C100	N24	C94	66.1°	37.0°
N25	C101	C102	C103	122.7°	120.3°
N25	C101	C102	H145	119.7°	119.5°
N25	C101	C103	H145	119.6°	118.9°
N25	C101	C102	O28	179.6°	151.7°
N25	C101	C103	C104	90.4°	147.3°
C101	N25	H144	C97	180.0°	180.0°
N25	C101	C103	H146	26.7°	28.9°
N25	C101	C103	S3	144.0°	90.1°
N25	C101	C102	N26	1.3°	30.9°
C102	C101	C103	H145	117.8°	120.4°
C101	C102	O28	N26	179.0°	177.4°
C102	C101	C103	C104	147.0°	92.0°
C102	C101	N25	H144	86.3°	95.0°
C102	C101	C103	H146	95.9°	149.6°
C101	C102	N26	C105	177.5°	167.7°
C101	C102	N26	H150	2.6°	13.0°
C102	C101	N25	C97	93.7°	85.0°
C102	C101	C103	S3	21.4°	30.6°
C103	C101	C102	O28	56.9°	31.4°
C101	C103	C104	H146	117.0°	118.4°
C101	C103	C104	S3	128.4°	122.2°
C103	C101	N25	H144	35.6°	26.2°
C101	C103	H146	S3	124.1°	119.8°
C101	C103	C104	H147	180.0°	60.0°
C101	C103	C104	H148	60.0°	180.0°
C101	C103	C104	H149	60.0°	60.0°
C101	C103	S3	C117	139.3°	109.0°
C103	C101	N25	C97	144.4°	153.8°
C103	C101	C102	N26	124.0°	151.1°
O28	C102	C101	H145	60.7°	88.8°
O28	C102	N26	C105	1.6°	14.9°
O28	C102	N26	H150	178.4°	164.4°
C104	C103	C101	H145	29.2°	28.4°
C104	C103	H146	S3	118.4°	120.8°
C103	C104	H147	H148	120.0°	120.0°
C103	C104	H147	H149	120.0°	120.0°
C103	C104	H148	H149	120.0°	120.0°
C104	C103	S3	C117	96.2°	13.0°
H144	N25	C101	H145	154.5°	145.2°
H145	C101	C103	H146	146.3°	90.0°
H145	C101	N25	C97	25.5°	34.8°
H145	C101	C103	S3	96.4°	151.0°
H145	C101	C102	N26	118.3°	88.6°
H146	C103	C104	H147	63.1°	178.4°
H146	C103	C104	H148	56.9°	61.6°
H146	C103	C104	H149	177.0°	58.4°
H146	C103	S3	C117	20.3°	132.2°
H147	C104	H148	H149	120.0°	120.1°
H147	C104	C103	S3	51.5°	62.1°
H148	C104	C103	S3	171.6°	57.9°
H149	C104	C103	S3	68.4°	177.9°
C105	N26	H150	C102	180.0°	179.3°
N26	C105	C106	C108	179.9°	176.3°
N26	C105	C106	C107	0.0°	0.0°
N26	C105	C106	H151	180.0°	180.0°
N26	C105	C108	O29	151.4°	27.1°
N26	C105	C108	N27	30.1°	151.2°
H150	N26	C105	C106	75.8°	32.4°
H150	N26	C105	C108	104.4°	144.0°
C105	C106	C107	H151	180.0°	180.0°
C105	C106	C107	H152	180.0°	60.0°
C105	C106	C107	H153	60.0°	59.9°
C105	C106	C107	H154	60.0°	180.0°
C106	C105	C108	O29	28.5°	149.3°
C106	C105	N26	C102	104.3°	146.9°
C106	C105	C108	N27	150.0°	32.3°
C108	C105	C106	C107	179.9°	176.3°
C108	C105	C106	H151	0.1°	3.7°
C105	C108	O29	N27	178.3°	178.3°
C105	C108	N27	C109	178.5°	177.3°
C105	C108	N27	H155	1.5°	3.2°
C108	C105	N26	C102	75.6°	36.7°
C106	C107	H152	H153	120.0°	120.0°
C106	C107	H152	H154	120.0°	120.1°
C106	C107	H153	H154	120.0°	120.1°
H151	C106	C107	H152	0.0°	120.1°
H151	C106	C107	H153	120.0°	120.0°
H151	C106	C107	H154	120.0°	0.0°
H152	C107	H153	H154	120.0°	119.9°
O29	C108	N27	C109	0.0°	4.4°
O29	C108	N27	H155	179.9°	175.1°
C109	N27	H155	C108	180.0°	179.5°
N27	C109	C110	C111	122.2°	120.9°
N27	C109	C110	H156	119.7°	119.6°
N27	C109	C111	H156	119.4°	119.8°
N27	C109	C110	O30	177.2°	125.1°
N27	C109	C111	C112	76.7°	65.0°
N27	C109	C111	H157	162.7°	55.0°
N27	C109	C111	H158	43.9°	175.0°
N27	C109	C110	N29	2.9°	55.1°
H155	N27	C109	C110	72.9°	142.5°
H155	N27	C109	C111	49.0°	96.7°
H155	N27	C109	H156	167.8°	22.9°
C110	C109	C111	H156	118.1°	119.6°
C109	C110	O30	N29	180.0°	179.8°
C110	C109	C111	C112	45.8°	174.4°
C110	C109	C111	H157	74.8°	65.6°
C110	C109	C111	H158	166.4°	54.4°
C109	C110	N29	C115	180.0°	178.1°
C109	C110	N29	H168	0.0°	1.7°
C110	C109	N27	C108	107.1°	37.0°
C111	C109	C110	O30	55.0°	4.1°
C109	C111	C112	H157	120.6°	119.9°
C109	C111	C112	H158	120.6°	120.0°
C109	C111	H157	H158	118.1°	120.0°
C109	C111	C112	C113	167.9°	180.0°
C109	C111	C112	H159	47.7°	60.1°
C109	C111	C112	H160	71.8°	60.0°
C111	C109	N27	C108	131.0°	83.8°
C111	C109	C110	N29	125.0°	176.1°
H156	C109	C110	O30	63.1°	115.4°
H156	C109	C111	C112	163.9°	54.8°
H156	C109	C111	H157	43.3°	174.8°
H156	C109	C111	H158	75.5°	65.2°
H156	C109	N27	C108	12.1°	156.6°
H156	C109	C110	N29	116.9°	64.4°
O30	C110	N29	C115	0.0°	2.1°
O30	C110	N29	H168	180.0°	178.1°
C112	C111	H157	H158	118.1°	120.0°
C111	C112	C113	H159	120.3°	120.0°
C111	C112	C113	H160	120.3°	120.0°
C111	C112	H159	H160	119.1°	120.0°
C111	C112	C113	C114	86.7°	180.0°
C111	C112	C113	H161	33.6°	59.9°
C111	C112	C113	H162	153.0°	60.0°
H157	C111	C112	C113	71.4°	60.0°
H157	C111	C112	H159	168.3°	180.0°
H157	C111	C112	H160	48.8°	59.9°
H158	C111	C112	C113	47.4°	60.0°
H158	C111	C112	H159	72.9°	59.9°
H158	C111	C112	H160	167.6°	180.0°
C113	C112	H159	H160	119.0°	120.0°
C112	C113	C114	H161	120.3°	120.1°
C112	C113	C114	H162	120.3°	120.0°
C112	C113	H161	H162	119.1°	120.0°
C112	C113	C114	N28	86.9°	180.0°
C112	C113	C114	H163	152.7°	59.9°
C112	C113	C114	H164	33.5°	60.0°
H159	C112	C113	C114	153.0°	60.0°
H159	C112	C113	H161	86.7°	179.9°
H159	C112	C113	H162	32.7°	60.0°
H160	C112	C113	C114	33.6°	60.0°
H160	C112	C113	H161	153.9°	60.0°
H160	C112	C113	H162	86.7°	180.0°
C114	C113	H161	H162	119.1°	120.0°
C113	C114	N28	H163	120.4°	120.1°
C113	C114	N28	H164	120.4°	120.0°
C113	C114	H163	H164	118.9°	119.9°
C113	C114	N28	H165	180.0°	180.0°
C113	C114	N28	H166	60.0°	59.9°
C113	C114	N28	H167	60.0°	60.0°
H161	C113	C114	N28	33.4°	59.9°
H161	C113	C114	H163	86.9°	180.0°
H161	C113	C114	H164	153.8°	60.0°
H162	C113	C114	N28	152.8°	60.0°
H162	C113	C114	H163	32.4°	60.1°
H162	C113	C114	H164	86.8°	180.0°
N28	C114	H163	H164	118.9°	119.9°
C114	N28	H165	H166	120.0°	120.1°
C114	N28	H165	H167	120.0°	119.9°
C114	N28	H166	H167	120.0°	119.9°
H163	C114	N28	H165	59.6°	59.9°
H163	C114	N28	H166	179.6°	180.0°
H163	C114	N28	H167	60.4°	60.1°
H164	C114	N28	H165	59.6°	60.0°
H164	C114	N28	H166	60.4°	60.1°
H164	C114	N28	H167	179.7°	180.0°
H165	N28	H166	H167	120.0°	120.0°
C115	N29	H168	C110	180.0°	179.8°
N29	C115	C116	C117	122.3°	118.8°
N29	C115	C116	H169	119.8°	121.2°
N29	C115	C117	H169	119.4°	120.1°
N29	C115	C116	O31	118.8°	20.1°
N29	C115	C117	S3	46.1°	85.4°
N29	C115	C117	H170	166.8°	35.0°
N29	C115	C117	H171	74.5°	154.8°
N29	C115	C116	N30	61.1°	160.0°
H168	N29	C115	C116	94.7°	68.1°
H168	N29	C115	C117	27.3°	51.3°
H168	N29	C115	H169	146.1°	170.9°
C116	C115	C117	H169	118.0°	120.2°
C115	C116	O31	N30	180.0°	180.0°
C116	C115	C117	S3	76.5°	154.9°
C116	C115	C117	H170	44.2°	84.7°
C116	C115	C117	H171	162.9°	35.1°
C115	C116	N30	C118	179.6°	180.0°
C115	C116	N30	H172	0.4°	0.0°
C116	C115	N29	C110	85.3°	112.1°
C117	C115	C116	O31	3.4°	98.8°
C115	C117	S3	H170	120.7°	119.2°
C115	C117	S3	H171	120.7°	119.2°
C115	C117	H170	H171	117.9°	119.0°
C115	C117	S3	C103	125.7°	167.6°
C117	C115	C116	N30	176.6°	81.2°
C117	C115	N29	C110	152.7°	128.4°
H169	C115	C116	O31	121.4°	141.3°
H169	C115	C117	S3	165.5°	34.7°
H169	C115	C117	H170	73.8°	155.0°
H169	C115	C117	H171	44.9°	85.2°
H169	C115	C116	N30	58.6°	38.8°
H169	C115	N29	C110	34.0°	8.9°
O31	C116	N30	C118	0.3°	0.0°
O31	C116	N30	H172	179.7°	180.0°
S3	C117	H170	H171	117.9°	121.5°
H170	C117	S3	C103	113.6°	48.4°
H171	C117	S3	C103	5.1°	73.2°
N30	C118	C119	C120	122.6°	119.9°
N30	C118	C119	H173	119.7°	120.0°
N30	C118	C120	H173	119.6°	120.0°
N30	C118	C119	O32	161.3°	121.9°
N30	C118	C120	C121	148.6°	158.7°
C118	N30	H172	C116	180.0°	180.0°
N30	C118	C120	H174	30.6°	38.6°
N30	C118	C120	S4	86.6°	81.4°
N30	C118	C119	N31	19.6°	58.2°
C119	C118	C120	H173	117.8°	120.1°
C118	C119	O32	N31	179.0°	179.9°
C119	C118	C120	C121	88.8°	81.4°
C119	C118	N30	H172	86.1°	94.9°
C119	C118	C120	H174	153.2°	158.6°
C118	C119	N31	C122	178.8°	179.8°
C118	C119	N31	H178	1.1°	0.2°
C119	C118	N30	C116	94.0°	85.0°
C119	C118	C120	S4	36.0°	38.6°
C120	C118	C119	O32	38.7°	2.0°
C118	C120	C121	H174	117.9°	120.1°
C118	C120	C121	S4	126.1°	120.0°
C120	C118	N30	H172	35.8°	25.0°
C118	C120	H174	S4	122.3°	120.0°
C118	C120	C121	H175	180.0°	69.9°
C118	C120	C121	H176	60.0°	170.1°
C118	C120	C121	H177	60.0°	50.2°
C118	C120	S4	C133	125.1°	143.7°
C120	C118	N30	C116	144.2°	155.0°
C120	C118	C119	N31	142.2°	178.1°
O32	C119	C118	H173	78.9°	118.0°
O32	C119	N31	C122	0.3°	0.1°
O32	C119	N31	H178	179.8°	179.9°
C121	C120	C118	H173	29.0°	38.7°
C121	C120	H174	S4	119.8°	120.0°
C120	C121	H175	H176	120.0°	120.0°
C120	C121	H175	H177	120.0°	120.1°
C120	C121	H176	H177	120.0°	120.0°
C121	C120	S4	C133	111.6°	23.7°
H172	N30	C118	H173	154.7°	145.0°
H173	C118	C120	H174	89.0°	81.3°
H173	C118	N30	C116	25.3°	35.0°
H173	C118	C120	S4	153.8°	158.6°
H173	C118	C119	N31	100.2°	61.8°
H174	C120	C121	H175	62.1°	170.0°
H174	C120	C121	H176	57.9°	50.1°
H174	C120	C121	H177	177.8°	69.9°
H174	C120	S4	C133	6.3°	96.2°
H175	C121	H176	H177	120.0°	120.0°
H175	C121	C120	S4	53.9°	50.1°
H176	C121	C120	S4	173.9°	69.9°
H177	C121	C120	S4	66.1°	170.1°
C122	N31	H178	C119	180.0°	179.9°
N31	C122	C123	C124	122.2°	119.7°
N31	C122	C123	H179	119.7°	119.6°
N31	C122	C124	H179	119.4°	120.6°
N31	C122	C123	O33	144.4°	53.4°
N31	C122	C124	O34	138.7°	65.0°
N31	C122	C124	H180	101.1°	174.9°
N31	C122	C124	H181	18.4°	55.0°
N31	C122	C123	N32	35.6°	126.6°
H178	N31	C122	C123	116.6°	157.9°
H178	N31	C122	C124	5.3°	82.4°
H178	N31	C122	H179	124.1°	38.3°
C123	C122	C124	H179	118.1°	120.6°
C122	C123	O33	N32	179.9°	180.0°
C123	C122	C124	O34	16.2°	53.7°
C123	C122	C124	H180	136.4°	66.3°
C123	C122	C124	H181	104.1°	173.7°
C122	C123	N32	C125	180.0°	178.9°
C122	C123	N32	H183	0.0°	1.1°
C123	C122	N31	C119	63.4°	22.1°
C124	C122	C123	O33	93.4°	173.1°
C122	C124	O34	H180	120.2°	120.0°
C122	C124	O34	H181	120.2°	120.0°
C122	C124	H180	H181	119.2°	120.0°
C122	C124	O34	H182	107.4°	180.0°
C124	C122	N31	C119	174.6°	97.5°
C124	C122	C123	N32	86.5°	6.9°
H179	C122	C123	O33	24.7°	66.2°
H179	C122	C124	O34	102.0°	174.4°
H179	C122	C124	H180	18.3°	54.3°
H179	C122	C124	H181	137.8°	65.7°
H179	C122	N31	C119	55.8°	141.7°
H179	C122	C123	N32	155.4°	113.8°
O33	C123	N32	C125	0.0°	1.1°
O33	C123	N32	H183	180.0°	178.8°
O34	C124	H180	H181	119.3°	120.0°
H180	C124	O34	H182	132.4°	60.0°
H181	C124	O34	H182	12.9°	60.0°
C125	N32	H183	C123	180.0°	179.9°
N32	C125	C126	C127	122.2°	119.7°
N32	C125	C126	H184	119.7°	119.7°
N32	C125	C127	H184	119.3°	120.4°
N32	C125	C126	O35	137.0°	95.2°
N32	C125	C127	C128	116.5°	65.0°
N32	C125	C127	H185	4.1°	55.0°
N32	C125	C127	H186	122.9°	175.0°
N32	C125	C126	N36	43.0°	84.9°
H183	N32	C125	C126	47.5°	83.9°
H183	N32	C125	C127	74.5°	35.8°
H183	N32	C125	H184	166.7°	156.3°
C126	C125	C127	H184	118.1°	120.5°
C125	C126	O35	N36	180.0°	180.0°
C126	C125	C127	C128	120.9°	175.9°
C126	C125	C127	H185	118.5°	64.1°
C126	C125	C127	H186	0.3°	55.9°
C125	C126	N36	C131	180.0°	179.5°
C125	C126	N36	H196	0.0°	0.5°
C126	C125	N32	C123	132.5°	96.2°
C127	C125	C126	O35	100.8°	24.6°
C125	C127	C128	H185	120.6°	120.0°
C125	C127	C128	H186	120.6°	120.0°
C125	C127	H185	H186	118.1°	120.0°
C125	C127	C128	C129	74.8°	180.0°
C125	C127	C128	H187	45.5°	60.0°
C125	C127	C128	H188	164.9°	60.0°
C127	C125	N32	C123	105.5°	144.1°
C127	C125	C126	N36	79.1°	155.4°
H184	C125	C126	O35	17.2°	145.1°
H184	C125	C127	C128	2.8°	55.4°
H184	C125	C127	H185	123.4°	175.4°
H184	C125	C127	H186	117.8°	64.6°
H184	C125	N32	C123	13.2°	23.6°
H184	C125	C126	N36	162.8°	34.9°
O35	C126	N36	C131	0.0°	0.5°
O35	C126	N36	H196	180.0°	179.5°
C128	C127	H185	H186	118.1°	120.0°
C127	C128	C129	H187	120.3°	120.0°
C127	C128	C129	H188	120.3°	120.0°
C127	C128	H187	H188	119.1°	120.0°
C127	C128	C129	N33	41.1°	180.0°
C127	C128	C129	H189	79.3°	60.0°
C127	C128	C129	H190	161.5°	60.0°
H185	C127	C128	C129	164.6°	60.0°
H185	C127	C128	H187	75.1°	180.0°
H185	C127	C128	H188	44.4°	60.0°
H186	C127	C128	C129	45.8°	60.0°
H186	C127	C128	H187	166.1°	60.0°
H186	C127	C128	H188	74.4°	180.0°
C129	C128	H187	H188	119.1°	120.0°
C128	C129	N33	H189	120.4°	120.0°
C128	C129	N33	H190	120.4°	120.0°
C128	C129	H189	H190	118.8°	120.0°
C128	C129	N33	C130	78.6°	180.0°
C128	C129	N33	H191	101.4°	0.0°
H187	C128	C129	N33	161.4°	60.0°
H187	C128	C129	H189	41.0°	180.0°
H187	C128	C129	H190	78.2°	60.0°
H188	C128	C129	N33	79.2°	60.0°
H188	C128	C129	H189	160.4°	60.0°
H188	C128	C129	H190	41.2°	180.0°
N33	C129	H189	H190	118.9°	120.0°
C129	N33	C130	H191	180.0°	180.0°
C129	N33	C130	N34	0.1°	0.1°
C129	N33	C130	N35	180.0°	180.0°
H189	C129	N33	C130	161.0°	60.0°
H189	C129	N33	H191	19.0°	120.0°
H190	C129	N33	C130	41.8°	60.0°
H190	C129	N33	H191	138.2°	120.0°
N33	C130	N34	N35	179.9°	179.9°
N33	C130	N34	H192	179.9°	0.1°
N33	C130	N34	H193	0.1°	180.0°
N33	C130	N35	H194	179.9°	0.0°
N33	C130	N35	H195	0.1°	180.0°
H191	N33	C130	N34	179.9°	180.0°
H191	N33	C130	N35	0.0°	0.1°
C130	N34	H192	H193	180.0°	179.9°
N34	C130	N35	H194	0.0°	180.0°
N34	C130	N35	H195	180.0°	0.1°
N35	C130	N34	H192	0.0°	180.0°
N35	C130	N34	H193	180.0°	0.1°
C130	N35	H194	H195	180.0°	180.0°
C131	N36	H196	C126	180.0°	180.0°
N36	C131	C132	C133	122.2°	118.8°
N36	C131	C132	H197	119.8°	120.6°
N36	C131	C133	H197	119.4°	119.7°
N36	C131	C132	O36	144.5°	20.0°
N36	C131	C132	O37	32.4°	160.0°
N36	C131	C133	S4	4.3°	57.2°
N36	C131	C133	H198	116.4°	62.8°
N36	C131	C133	H199	124.9°	177.3°
H196	N36	C131	C132	145.9°	82.6°
H196	N36	C131	C133	92.1°	37.1°
H196	N36	C131	H197	26.6°	156.8°
C132	C131	C133	H197	118.1°	120.6°
C131	C132	O36	O37	9.0°	180.0°
C132	C131	C133	S4	126.8°	176.9°
C132	C131	C133	H198	6.1°	56.9°
C132	C131	C133	H199	112.5°	63.1°
C131	C132	O37	H200	90.0°	180.0°
C132	C131	N36	C126	34.1°	97.4°
C133	C131	C132	O36	22.4°	98.8°
C133	C131	C132	O37	154.6°	81.2°
C131	C133	S4	H198	120.7°	120.0°
C131	C133	S4	H199	120.7°	120.0°
C131	C133	H198	H199	117.9°	120.0°
C131	C133	S4	C120	125.0°	135.4°
C133	C131	N36	C126	87.9°	142.9°
H197	C131	C132	O36	95.7°	140.5°
H197	C131	C132	O37	87.4°	39.5°
H197	C131	C133	S4	115.1°	62.5°
H197	C131	C133	H198	124.2°	177.5°
H197	C131	C133	H199	5.6°	57.5°
H197	C131	N36	C126	153.4°	23.2°
O36	C132	O37	H200	90.0°	0.0°
S4	C133	H198	H199	117.9°	120.0°
H198	C133	S4	C120	114.3°	15.4°
H199	C133	S4	C120	4.3°	104.6°

Release date:	2012-12-12
Last modified:	2023-11-03
Processing site:	PDBE