PRD_000857

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C1	sing	0.00Å	0.00Å
N1	H1	sing	0.00Å	0.00Å
N1	H2	sing	0.00Å	0.00Å
C1	C2	sing	0.00Å	0.00Å
C1	C3	sing	0.00Å	0.00Å
C1	H3	sing	0.00Å	0.00Å
C2	O1	doub	0.00Å	0.00Å
C3	C4	sing	0.00Å	0.00Å
C3	H4	sing	0.00Å	0.00Å
C3	H5	sing	0.00Å	0.00Å
C4	C5	sing	0.00Å	0.00Å
C4	H6	sing	0.00Å	0.00Å
C4	H7	sing	0.00Å	0.00Å
C5	O2	doub	0.00Å	0.00Å
C5	N2	sing	0.00Å	0.00Å
N2	H8	sing	0.00Å	0.00Å
N2	H9	sing	0.00Å	0.00Å
N3	C6	sing	0.00Å	0.00Å
N3	H10	sing	0.00Å	0.00Å
C6	C7	sing	0.00Å	0.00Å
C6	C8	sing	0.00Å	0.00Å
C6	H11	sing	0.00Å	0.00Å
C7	O3	doub	0.00Å	0.00Å
C8	O4	sing	0.00Å	0.00Å
C8	H12	sing	0.00Å	0.00Å
C8	H13	sing	0.00Å	0.00Å
O4	H14	sing	0.00Å	0.00Å
N4	C9	sing	0.00Å	0.00Å
N4	H15	sing	0.00Å	0.00Å
C9	C10	sing	0.00Å	0.00Å
C9	C11	sing	0.00Å	0.00Å
C9	H16	sing	0.00Å	0.00Å
C10	O5	doub	0.00Å	0.00Å
C11	C12	sing	0.00Å	0.00Å
C11	H17	sing	0.00Å	0.00Å
C11	H18	sing	0.00Å	0.00Å
C12	C13	sing	0.00Å	0.00Å
C12	H19	sing	0.00Å	0.00Å
C12	H20	sing	0.00Å	0.00Å
C13	O6	doub	0.00Å	0.00Å
C13	N5	sing	0.00Å	0.00Å
N5	H21	sing	0.00Å	0.00Å
N5	H22	sing	0.00Å	0.00Å
N6	C14	sing	0.00Å	0.00Å
N6	H23	sing	0.00Å	0.00Å
C14	C15	sing	0.00Å	0.00Å
C14	C16	sing	0.00Å	0.00Å
C14	H24	sing	0.00Å	0.00Å
C15	O7	doub	0.00Å	0.00Å
C16	C17	sing	0.00Å	0.00Å
C16	H25	sing	0.00Å	0.00Å
C16	H26	sing	0.00Å	0.00Å
C17	C18	sing	0.00Å	0.00Å
C17	H27	sing	0.00Å	0.00Å
C17	H28	sing	0.00Å	0.00Å
C18	O8	doub	0.00Å	0.00Å
C18	N7	sing	0.00Å	0.00Å
N7	H29	sing	0.00Å	0.00Å
N7	H30	sing	0.00Å	0.00Å
N8	C19	sing	0.00Å	1.49Å
N8	H31	sing	0.00Å	1.00Å
C19	C20	sing	0.00Å	1.53Å
C19	C21	sing	0.00Å	1.55Å
C19	H32	sing	0.00Å	1.10Å
C20	O9	doub	0.00Å	1.25Å
C21	O10	sing	0.00Å	1.44Å
C21	C22	sing	0.00Å	1.53Å
C21	H33	sing	0.00Å	1.10Å
O10	H34	sing	0.00Å	0.95Å
C22	H35	sing	0.00Å	1.10Å
C22	H36	sing	0.00Å	1.10Å
C22	H37	sing	0.00Å	1.10Å
N9	C23	sing	0.00Å	1.45Å
N9	H38	sing	0.00Å	1.00Å
C23	C24	sing	0.00Å	1.53Å
C23	C25	sing	0.00Å	1.54Å
C23	H39	sing	0.00Å	1.10Å
C24	O11	doub	0.00Å	1.24Å
C25	C26	sing	0.00Å	1.50Å
C25	H40	sing	0.00Å	1.10Å
C25	H41	sing	0.00Å	1.10Å
C26	C27	doub	0.00Å	1.39Å	Aromatic
C26	C28	sing	0.00Å	1.39Å	Aromatic
C27	C29	sing	0.00Å	1.38Å	Aromatic
C27	H42	sing	0.00Å	1.08Å
C28	C30	doub	0.00Å	1.39Å	Aromatic
C28	H43	sing	0.00Å	1.08Å
C29	C31	doub	0.00Å	1.39Å	Aromatic
C29	H44	sing	0.00Å	1.08Å
C30	C31	sing	0.00Å	1.38Å	Aromatic
C30	H45	sing	0.00Å	1.08Å
C31	H46	sing	0.00Å	1.08Å
C41	C40	sing	0.00Å	1.38Å
O12	C32	doub	0.00Å	1.24Å
C39	C40	sing	0.00Å	1.52Å
C39	C38	sing	0.00Å	1.52Å
C32	C33	sing	0.00Å	1.56Å
C34	C33	sing	0.00Å	1.54Å
C36	C37	sing	0.00Å	1.56Å
C36	C35	sing	0.00Å	1.47Å
C38	C37	sing	0.00Å	1.54Å
C33	C35	sing	0.00Å	1.54Å
C33	N10	sing	0.00Å	1.48Å
C34	H47	sing	0.00Å	1.10Å
C34	H48	sing	0.00Å	1.10Å
C34	H49	sing	0.00Å	1.10Å
C35	H50	sing	0.00Å	1.10Å
C35	H51	sing	0.00Å	1.10Å
N10	H52	sing	0.00Å	1.00Å
C36	H53	sing	0.00Å	1.10Å
C36	H54	sing	0.00Å	1.10Å
C37	H55	sing	0.00Å	1.10Å
C37	H56	sing	0.00Å	1.10Å
C38	H57	sing	0.00Å	1.10Å
C38	H58	sing	0.00Å	1.10Å
C39	H59	sing	0.00Å	1.10Å
C39	H60	sing	0.00Å	1.10Å
C40	H61	sing	0.00Å	1.10Å
C40	H62	sing	0.00Å	1.10Å
C41	H63	sing	0.00Å	1.08Å
N11	C42	sing	0.00Å	1.49Å
N11	H64	sing	0.00Å	1.00Å
C42	C43	sing	0.00Å	1.52Å
C42	C44	sing	0.00Å	1.53Å
C42	H65	sing	0.00Å	1.10Å
C43	O13	doub	0.00Å	1.23Å
C44	C45	sing	0.00Å	1.52Å
C44	H66	sing	0.00Å	1.10Å
C44	H67	sing	0.00Å	1.10Å
C45	O14	doub	0.00Å	1.23Å
C45	N12	sing	0.00Å	1.33Å
N12	H68	sing	0.00Å	1.00Å
N12	H69	sing	0.00Å	1.00Å
N13	C46	sing	0.00Å	1.45Å
N13	H70	sing	0.00Å	1.00Å
C46	C47	sing	0.00Å	1.52Å
C46	C48	sing	0.00Å	1.53Å
C46	H71	sing	0.00Å	1.10Å
C47	O15	doub	0.00Å	1.23Å
C48	C49	sing	0.00Å	1.52Å
C48	H72	sing	0.00Å	1.10Å
C48	H73	sing	0.00Å	1.10Å
C49	C50	sing	0.00Å	1.52Å
C49	C51	sing	0.00Å	1.53Å
C49	H74	sing	0.00Å	1.10Å
C50	H75	sing	0.00Å	1.10Å
C50	H76	sing	0.00Å	1.10Å
C50	H77	sing	0.00Å	1.10Å
C51	H78	sing	0.00Å	1.10Å
C51	H79	sing	0.00Å	1.10Å
C51	H80	sing	0.00Å	1.10Å
N14	C52	sing	0.00Å	1.46Å
N14	H81	sing	0.00Å	1.00Å
C52	C53	sing	0.00Å	1.53Å
C52	C54	sing	0.00Å	1.53Å
C52	H82	sing	0.00Å	1.10Å
C53	O16	doub	0.00Å	1.23Å
C54	C55	sing	0.00Å	1.50Å
C54	H83	sing	0.00Å	1.10Å
C54	H84	sing	0.00Å	1.10Å
C55	C56	doub	0.00Å	1.36Å	Aromatic
C55	C57	sing	0.00Å	1.43Å	Aromatic
C56	N15	sing	0.00Å	1.37Å	Aromatic
C56	H85	sing	0.00Å	1.08Å
C57	C58	doub	0.00Å	1.41Å	Aromatic
C57	C59	sing	0.00Å	1.40Å	Aromatic
N15	C58	sing	0.00Å	1.37Å	Aromatic
N15	H86	sing	0.00Å	1.00Å
C58	C60	sing	0.00Å	1.40Å	Aromatic
C59	C61	doub	0.00Å	1.38Å	Aromatic
C59	H87	sing	0.00Å	1.08Å
C60	C62	doub	0.00Å	1.37Å	Aromatic
C60	H88	sing	0.00Å	1.08Å
C61	C62	sing	0.00Å	1.41Å	Aromatic
C61	H89	sing	0.00Å	1.08Å
C62	H90	sing	0.00Å	1.08Å
N16	C63	sing	0.00Å	1.48Å
N16	H91	sing	0.00Å	1.00Å
C63	C64	sing	0.00Å	1.52Å
C63	C65	sing	0.00Å	1.53Å
C63	H92	sing	0.00Å	1.10Å
C64	O17	doub	0.00Å	1.23Å
C65	C66	sing	0.00Å	1.49Å
C65	H93	sing	0.00Å	1.10Å
C65	H94	sing	0.00Å	1.10Å
C66	C67	sing	0.00Å	1.53Å
C66	H95	sing	0.00Å	1.10Å
C66	H96	sing	0.00Å	1.10Å
C67	N17	sing	0.00Å	1.46Å
C67	H97	sing	0.00Å	1.10Å
C67	H98	sing	0.00Å	1.10Å
N17	C68	sing	0.00Å	1.33Å
N17	H99	sing	0.00Å	1.00Å
C68	N18	sing	0.00Å	1.33Å
C68	N19	doub	0.00Å	1.33Å
N18	H100	sing	0.00Å	1.00Å
N18	H101	sing	0.00Å	1.00Å
N19	H102	sing	0.00Å	1.00Å
N19	H103	sing	0.00Å	1.00Å
N20	C69	sing	0.00Å	1.47Å
N20	H104	sing	0.00Å	1.00Å
C69	C70	sing	0.00Å	1.52Å
C69	C71	sing	0.00Å	1.54Å
C69	H105	sing	0.00Å	1.10Å
C70	O18	doub	0.00Å	1.23Å
C71	C72	sing	0.00Å	1.53Å
C71	H106	sing	0.00Å	1.10Å
C71	H107	sing	0.00Å	1.10Å
C72	C73	sing	0.00Å	1.53Å
C72	C74	sing	0.00Å	1.52Å
C72	H108	sing	0.00Å	1.10Å
C73	H109	sing	0.00Å	1.10Å
C73	H110	sing	0.00Å	1.10Å
C73	H111	sing	0.00Å	1.10Å
C74	H112	sing	0.00Å	1.10Å
C74	H113	sing	0.00Å	1.10Å
C74	H114	sing	0.00Å	1.10Å
N21	C75	sing	0.00Å	1.46Å
N21	H115	sing	0.00Å	1.00Å
C75	C76	sing	0.00Å	1.54Å
C75	C77	sing	0.00Å	1.54Å
C75	H116	sing	0.00Å	1.10Å
C76	O19	doub	0.00Å	1.24Å
C77	C78	sing	0.00Å	1.54Å
C77	H117	sing	0.00Å	1.10Å
C77	H118	sing	0.00Å	1.10Å
C78	C79	sing	0.00Å	1.52Å
C78	C80	sing	0.00Å	1.52Å
C78	H119	sing	0.00Å	1.10Å
C79	H120	sing	0.00Å	1.10Å
C79	H121	sing	0.00Å	1.10Å
C79	H122	sing	0.00Å	1.10Å
C80	H123	sing	0.00Å	1.10Å
C80	H124	sing	0.00Å	1.10Å
C80	H125	sing	0.00Å	1.10Å
C81	C82	sing	0.00Å	1.54Å
N22	H126	sing	0.00Å	1.00Å
O20	C81	doub	0.00Å	1.23Å
C82	N22	sing	0.00Å	1.47Å
C82	C83	sing	0.00Å	1.52Å
C83	H127	sing	0.00Å	1.10Å
C83	H128	sing	0.00Å	1.10Å
C84	C86	sing	0.00Å	1.53Å
C84	H129	sing	0.00Å	1.10Å
C84	H130	sing	0.00Å	1.10Å
C85	C84	sing	0.00Å	1.38Å
C85	H131	sing	0.00Å	1.08Å
C86	C83	sing	0.00Å	1.46Å
C86	H132	sing	0.00Å	1.10Å
C86	H133	sing	0.00Å	1.10Å
C87	C82	sing	0.00Å	1.54Å
C87	H134	sing	0.00Å	1.10Å
C87	H135	sing	0.00Å	1.10Å
C87	H136	sing	0.00Å	1.10Å
N23	C88	sing	0.00Å	0.00Å
N23	H137	sing	0.00Å	0.00Å
C88	C89	sing	0.00Å	0.00Å
C88	C90	sing	0.00Å	0.00Å
C88	H138	sing	0.00Å	0.00Å
C89	O21	doub	0.00Å	0.00Å
C90	C91	sing	0.00Å	0.00Å
C90	H139	sing	0.00Å	0.00Å
C90	H140	sing	0.00Å	0.00Å
C91	C92	sing	0.00Å	0.00Å
C91	H141	sing	0.00Å	0.00Å
C91	H142	sing	0.00Å	0.00Å
C92	O22	doub	0.00Å	0.00Å
C92	N24	sing	0.00Å	0.00Å
N24	H143	sing	0.00Å	0.00Å
N24	H144	sing	0.00Å	0.00Å
N25	C93	sing	0.00Å	0.00Å
N25	H145	sing	0.00Å	0.00Å
C93	C94	sing	0.00Å	0.00Å
C93	C95	sing	0.00Å	0.00Å
C93	H146	sing	0.00Å	0.00Å
C94	O23	doub	0.00Å	0.00Å
C94	O25	sing	0.00Å	0.00Å
C95	C96	sing	0.00Å	0.00Å
C95	H147	sing	0.00Å	0.00Å
C95	H148	sing	0.00Å	0.00Å
C96	O24	doub	0.00Å	0.00Å
C96	N26	sing	0.00Å	0.00Å
N26	H149	sing	0.00Å	0.00Å
N26	H150	sing	0.00Å	0.00Å
O25	H151	sing	0.00Å	0.00Å
C2	N3	sing	0.00Å	0.00Å
C7	N4	sing	0.00Å	0.00Å
C10	N6	sing	0.00Å	0.00Å
C15	N8	sing	0.00Å	47.43Å
C20	N9	sing	0.00Å	1.33Å
C24	N10	sing	0.00Å	1.30Å
C32	N11	sing	0.00Å	1.29Å
C41	C85	doub	0.00Å	1.39Å
C43	N13	sing	0.00Å	1.33Å
C47	N14	sing	0.00Å	1.33Å
C53	N16	sing	0.00Å	1.34Å
C64	N20	sing	0.00Å	1.33Å
C70	N21	sing	0.00Å	1.33Å
C76	N22	sing	0.00Å	1.28Å
C81	N23	sing	0.00Å	42.78Å
C89	N25	sing	0.00Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	H1	90.0°	90.0°
C1	N1	H2	90.0°	90.0°
N1	C1	C2	90.0°	90.0°
N1	C1	C3	90.0°	90.0°
N1	C1	H3	90.0°	90.0°
H1	N1	H2	90.0°	90.0°
C2	C1	C3	90.0°	90.0°
C2	C1	H3	90.0°	90.0°
C1	C2	O1	90.0°	90.0°
C1	C2	N3	90.0°	90.0°
C3	C1	H3	90.0°	90.0°
C1	C3	C4	90.0°	90.0°
C1	C3	H4	90.0°	90.0°
C1	C3	H5	90.0°	90.0°
O1	C2	N3	90.0°	90.0°
C4	C3	H4	90.0°	90.0°
C4	C3	H5	90.0°	90.0°
C3	C4	C5	90.0°	90.0°
C3	C4	H6	90.0°	90.0°
C3	C4	H7	90.0°	90.0°
H4	C3	H5	90.0°	90.0°
C5	C4	H6	90.0°	90.0°
C5	C4	H7	90.0°	90.0°
C4	C5	O2	90.0°	90.0°
C4	C5	N2	90.0°	90.0°
H6	C4	H7	90.0°	90.0°
O2	C5	N2	90.0°	90.0°
C5	N2	H8	90.0°	90.0°
C5	N2	H9	90.0°	90.0°
H8	N2	H9	90.0°	90.0°
C6	N3	H10	90.0°	90.0°
N3	C6	C7	90.0°	90.0°
N3	C6	C8	90.0°	90.0°
N3	C6	H11	90.0°	90.0°
C6	N3	C2	90.0°	90.0°
H10	N3	C2	90.0°	90.0°
C7	C6	C8	90.0°	90.0°
C7	C6	H11	90.0°	90.0°
C6	C7	O3	90.0°	90.0°
C6	C7	N4	90.0°	90.0°
C8	C6	H11	90.0°	90.0°
C6	C8	O4	90.0°	90.0°
C6	C8	H12	90.0°	90.0°
C6	C8	H13	90.0°	90.0°
O3	C7	N4	90.0°	90.0°
O4	C8	H12	90.0°	90.0°
O4	C8	H13	90.0°	90.0°
C8	O4	H14	90.0°	90.0°
H12	C8	H13	90.0°	90.0°
C9	N4	H15	90.0°	90.0°
N4	C9	C10	90.0°	90.0°
N4	C9	C11	90.0°	90.0°
N4	C9	H16	90.0°	90.0°
C9	N4	C7	90.0°	90.0°
H15	N4	C7	90.0°	90.0°
C10	C9	C11	90.0°	90.0°
C10	C9	H16	90.0°	90.0°
C9	C10	O5	90.0°	90.0°
C9	C10	N6	90.0°	90.0°
C11	C9	H16	90.0°	90.0°
C9	C11	C12	90.0°	90.0°
C9	C11	H17	90.0°	90.0°
C9	C11	H18	90.0°	90.0°
O5	C10	N6	90.0°	90.0°
C12	C11	H17	90.0°	90.0°
C12	C11	H18	90.0°	90.0°
C11	C12	C13	90.0°	90.0°
C11	C12	H19	90.0°	90.0°
C11	C12	H20	90.0°	90.0°
H17	C11	H18	90.0°	90.0°
C13	C12	H19	90.0°	90.0°
C13	C12	H20	90.0°	90.0°
C12	C13	O6	90.0°	90.0°
C12	C13	N5	90.0°	90.0°
H19	C12	H20	90.0°	90.0°
O6	C13	N5	90.0°	90.0°
C13	N5	H21	90.0°	90.0°
C13	N5	H22	90.0°	90.0°
H21	N5	H22	90.0°	90.0°
C14	N6	H23	90.0°	90.0°
N6	C14	C15	90.0°	90.0°
N6	C14	C16	90.0°	90.0°
N6	C14	H24	90.0°	90.0°
C14	N6	C10	90.0°	90.0°
H23	N6	C10	90.0°	90.0°
C15	C14	C16	90.0°	90.0°
C15	C14	H24	90.0°	90.0°
C14	C15	O7	90.0°	90.0°
C14	C15	N8	90.0°	90.0°
C16	C14	H24	90.0°	90.0°
C14	C16	C17	90.0°	90.0°
C14	C16	H25	90.0°	90.0°
C14	C16	H26	90.0°	90.0°
O7	C15	N8	90.0°	90.0°
C17	C16	H25	90.0°	90.0°
C17	C16	H26	90.0°	90.0°
C16	C17	C18	90.0°	90.0°
C16	C17	H27	90.0°	90.0°
C16	C17	H28	90.0°	90.0°
H25	C16	H26	90.0°	90.0°
C18	C17	H27	90.0°	90.0°
C18	C17	H28	90.0°	90.0°
C17	C18	O8	90.0°	90.0°
C17	C18	N7	90.0°	90.0°
H27	C17	H28	90.0°	90.0°
O8	C18	N7	90.0°	90.0°
C18	N7	H29	90.0°	90.0°
C18	N7	H30	90.0°	90.0°
H29	N7	H30	90.0°	90.0°
C19	N8	H31	159.6°	90.0°
N8	C19	C20	108.5°	90.0°
N8	C19	C21	112.4°	90.0°
N8	C19	H32	108.8°	90.0°
C19	N8	C15	40.8°	90.0°
H31	N8	C15	159.6°	90.0°
C20	C19	C21	110.8°	90.0°
C20	C19	H32	108.3°	90.0°
C19	C20	O9	120.2°	90.0°
C19	C20	N9	116.9°	90.0°
C21	C19	H32	108.0°	90.0°
C19	C21	O10	111.1°	90.0°
C19	C21	C22	110.1°	90.0°
C19	C21	H33	107.9°	90.0°
O9	C20	N9	122.9°	90.0°
O10	C21	C22	110.0°	90.0°
O10	C21	H33	109.4°	90.0°
C21	O10	H34	109.5°	90.0°
C22	C21	H33	108.2°	90.0°
C21	C22	H35	109.5°	90.0°
C21	C22	H36	109.5°	90.0°
C21	C22	H37	109.5°	90.0°
H35	C22	H36	109.5°	90.0°
H35	C22	H37	109.5°	90.0°
H36	C22	H37	109.5°	90.0°
C23	N9	H38	119.9°	90.0°
N9	C23	C24	109.9°	90.0°
N9	C23	C25	114.0°	90.0°
N9	C23	H39	108.6°	90.0°
C23	N9	C20	120.1°	90.0°
H38	N9	C20	120.0°	90.0°
C24	C23	C25	109.2°	90.0°
C24	C23	H39	107.6°	90.0°
C23	C24	O11	118.9°	90.0°
C23	C24	N10	118.6°	90.0°
C25	C23	H39	107.4°	90.0°
C23	C25	C26	112.2°	90.0°
C23	C25	H40	108.8°	90.0°
C23	C25	H41	108.8°	90.0°
O11	C24	N10	122.4°	90.0°
C26	C25	H40	108.8°	90.0°
C26	C25	H41	108.8°	90.0°
C25	C26	C27	120.3°	90.0°
C25	C26	C28	120.6°	90.0°
H40	C25	H41	109.5°	90.0°
C27	C26	C28	118.8°	90.0°
C26	C27	C29	120.8°	90.0°
C26	C27	H42	119.6°	90.0°
C26	C28	C30	120.7°	90.0°
C26	C28	H43	119.7°	90.0°
C29	C27	H42	119.6°	90.0°
C27	C29	C31	120.1°	90.0°
C27	C29	H44	119.9°	90.0°
C30	C28	H43	119.6°	90.0°
C28	C30	C31	119.7°	90.0°
C28	C30	H45	120.1°	90.0°
C31	C29	H44	120.0°	90.0°
C29	C31	C30	119.8°	90.0°
C29	C31	H46	120.1°	90.0°
C31	C30	H45	120.1°	90.0°
C30	C31	H46	120.1°	90.0°
C41	C40	C39	111.1°	90.0°
C41	C40	H61	109.1°	90.0°
C41	C40	H62	109.1°	90.0°
C40	C41	H63	120.5°	90.0°
C40	C41	C85	119.1°	90.0°
O12	C32	C33	121.1°	90.0°
O12	C32	N11	112.2°	90.0°
C40	C39	C38	112.6°	90.0°
C40	C39	H59	108.7°	90.0°
C40	C39	H60	108.7°	90.0°
C39	C40	H61	109.1°	90.0°
C39	C40	H62	109.1°	90.0°
C39	C38	C37	111.9°	90.0°
C39	C38	H57	108.8°	90.0°
C39	C38	H58	108.9°	90.0°
C38	C39	H59	108.7°	90.0°
C38	C39	H60	108.7°	90.0°
C32	C33	C34	110.1°	90.0°
C32	C33	C35	111.2°	90.0°
C32	C33	N10	107.8°	90.0°
C33	C32	N11	124.4°	90.0°
C34	C33	C35	108.4°	90.0°
C34	C33	N10	109.0°	90.0°
C33	C34	H47	109.5°	90.0°
C33	C34	H48	109.4°	90.0°
C33	C34	H49	109.4°	90.0°
C37	C36	C35	111.2°	90.0°
C36	C37	C38	111.7°	90.0°
C37	C36	H53	109.1°	90.0°
C37	C36	H54	109.1°	90.0°
C36	C37	H55	108.9°	90.0°
C36	C37	H56	108.9°	90.0°
C36	C35	C33	128.2°	90.0°
C36	C35	H50	104.6°	90.0°
C36	C35	H51	104.6°	90.0°
C35	C36	H53	109.0°	90.0°
C35	C36	H54	109.0°	90.0°
C38	C37	H55	108.9°	90.0°
C38	C37	H56	108.9°	90.0°
C37	C38	H57	108.9°	90.0°
C37	C38	H58	108.9°	90.0°
C35	C33	N10	110.3°	90.0°
C33	C35	H50	104.6°	90.0°
C33	C35	H51	104.6°	90.0°
C33	N10	H52	114.3°	90.0°
C33	N10	C24	131.4°	90.0°
H47	C34	H48	109.5°	90.0°
H47	C34	H49	109.5°	90.0°
H48	C34	H49	109.5°	90.0°
H50	C35	H51	109.5°	90.0°
H52	N10	C24	114.3°	90.0°
H53	C36	H54	109.5°	90.0°
H55	C37	H56	109.5°	90.0°
H57	C38	H58	109.4°	90.0°
H59	C39	H60	109.4°	90.0°
H61	C40	H62	109.4°	90.0°
H63	C41	C85	120.5°	90.0°
C42	N11	H64	116.4°	90.0°
N11	C42	C43	112.9°	90.0°
N11	C42	C44	110.6°	90.0°
N11	C42	H65	107.5°	90.0°
C42	N11	C32	127.3°	90.0°
H64	N11	C32	116.4°	90.0°
C43	C42	C44	111.4°	90.0°
C43	C42	H65	107.1°	90.0°
C42	C43	O13	120.2°	90.0°
C42	C43	N13	116.9°	90.0°
C44	C42	H65	107.0°	90.0°
C42	C44	C45	112.4°	90.0°
C42	C44	H66	108.7°	90.0°
C42	C44	H67	108.7°	90.0°
O13	C43	N13	122.8°	90.0°
C45	C44	H66	108.7°	90.0°
C45	C44	H67	108.8°	90.0°
C44	C45	O14	121.0°	90.0°
C44	C45	N12	116.5°	90.0°
H66	C44	H67	109.5°	90.0°
O14	C45	N12	122.6°	90.0°
C45	N12	H68	120.0°	90.0°
C45	N12	H69	120.0°	90.0°
H68	N12	H69	120.0°	90.0°
C46	N13	H70	119.6°	90.0°
N13	C46	C47	109.8°	90.0°
N13	C46	C48	111.3°	90.0°
N13	C46	H71	108.9°	90.0°
C46	N13	C43	120.8°	90.0°
H70	N13	C43	119.6°	90.0°
C47	C46	C48	110.8°	90.0°
C47	C46	H71	108.1°	90.0°
C46	C47	O15	120.2°	90.0°
C46	C47	N14	116.7°	90.0°
C48	C46	H71	107.9°	90.0°
C46	C48	C49	112.5°	90.0°
C46	C48	H72	108.7°	90.0°
C46	C48	H73	108.7°	90.0°
O15	C47	N14	123.0°	90.0°
C49	C48	H72	108.7°	90.0°
C49	C48	H73	108.7°	90.0°
C48	C49	C50	110.1°	90.0°
C48	C49	C51	111.1°	90.0°
C48	C49	H74	108.0°	90.0°
H72	C48	H73	109.5°	90.0°
C50	C49	C51	111.5°	90.0°
C50	C49	H74	108.0°	90.0°
C49	C50	H75	109.5°	90.0°
C49	C50	H76	109.5°	90.0°
C49	C50	H77	109.5°	90.0°
C51	C49	H74	107.9°	90.0°
C49	C51	H78	109.5°	90.0°
C49	C51	H79	109.4°	90.0°
C49	C51	H80	109.5°	90.0°
H75	C50	H76	109.5°	90.0°
H75	C50	H77	109.4°	90.0°
H76	C50	H77	109.4°	90.0°
H78	C51	H79	109.5°	90.0°
H78	C51	H80	109.4°	90.0°
H79	C51	H80	109.5°	90.0°
C52	N14	H81	119.6°	90.0°
N14	C52	C53	111.4°	90.0°
N14	C52	C54	111.1°	90.0°
N14	C52	H82	108.4°	90.0°
C52	N14	C47	120.8°	90.0°
H81	N14	C47	119.6°	90.0°
C53	C52	C54	110.8°	90.0°
C53	C52	H82	107.5°	90.0°
C52	C53	O16	120.0°	90.0°
C52	C53	N16	116.8°	90.0°
C54	C52	H82	107.6°	90.0°
C52	C54	C55	113.0°	90.0°
C52	C54	H83	108.6°	90.0°
C52	C54	H84	108.6°	90.0°
O16	C53	N16	123.1°	90.0°
C55	C54	H83	108.6°	90.0°
C55	C54	H84	108.6°	90.0°
C54	C55	C56	127.1°	90.0°
C54	C55	C57	126.6°	90.0°
H83	C54	H84	109.5°	90.0°
C56	C55	C57	106.2°	90.0°
C55	C56	N15	110.4°	90.0°
C55	C56	H85	124.8°	90.0°
C55	C57	C58	107.2°	90.0°
C55	C57	C59	133.8°	90.0°
N15	C56	H85	124.8°	90.0°
C56	N15	C58	108.9°	90.0°
C56	N15	H86	125.6°	90.0°
C58	C57	C59	119.0°	90.0°
C57	C58	N15	107.3°	90.0°
C57	C58	C60	122.4°	90.0°
C57	C59	C61	118.8°	90.0°
C57	C59	H87	120.6°	90.0°
C58	N15	H86	125.5°	90.0°
N15	C58	C60	130.2°	90.0°
C58	C60	C62	117.4°	90.0°
C58	C60	H88	121.3°	90.0°
C61	C59	H87	120.6°	90.0°
C59	C61	C62	121.0°	90.0°
C59	C61	H89	119.5°	90.0°
C62	C60	H88	121.3°	90.0°
C60	C62	C61	121.4°	90.0°
C60	C62	H90	119.3°	90.0°
C62	C61	H89	119.5°	90.0°
C61	C62	H90	119.3°	90.0°
C63	N16	H91	119.1°	90.0°
N16	C63	C64	111.7°	90.0°
N16	C63	C65	111.1°	90.0°
N16	C63	H92	108.8°	90.0°
C63	N16	C53	121.7°	90.0°
H91	N16	C53	119.2°	90.0°
C64	C63	C65	108.6°	90.0°
C64	C63	H92	108.3°	90.0°
C63	C64	O17	120.2°	90.0°
C63	C64	N20	116.1°	90.0°
C65	C63	H92	108.2°	90.0°
C63	C65	C66	113.5°	90.0°
C63	C65	H93	108.5°	90.0°
C63	C65	H94	108.4°	90.0°
O17	C64	N20	123.7°	90.0°
C66	C65	H93	108.5°	90.0°
C66	C65	H94	108.5°	90.0°
C65	C66	C67	112.0°	90.0°
C65	C66	H95	108.8°	90.0°
C65	C66	H96	108.8°	90.0°
H93	C65	H94	109.5°	90.0°
C67	C66	H95	108.8°	90.0°
C67	C66	H96	108.8°	90.0°
C66	C67	N17	107.9°	90.0°
C66	C67	H97	109.9°	90.0°
C66	C67	H98	109.9°	90.0°
H95	C66	H96	109.5°	90.0°
N17	C67	H97	109.9°	90.0°
N17	C67	H98	109.9°	90.0°
C67	N17	C68	126.5°	90.0°
C67	N17	H99	116.8°	90.0°
H97	C67	H98	109.5°	90.0°
C68	N17	H99	116.8°	90.0°
N17	C68	N18	121.9°	90.0°
N17	C68	N19	118.7°	90.0°
N18	C68	N19	119.4°	90.0°
C68	N18	H100	120.0°	90.0°
C68	N18	H101	120.0°	90.0°
C68	N19	H102	120.0°	90.0°
C68	N19	H103	120.0°	90.0°
H100	N18	H101	120.0°	90.0°
H102	N19	H103	120.0°	90.0°
C69	N20	H104	118.6°	90.0°
N20	C69	C70	111.7°	90.0°
N20	C69	C71	111.2°	90.0°
N20	C69	H105	108.4°	90.0°
C69	N20	C64	122.7°	90.0°
H104	N20	C64	118.7°	90.0°
C70	C69	C71	110.1°	90.0°
C70	C69	H105	107.7°	90.0°
C69	C70	O18	120.4°	90.0°
C69	C70	N21	116.7°	90.0°
C71	C69	H105	107.5°	90.0°
C69	C71	C72	116.3°	90.0°
C69	C71	H106	107.7°	90.0°
C69	C71	H107	107.7°	90.0°
O18	C70	N21	122.9°	90.0°
C72	C71	H106	107.7°	90.0°
C72	C71	H107	107.7°	90.0°
C71	C72	C73	111.4°	90.0°
C71	C72	C74	109.7°	90.0°
C71	C72	H108	108.2°	90.0°
H106	C71	H107	109.5°	90.0°
C73	C72	C74	110.9°	90.0°
C73	C72	H108	108.2°	90.0°
C72	C73	H109	109.5°	90.0°
C72	C73	H110	109.5°	90.0°
C72	C73	H111	109.5°	90.0°
C74	C72	H108	108.3°	90.0°
C72	C74	H112	109.5°	90.0°
C72	C74	H113	109.4°	90.0°
C72	C74	H114	109.4°	90.0°
H109	C73	H110	109.5°	90.0°
H109	C73	H111	109.4°	90.0°
H110	C73	H111	109.4°	90.0°
H112	C74	H113	109.5°	90.0°
H112	C74	H114	109.5°	90.0°
H113	C74	H114	109.5°	90.0°
C75	N21	H115	119.2°	90.0°
N21	C75	C76	110.4°	90.0°
N21	C75	C77	110.6°	90.0°
N21	C75	H116	109.0°	90.0°
C75	N21	C70	121.7°	90.0°
H115	N21	C70	119.2°	90.0°
C76	C75	C77	110.7°	90.0°
C76	C75	H116	108.1°	90.0°
C75	C76	O19	120.0°	90.0°
C75	C76	N22	125.6°	90.0°
C77	C75	H116	108.0°	90.0°
C75	C77	C78	120.5°	90.0°
C75	C77	H117	106.6°	90.0°
C75	C77	H118	106.7°	90.0°
O19	C76	N22	114.3°	90.0°
C78	C77	H117	106.7°	90.0°
C78	C77	H118	106.6°	90.0°
C77	C78	C79	112.4°	90.0°
C77	C78	C80	111.8°	90.0°
C77	C78	H119	107.1°	90.0°
H117	C77	H118	109.5°	90.0°
C79	C78	C80	110.6°	90.0°
C79	C78	H119	107.3°	90.0°
C78	C79	H120	109.5°	90.0°
C78	C79	H121	109.5°	90.0°
C78	C79	H122	109.5°	90.0°
C80	C78	H119	107.4°	90.0°
C78	C80	H123	109.5°	90.0°
C78	C80	H124	109.5°	90.0°
C78	C80	H125	109.5°	90.0°
H120	C79	H121	109.5°	90.0°
H120	C79	H122	109.4°	90.0°
H121	C79	H122	109.5°	90.0°
H123	C80	H124	109.5°	90.0°
H123	C80	H125	109.5°	90.0°
H124	C80	H125	109.5°	90.0°
C82	C81	O20	121.7°	90.0°
C81	C82	N22	109.3°	90.0°
C81	C82	C83	108.1°	90.0°
C81	C82	C87	110.1°	90.0°
C82	C81	N23	32.1°	90.0°
H126	N22	C82	110.5°	90.0°
H126	N22	C76	110.4°	90.0°
O20	C81	N23	97.3°	90.0°
N22	C82	C83	109.1°	90.0°
N22	C82	C87	108.9°	90.0°
C82	N22	C76	139.1°	90.0°
C82	C83	H127	103.0°	90.0°
C82	C83	H128	102.9°	90.0°
C82	C83	C86	134.3°	90.0°
C83	C82	C87	111.2°	90.0°
H127	C83	H128	109.4°	90.0°
H127	C83	C86	102.9°	90.0°
H128	C83	C86	103.0°	90.0°
C86	C84	H129	109.1°	90.0°
C86	C84	H130	109.1°	90.0°
C86	C84	C85	110.8°	90.0°
C84	C86	C83	135.7°	90.0°
C84	C86	H132	102.6°	90.0°
C84	C86	H133	102.6°	90.0°
H129	C84	H130	109.5°	90.0°
H129	C84	C85	109.2°	90.0°
H130	C84	C85	109.1°	90.0°
C84	C85	H131	120.6°	90.0°
C84	C85	C41	118.8°	90.0°
H131	C85	C41	120.6°	90.0°
C83	C86	H132	102.6°	90.0°
C83	C86	H133	102.6°	90.0°
H132	C86	H133	109.4°	90.0°
C82	C87	H134	109.5°	90.0°
C82	C87	H135	109.5°	90.0°
C82	C87	H136	109.5°	90.0°
H134	C87	H135	109.5°	90.0°
H134	C87	H136	109.5°	90.0°
H135	C87	H136	109.4°	90.0°
C88	N23	H137	90.0°	90.0°
N23	C88	C89	90.0°	90.0°
N23	C88	C90	90.0°	90.0°
N23	C88	H138	90.0°	90.0°
C88	N23	C81	90.0°	90.0°
H137	N23	C81	90.0°	90.0°
C89	C88	C90	90.0°	90.0°
C89	C88	H138	90.0°	90.0°
C88	C89	O21	90.0°	90.0°
C88	C89	N25	90.0°	90.0°
C90	C88	H138	90.0°	90.0°
C88	C90	C91	90.0°	90.0°
C88	C90	H139	90.0°	90.0°
C88	C90	H140	90.0°	90.0°
O21	C89	N25	90.0°	90.0°
C91	C90	H139	90.0°	90.0°
C91	C90	H140	90.0°	90.0°
C90	C91	C92	90.0°	90.0°
C90	C91	H141	90.0°	90.0°
C90	C91	H142	90.0°	90.0°
H139	C90	H140	90.0°	90.0°
C92	C91	H141	90.0°	90.0°
C92	C91	H142	90.0°	90.0°
C91	C92	O22	90.0°	90.0°
C91	C92	N24	90.0°	90.0°
H141	C91	H142	90.0°	90.0°
O22	C92	N24	90.0°	90.0°
C92	N24	H143	90.0°	90.0°
C92	N24	H144	90.0°	90.0°
H143	N24	H144	90.0°	90.0°
C93	N25	H145	90.0°	90.0°
N25	C93	C94	90.0°	90.0°
N25	C93	C95	90.0°	90.0°
N25	C93	H146	90.0°	90.0°
C93	N25	C89	90.0°	90.0°
H145	N25	C89	90.0°	90.0°
C94	C93	C95	90.0°	90.0°
C94	C93	H146	90.0°	90.0°
C93	C94	O23	90.0°	90.0°
C93	C94	O25	90.0°	90.0°
C95	C93	H146	90.0°	90.0°
C93	C95	C96	90.0°	90.0°
C93	C95	H147	90.0°	90.0°
C93	C95	H148	90.0°	90.0°
O23	C94	O25	90.0°	90.0°
C94	O25	H151	90.0°	90.0°
C96	C95	H147	90.0°	90.0°
C96	C95	H148	90.0°	90.0°
C95	C96	O24	90.0°	90.0°
C95	C96	N26	90.0°	90.0°
H147	C95	H148	90.0°	90.0°
O24	C96	N26	90.0°	90.0°
C96	N26	H149	90.0°	90.0°
C96	N26	H150	90.0°	90.0°
H149	N26	H150	90.0°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	H1	H2	90.0°	90.0°
N1	C1	C2	C3	90.0°	90.0°
N1	C1	C2	H3	90.0°	90.0°
N1	C1	C3	H3	90.0°	90.0°
N1	C1	C2	O1	90.0°	90.0°
N1	C1	C3	C4	90.0°	90.0°
N1	C1	C3	H4	90.0°	90.0°
N1	C1	C3	H5	90.0°	90.0°
N1	C1	C2	N3	90.0°	90.0°
H1	N1	C1	C2	90.0°	90.0°
H1	N1	C1	C3	90.0°	90.0°
H1	N1	C1	H3	90.0°	90.0°
H2	N1	C1	C2	90.0°	90.0°
H2	N1	C1	C3	90.0°	90.0°
H2	N1	C1	H3	90.0°	90.0°
C2	C1	C3	H3	90.0°	90.0°
C1	C2	O1	N3	90.0°	90.0°
C2	C1	C3	C4	90.0°	90.0°
C2	C1	C3	H4	90.0°	90.0°
C2	C1	C3	H5	90.0°	90.0°
C1	C2	N3	C6	90.0°	90.0°
C1	C2	N3	H10	90.0°	90.0°
C3	C1	C2	O1	90.0°	90.0°
C1	C3	C4	H4	90.0°	90.0°
C1	C3	C4	H5	90.0°	90.0°
C1	C3	H4	H5	90.0°	90.0°
C1	C3	C4	C5	90.0°	90.0°
C1	C3	C4	H6	90.0°	90.0°
C1	C3	C4	H7	90.0°	90.0°
C3	C1	C2	N3	90.0°	90.0°
H3	C1	C2	O1	90.0°	90.0°
H3	C1	C3	C4	90.0°	90.0°
H3	C1	C3	H4	90.0°	90.0°
H3	C1	C3	H5	90.0°	90.0°
H3	C1	C2	N3	90.0°	90.0°
O1	C2	N3	C6	90.0°	90.0°
O1	C2	N3	H10	90.0°	90.0°
C4	C3	H4	H5	90.0°	90.0°
C3	C4	C5	H6	90.0°	90.0°
C3	C4	C5	H7	90.0°	90.0°
C3	C4	H6	H7	90.0°	90.0°
C3	C4	C5	O2	90.0°	90.0°
C3	C4	C5	N2	90.0°	90.0°
H4	C3	C4	C5	90.0°	90.0°
H4	C3	C4	H6	90.0°	90.0°
H4	C3	C4	H7	90.0°	90.0°
H5	C3	C4	C5	90.0°	90.0°
H5	C3	C4	H6	90.0°	90.0°
H5	C3	C4	H7	90.0°	90.0°
C5	C4	H6	H7	90.0°	90.0°
C4	C5	O2	N2	90.0°	90.0°
C4	C5	N2	H8	90.0°	90.0°
C4	C5	N2	H9	90.0°	90.0°
H6	C4	C5	O2	90.0°	90.0°
H6	C4	C5	N2	90.0°	90.0°
H7	C4	C5	O2	90.0°	90.0°
H7	C4	C5	N2	90.0°	90.0°
O2	C5	N2	H8	90.0°	90.0°
O2	C5	N2	H9	90.0°	90.0°
C5	N2	H8	H9	90.0°	90.0°
C6	N3	H10	C2	90.0°	90.0°
N3	C6	C7	C8	90.0°	90.0°
N3	C6	C7	H11	90.0°	90.0°
N3	C6	C8	H11	90.0°	90.0°
N3	C6	C7	O3	90.0°	90.0°
N3	C6	C8	O4	90.0°	90.0°
N3	C6	C8	H12	90.0°	90.0°
N3	C6	C8	H13	90.0°	90.0°
N3	C6	C7	N4	90.0°	90.0°
H10	N3	C6	C7	90.0°	90.0°
H10	N3	C6	C8	90.0°	90.0°
H10	N3	C6	H11	90.0°	90.0°
C7	C6	C8	H11	90.0°	90.0°
C6	C7	O3	N4	90.0°	90.0°
C7	C6	C8	O4	90.0°	90.0°
C7	C6	C8	H12	90.0°	90.0°
C7	C6	C8	H13	90.0°	90.0°
C6	C7	N4	C9	90.0°	90.0°
C6	C7	N4	H15	90.0°	90.0°
C7	C6	N3	C2	90.0°	90.0°
C8	C6	C7	O3	90.0°	90.0°
C6	C8	O4	H12	90.0°	90.0°
C6	C8	O4	H13	90.0°	90.0°
C6	C8	H12	H13	90.0°	90.0°
C6	C8	O4	H14	90.0°	90.0°
C8	C6	N3	C2	90.0°	90.0°
C8	C6	C7	N4	90.0°	90.0°
H11	C6	C7	O3	90.0°	90.0°
H11	C6	C8	O4	90.0°	90.0°
H11	C6	C8	H12	90.0°	90.0°
H11	C6	C8	H13	90.0°	90.0°
H11	C6	N3	C2	90.0°	90.0°
H11	C6	C7	N4	90.0°	90.0°
O3	C7	N4	C9	90.0°	90.0°
O3	C7	N4	H15	90.0°	90.0°
O4	C8	H12	H13	90.0°	90.0°
H12	C8	O4	H14	90.0°	90.0°
H13	C8	O4	H14	90.0°	90.0°
C9	N4	H15	C7	90.0°	90.0°
N4	C9	C10	C11	90.0°	90.0°
N4	C9	C10	H16	90.0°	90.0°
N4	C9	C11	H16	90.0°	90.0°
N4	C9	C10	O5	90.0°	90.0°
N4	C9	C11	C12	90.0°	90.0°
N4	C9	C11	H17	90.0°	90.0°
N4	C9	C11	H18	90.0°	90.0°
N4	C9	C10	N6	90.0°	90.0°
H15	N4	C9	C10	90.0°	90.0°
H15	N4	C9	C11	90.0°	90.0°
H15	N4	C9	H16	90.0°	90.0°
C10	C9	C11	H16	90.0°	90.0°
C9	C10	O5	N6	90.0°	90.0°
C10	C9	C11	C12	90.0°	90.0°
C10	C9	C11	H17	90.0°	90.0°
C10	C9	C11	H18	90.0°	90.0°
C9	C10	N6	C14	90.0°	90.0°
C9	C10	N6	H23	90.0°	90.0°
C10	C9	N4	C7	90.0°	90.0°
C11	C9	C10	O5	90.0°	90.0°
C9	C11	C12	H17	90.0°	90.0°
C9	C11	C12	H18	90.0°	90.0°
C9	C11	H17	H18	90.0°	90.0°
C9	C11	C12	C13	90.0°	90.0°
C9	C11	C12	H19	90.0°	90.0°
C9	C11	C12	H20	90.0°	90.0°
C11	C9	N4	C7	90.0°	90.0°
C11	C9	C10	N6	90.0°	90.0°
H16	C9	C10	O5	90.0°	90.0°
H16	C9	C11	C12	90.0°	90.0°
H16	C9	C11	H17	90.0°	90.0°
H16	C9	C11	H18	90.0°	90.0°
H16	C9	N4	C7	90.0°	90.0°
H16	C9	C10	N6	90.0°	90.0°
O5	C10	N6	C14	90.0°	90.0°
O5	C10	N6	H23	90.0°	90.0°
C12	C11	H17	H18	90.0°	90.0°
C11	C12	C13	H19	90.0°	90.0°
C11	C12	C13	H20	90.0°	90.0°
C11	C12	H19	H20	90.0°	90.0°
C11	C12	C13	O6	90.0°	90.0°
C11	C12	C13	N5	90.0°	90.0°
H17	C11	C12	C13	90.0°	90.0°
H17	C11	C12	H19	90.0°	90.0°
H17	C11	C12	H20	90.0°	90.0°
H18	C11	C12	C13	90.0°	90.0°
H18	C11	C12	H19	90.0°	90.0°
H18	C11	C12	H20	90.0°	90.0°
C13	C12	H19	H20	90.0°	90.0°
C12	C13	O6	N5	90.0°	90.0°
C12	C13	N5	H21	90.0°	90.0°
C12	C13	N5	H22	90.0°	90.0°
H19	C12	C13	O6	90.0°	90.0°
H19	C12	C13	N5	90.0°	90.0°
H20	C12	C13	O6	90.0°	90.0°
H20	C12	C13	N5	90.0°	90.0°
O6	C13	N5	H21	90.0°	90.0°
O6	C13	N5	H22	90.0°	90.0°
C13	N5	H21	H22	90.0°	90.0°
C14	N6	H23	C10	90.0°	90.0°
N6	C14	C15	C16	90.0°	90.0°
N6	C14	C15	H24	90.0°	90.0°
N6	C14	C16	H24	90.0°	90.0°
N6	C14	C15	O7	90.0°	90.0°
N6	C14	C16	C17	90.0°	90.0°
N6	C14	C16	H25	90.0°	90.0°
N6	C14	C16	H26	90.0°	90.0°
N6	C14	C15	N8	90.0°	90.0°
H23	N6	C14	C15	90.0°	90.0°
H23	N6	C14	C16	90.0°	90.0°
H23	N6	C14	H24	90.0°	90.0°
C15	C14	C16	H24	90.0°	90.0°
C14	C15	O7	N8	90.0°	90.0°
C15	C14	C16	C17	90.0°	90.0°
C15	C14	C16	H25	90.0°	90.0°
C15	C14	C16	H26	90.0°	90.0°
C14	C15	N8	C19	90.0°	90.0°
C14	C15	N8	H31	90.0°	90.0°
C15	C14	N6	C10	90.0°	90.0°
C16	C14	C15	O7	90.0°	90.0°
C14	C16	C17	H25	90.0°	90.0°
C14	C16	C17	H26	90.0°	90.0°
C14	C16	H25	H26	90.0°	90.0°
C14	C16	C17	C18	90.0°	90.0°
C14	C16	C17	H27	90.0°	90.0°
C14	C16	C17	H28	90.0°	90.0°
C16	C14	N6	C10	90.0°	90.0°
C16	C14	C15	N8	90.0°	90.0°
H24	C14	C15	O7	90.0°	90.0°
H24	C14	C16	C17	90.0°	90.0°
H24	C14	C16	H25	90.0°	90.0°
H24	C14	C16	H26	90.0°	90.0°
H24	C14	N6	C10	90.0°	90.0°
H24	C14	C15	N8	90.0°	90.0°
O7	C15	N8	C19	90.0°	90.0°
O7	C15	N8	H31	90.0°	90.0°
C17	C16	H25	H26	90.0°	90.0°
C16	C17	C18	H27	90.0°	90.0°
C16	C17	C18	H28	90.0°	90.0°
C16	C17	H27	H28	90.0°	90.0°
C16	C17	C18	O8	90.0°	90.0°
C16	C17	C18	N7	90.0°	90.0°
H25	C16	C17	C18	90.0°	90.0°
H25	C16	C17	H27	90.0°	90.0°
H25	C16	C17	H28	90.0°	90.0°
H26	C16	C17	C18	90.0°	90.0°
H26	C16	C17	H27	90.0°	90.0°
H26	C16	C17	H28	90.0°	90.0°
C18	C17	H27	H28	90.0°	90.0°
C17	C18	O8	N7	90.0°	90.0°
C17	C18	N7	H29	90.0°	90.0°
C17	C18	N7	H30	90.0°	90.0°
H27	C17	C18	O8	90.0°	90.0°
H27	C17	C18	N7	90.0°	90.0°
H28	C17	C18	O8	90.0°	90.0°
H28	C17	C18	N7	90.0°	90.0°
O8	C18	N7	H29	90.0°	90.0°
O8	C18	N7	H30	90.0°	90.0°
C18	N7	H29	H30	90.0°	90.0°
C19	N8	H31	C15	179.9°	90.0°
N8	C19	C20	C21	123.8°	90.0°
N8	C19	C20	H32	117.9°	90.0°
N8	C19	C21	H32	120.0°	90.0°
N8	C19	C20	O9	26.7°	90.0°
N8	C19	C21	O10	70.7°	90.0°
N8	C19	C21	C22	51.5°	90.0°
N8	C19	C21	H33	169.4°	90.0°
N8	C19	C20	N9	152.8°	90.0°
H31	N8	C19	C20	160.7°	90.0°
H31	N8	C19	C21	37.9°	90.0°
H31	N8	C19	H32	81.6°	90.0°
C20	C19	C21	H32	118.5°	90.0°
C19	C20	O9	N9	179.5°	90.0°
C20	C19	C21	O10	50.9°	90.0°
C20	C19	C21	C22	173.0°	90.0°
C20	C19	C21	H33	69.1°	90.0°
C19	C20	N9	C23	178.6°	90.0°
C19	C20	N9	H38	1.4°	90.0°
C20	C19	N8	C15	19.3°	90.0°
C21	C19	C20	O9	97.1°	90.0°
C19	C21	O10	C22	122.2°	90.0°
C19	C21	O10	H33	119.1°	90.0°
C19	C21	C22	H33	117.7°	90.0°
C19	C21	O10	H34	180.0°	90.0°
C19	C21	C22	H35	180.0°	90.0°
C19	C21	C22	H36	60.0°	90.0°
C19	C21	C22	H37	60.0°	90.0°
C21	C19	N8	C15	142.2°	90.0°
C21	C19	C20	N9	83.4°	90.0°
H32	C19	C20	O9	144.6°	90.0°
H32	C19	C21	O10	169.4°	90.0°
H32	C19	C21	C22	68.5°	90.0°
H32	C19	C21	H33	49.4°	90.0°
H32	C19	N8	C15	98.3°	90.0°
H32	C19	C20	N9	34.9°	90.0°
O9	C20	N9	C23	0.9°	90.0°
O9	C20	N9	H38	179.1°	90.0°
O10	C21	C22	H33	119.5°	90.0°
O10	C21	C22	H35	57.2°	90.0°
O10	C21	C22	H36	177.2°	90.0°
O10	C21	C22	H37	62.8°	90.0°
C22	C21	O10	H34	57.8°	90.0°
C21	C22	H35	H36	120.0°	90.0°
C21	C22	H35	H37	120.0°	90.0°
C21	C22	H36	H37	120.0°	90.0°
H33	C21	O10	H34	60.9°	90.0°
H33	C21	C22	H35	62.3°	90.0°
H33	C21	C22	H36	57.7°	90.0°
H33	C21	C22	H37	177.7°	90.0°
H35	C22	H36	H37	120.0°	90.0°
C23	N9	H38	C20	180.0°	90.0°
N9	C23	C24	C25	125.7°	90.0°
N9	C23	C24	H39	118.0°	90.0°
N9	C23	C25	H39	120.3°	90.0°
N9	C23	C24	O11	134.3°	90.0°
N9	C23	C25	C26	171.1°	90.0°
N9	C23	C25	H40	68.5°	90.0°
N9	C23	C25	H41	50.6°	90.0°
N9	C23	C24	N10	49.8°	90.0°
H38	N9	C23	C24	122.1°	90.0°
H38	N9	C23	C25	0.8°	90.0°
H38	N9	C23	H39	120.5°	90.0°
C24	C23	C25	H39	116.4°	90.0°
C23	C24	O11	N10	175.8°	90.0°
C24	C23	C25	C26	47.8°	90.0°
C24	C23	C25	H40	168.2°	90.0°
C24	C23	C25	H41	72.6°	90.0°
C23	C24	N10	C33	173.3°	90.0°
C23	C24	N10	H52	6.7°	90.0°
C24	C23	N9	C20	57.9°	90.0°
C25	C23	C24	O11	100.0°	90.0°
C23	C25	C26	H40	120.4°	90.0°
C23	C25	C26	H41	120.4°	90.0°
C23	C25	H40	H41	118.8°	90.0°
C23	C25	C26	C27	77.2°	90.0°
C23	C25	C26	C28	97.0°	90.0°
C25	C23	N9	C20	179.2°	90.0°
C25	C23	C24	N10	76.0°	90.0°
H39	C23	C24	O11	16.3°	90.0°
H39	C23	C25	C26	68.6°	90.0°
H39	C23	C25	H40	51.8°	90.0°
H39	C23	C25	H41	171.0°	90.0°
H39	C23	N9	C20	59.5°	90.0°
H39	C23	C24	N10	167.8°	90.0°
O11	C24	N10	C33	10.9°	90.0°
O11	C24	N10	H52	169.1°	90.0°
C26	C25	H40	H41	118.8°	90.0°
C25	C26	C27	C28	174.3°	90.0°
C25	C26	C27	C29	177.1°	90.0°
C25	C26	C27	H42	2.9°	90.0°
C25	C26	C28	C30	176.6°	90.0°
C25	C26	C28	H43	3.4°	90.0°
H40	C25	C26	C27	43.2°	90.0°
H40	C25	C26	C28	142.6°	90.0°
H41	C25	C26	C27	162.4°	90.0°
H41	C25	C26	C28	23.4°	90.0°
C26	C27	C29	H42	180.0°	90.0°
C27	C26	C28	C30	2.4°	90.0°
C27	C26	C28	H43	177.6°	90.0°
C26	C27	C29	C31	1.8°	90.0°
C26	C27	C29	H44	178.2°	90.0°
C28	C26	C27	C29	2.8°	90.0°
C28	C26	C27	H42	177.2°	90.0°
C26	C28	C30	H43	180.0°	90.0°
C26	C28	C30	C31	0.9°	90.0°
C26	C28	C30	H45	179.1°	90.0°
C27	C29	C31	H44	180.0°	90.0°
C27	C29	C31	C30	0.2°	90.0°
C27	C29	C31	H46	179.7°	90.0°
H42	C27	C29	C31	178.2°	90.0°
H42	C27	C29	H44	1.8°	90.0°
C28	C30	C31	C29	0.2°	90.0°
C28	C30	C31	H45	180.0°	90.0°
C28	C30	C31	H46	179.8°	90.0°
H43	C28	C30	C31	179.1°	90.0°
H43	C28	C30	H45	0.9°	90.0°
C29	C31	C30	H46	180.0°	90.0°
C29	C31	C30	H45	179.8°	90.0°
H44	C29	C31	C30	179.8°	90.0°
H44	C29	C31	H46	0.3°	90.0°
H45	C30	C31	H46	0.2°	90.0°
C41	C40	C39	H61	120.2°	90.0°
C41	C40	C39	H62	120.3°	90.0°
C41	C40	C39	C38	91.0°	90.0°
C41	C40	C39	H59	148.6°	90.0°
C41	C40	C39	H60	29.5°	90.0°
C41	C40	H61	H62	119.3°	90.0°
C40	C41	H63	C85	180.0°	90.0°
C40	C41	C85	C84	179.6°	90.0°
C40	C41	C85	H131	0.4°	90.0°
O12	C32	C33	N11	161.5°	90.0°
O12	C32	C33	C34	131.7°	90.0°
O12	C32	C33	C35	11.5°	90.0°
O12	C32	C33	N10	109.5°	90.0°
O12	C32	N11	C42	16.2°	90.0°
O12	C32	N11	H64	163.8°	90.0°
C40	C39	C38	H59	120.5°	90.0°
C40	C39	C38	H60	120.5°	90.0°
C40	C39	C38	C37	50.8°	90.0°
C40	C39	C38	H57	171.2°	90.0°
C40	C39	C38	H58	69.6°	90.0°
C40	C39	H59	H60	118.6°	90.0°
C39	C40	H61	H62	119.3°	90.0°
C39	C40	C41	H63	32.0°	90.0°
C39	C40	C41	C85	148.0°	90.0°
C39	C38	C37	C36	53.1°	90.0°
C39	C38	C37	H57	120.4°	90.0°
C39	C38	C37	H58	120.4°	90.0°
C39	C38	C37	H55	67.3°	90.0°
C39	C38	C37	H56	173.4°	90.0°
C39	C38	H57	H58	118.9°	90.0°
C38	C39	H59	H60	118.5°	90.0°
C38	C39	C40	H61	29.3°	90.0°
C38	C39	C40	H62	148.8°	90.0°
C32	C33	C34	C35	121.8°	90.0°
C32	C33	C34	N10	118.0°	90.0°
C32	C33	C35	C36	69.7°	90.0°
C32	C33	C35	N10	119.5°	90.0°
C32	C33	C34	H47	180.0°	90.0°
C32	C33	C34	H48	60.0°	90.0°
C32	C33	C34	H49	60.0°	90.0°
C32	C33	C35	H50	167.8°	90.0°
C32	C33	C35	H51	52.7°	90.0°
C32	C33	N10	H52	137.8°	90.0°
C33	C32	N11	C42	179.1°	90.0°
C33	C32	N11	H64	0.9°	90.0°
C32	C33	N10	C24	42.2°	90.0°
C34	C33	C35	C36	51.5°	90.0°
C34	C33	C35	N10	119.3°	90.0°
C33	C34	H47	H48	120.0°	90.0°
C33	C34	H47	H49	120.0°	90.0°
C33	C34	H48	H49	120.0°	90.0°
C34	C33	C35	H50	71.0°	90.0°
C34	C33	C35	H51	173.9°	90.0°
C34	C33	N10	H52	18.3°	90.0°
C34	C33	N10	C24	161.8°	90.0°
C34	C33	C32	N11	66.8°	90.0°
C37	C36	C35	H53	120.3°	90.0°
C37	C36	C35	H54	120.3°	90.0°
C36	C37	C38	H55	120.3°	90.0°
C36	C37	C38	H56	120.3°	90.0°
C37	C36	C35	C33	173.0°	90.0°
C37	C36	C35	H50	64.5°	90.0°
C37	C36	C35	H51	50.6°	90.0°
C37	C36	H53	H54	119.3°	90.0°
C36	C37	H55	H56	119.0°	90.0°
C36	C37	C38	H57	67.3°	90.0°
C36	C37	C38	H58	173.4°	90.0°
C35	C36	C37	C38	178.5°	90.0°
C36	C35	C33	H50	122.5°	90.0°
C36	C35	C33	H51	122.5°	90.0°
C36	C35	C33	N10	170.8°	90.0°
C36	C35	H50	H51	111.6°	90.0°
C35	C36	H53	H54	119.2°	90.0°
C35	C36	C37	H55	61.2°	90.0°
C35	C36	C37	H56	58.1°	90.0°
C38	C37	C36	H53	61.3°	90.0°
C38	C37	C36	H54	58.2°	90.0°
C38	C37	H55	H56	119.0°	90.0°
C37	C38	H57	H58	118.9°	90.0°
C37	C38	C39	H59	69.7°	90.0°
C37	C38	C39	H60	171.3°	90.0°
C35	C33	C34	H47	58.2°	90.0°
C35	C33	C34	H48	178.1°	90.0°
C35	C33	C34	H49	61.9°	90.0°
C33	C35	H50	H51	111.6°	90.0°
C35	C33	N10	H52	100.7°	90.0°
C33	C35	C36	H53	52.8°	90.0°
C33	C35	C36	H54	66.7°	90.0°
C35	C33	N10	C24	79.3°	90.0°
C35	C33	C32	N11	173.0°	90.0°
N10	C33	C34	H47	62.0°	90.0°
N10	C33	C34	H48	58.0°	90.0°
N10	C33	C34	H49	178.0°	90.0°
N10	C33	C35	H50	48.3°	90.0°
N10	C33	C35	H51	66.8°	90.0°
C33	N10	H52	C24	180.0°	90.0°
N10	C33	C32	N11	52.0°	90.0°
H47	C34	H48	H49	120.0°	90.0°
H50	C35	C36	H53	175.2°	90.0°
H50	C35	C36	H54	55.8°	90.0°
H51	C35	C36	H53	69.7°	90.0°
H51	C35	C36	H54	170.9°	90.0°
H53	C36	C37	H55	59.1°	90.0°
H53	C36	C37	H56	178.4°	90.0°
H54	C36	C37	H55	178.6°	90.0°
H54	C36	C37	H56	62.1°	90.0°
H55	C37	C38	H57	172.4°	90.0°
H55	C37	C38	H58	53.1°	90.0°
H56	C37	C38	H57	53.0°	90.0°
H56	C37	C38	H58	66.2°	90.0°
H57	C38	C39	H59	50.7°	90.0°
H57	C38	C39	H60	68.3°	90.0°
H58	C38	C39	H59	169.9°	90.0°
H58	C38	C39	H60	50.9°	90.0°
H59	C39	C40	H61	91.2°	90.0°
H59	C39	C40	H62	28.3°	90.0°
H60	C39	C40	H61	149.8°	90.0°
H60	C39	C40	H62	90.7°	90.0°
H61	C40	C41	H63	88.3°	90.0°
H61	C40	C41	C85	91.7°	90.0°
H62	C40	C41	H63	152.2°	90.0°
H62	C40	C41	C85	27.8°	90.0°
H63	C41	C85	C84	0.4°	90.0°
H63	C41	C85	H131	179.6°	90.0°
C42	N11	H64	C32	180.0°	90.0°
N11	C42	C43	C44	125.1°	90.0°
N11	C42	C43	H65	118.2°	90.0°
N11	C42	C44	H65	116.9°	90.0°
N11	C42	C43	O13	138.5°	90.0°
N11	C42	C44	C45	72.4°	90.0°
N11	C42	C44	H66	48.0°	90.0°
N11	C42	C44	H67	167.1°	90.0°
N11	C42	C43	N13	39.9°	90.0°
H64	N11	C42	C43	108.5°	90.0°
H64	N11	C42	C44	17.0°	90.0°
H64	N11	C42	H65	133.6°	90.0°
C43	C42	C44	H65	116.8°	90.0°
C42	C43	O13	N13	178.3°	90.0°
C43	C42	C44	C45	161.2°	90.0°
C43	C42	C44	H66	78.4°	90.0°
C43	C42	C44	H67	40.7°	90.0°
C42	C43	N13	C46	179.1°	90.0°
C42	C43	N13	H70	0.9°	90.0°
C43	C42	N11	C32	71.5°	90.0°
C44	C42	C43	O13	96.4°	90.0°
C42	C44	C45	H66	120.5°	90.0°
C42	C44	C45	H67	120.4°	90.0°
C42	C44	H66	H67	118.6°	90.0°
C42	C44	C45	O14	23.7°	90.0°
C42	C44	C45	N12	156.7°	90.0°
C44	C42	N11	C32	163.0°	90.0°
C44	C42	C43	N13	85.2°	90.0°
H65	C42	C43	O13	20.3°	90.0°
H65	C42	C44	C45	44.4°	90.0°
H65	C42	C44	H66	164.9°	90.0°
H65	C42	C44	H67	76.0°	90.0°
H65	C42	N11	C32	46.5°	90.0°
H65	C42	C43	N13	158.1°	90.0°
O13	C43	N13	C46	0.7°	90.0°
O13	C43	N13	H70	179.2°	90.0°
C45	C44	H66	H67	118.7°	90.0°
C44	C45	O14	N12	179.6°	90.0°
C44	C45	N12	H68	179.6°	90.0°
C44	C45	N12	H69	0.4°	90.0°
H66	C44	C45	O14	144.1°	90.0°
H66	C44	C45	N12	36.2°	90.0°
H67	C44	C45	O14	96.8°	90.0°
H67	C44	C45	N12	82.9°	90.0°
O14	C45	N12	H68	0.0°	90.0°
O14	C45	N12	H69	180.0°	90.0°
C45	N12	H68	H69	180.0°	90.0°
C46	N13	H70	C43	180.0°	90.0°
N13	C46	C47	C48	123.4°	90.0°
N13	C46	C47	H71	118.6°	90.0°
N13	C46	C48	H71	119.4°	90.0°
N13	C46	C47	O15	132.1°	90.0°
N13	C46	C48	C49	68.8°	90.0°
N13	C46	C48	H72	51.7°	90.0°
N13	C46	C48	H73	170.8°	90.0°
N13	C46	C47	N14	46.2°	90.0°
H70	N13	C46	C47	117.5°	90.0°
H70	N13	C46	C48	5.5°	90.0°
H70	N13	C46	H71	124.3°	90.0°
C47	C46	C48	H71	118.2°	90.0°
C46	C47	O15	N14	178.2°	90.0°
C47	C46	C48	C49	168.8°	90.0°
C47	C46	C48	H72	70.8°	90.0°
C47	C46	C48	H73	48.3°	90.0°
C46	C47	N14	C52	178.6°	90.0°
C46	C47	N14	H81	1.4°	90.0°
C47	C46	N13	C43	62.4°	90.0°
C48	C46	C47	O15	104.5°	90.0°
C46	C48	C49	H72	120.4°	90.0°
C46	C48	C49	H73	120.4°	90.0°
C46	C48	H72	H73	118.6°	90.0°
C46	C48	C49	C50	164.0°	90.0°
C46	C48	C49	C51	72.0°	90.0°
C46	C48	C49	H74	46.2°	90.0°
C48	C46	N13	C43	174.5°	90.0°
C48	C46	C47	N14	77.2°	90.0°
H71	C46	C47	O15	13.5°	90.0°
H71	C46	C48	C49	50.6°	90.0°
H71	C46	C48	H72	171.1°	90.0°
H71	C46	C48	H73	69.8°	90.0°
H71	C46	N13	C43	55.7°	90.0°
H71	C46	C47	N14	164.8°	90.0°
O15	C47	N14	C52	0.4°	90.0°
O15	C47	N14	H81	179.6°	90.0°
C49	C48	H72	H73	118.6°	90.0°
C48	C49	C50	C51	123.9°	90.0°
C48	C49	C50	H74	117.7°	90.0°
C48	C49	C51	H74	118.3°	90.0°
C48	C49	C50	H75	180.0°	90.0°
C48	C49	C50	H76	60.0°	90.0°
C48	C49	C50	H77	60.0°	90.0°
C48	C49	C51	H78	180.0°	90.0°
C48	C49	C51	H79	60.0°	90.0°
C48	C49	C51	H80	60.0°	90.0°
H72	C48	C49	C50	43.6°	90.0°
H72	C48	C49	C51	167.6°	90.0°
H72	C48	C49	H74	74.2°	90.0°
H73	C48	C49	C50	75.6°	90.0°
H73	C48	C49	C51	48.5°	90.0°
H73	C48	C49	H74	166.7°	90.0°
C50	C49	C51	H74	118.5°	90.0°
C49	C50	H75	H76	120.0°	90.0°
C49	C50	H75	H77	120.0°	90.0°
C49	C50	H76	H77	120.0°	90.0°
C50	C49	C51	H78	56.7°	90.0°
C50	C49	C51	H79	63.3°	90.0°
C50	C49	C51	H80	176.7°	90.0°
C51	C49	C50	H75	56.1°	90.0°
C51	C49	C50	H76	176.2°	90.0°
C51	C49	C50	H77	63.9°	90.0°
C49	C51	H78	H79	120.0°	90.0°
C49	C51	H78	H80	120.0°	90.0°
C49	C51	H79	H80	120.0°	90.0°
H74	C49	C50	H75	62.3°	90.0°
H74	C49	C50	H76	57.8°	90.0°
H74	C49	C50	H77	177.7°	90.0°
H74	C49	C51	H78	61.8°	90.0°
H74	C49	C51	H79	178.2°	90.0°
H74	C49	C51	H80	58.2°	90.0°
H75	C50	H76	H77	119.9°	90.0°
H78	C51	H79	H80	120.0°	90.0°
C52	N14	H81	C47	180.0°	90.0°
N14	C52	C53	C54	124.1°	90.0°
N14	C52	C53	H82	118.6°	90.0°
N14	C52	C54	H82	118.5°	90.0°
N14	C52	C53	O16	141.7°	90.0°
N14	C52	C54	C55	157.7°	90.0°
N14	C52	C54	H83	37.1°	90.0°
N14	C52	C54	H84	81.8°	90.0°
N14	C52	C53	N16	38.4°	90.0°
H81	N14	C52	C53	112.1°	90.0°
H81	N14	C52	C54	11.9°	90.0°
H81	N14	C52	H82	129.8°	90.0°
C53	C52	C54	H82	117.2°	90.0°
C52	C53	O16	N16	179.9°	90.0°
C53	C52	C54	C55	78.0°	90.0°
C53	C52	C54	H83	161.5°	90.0°
C53	C52	C54	H84	42.5°	90.0°
C52	C53	N16	C63	169.6°	90.0°
C52	C53	N16	H91	10.4°	90.0°
C53	C52	N14	C47	67.9°	90.0°
C54	C52	C53	O16	94.2°	90.0°
C52	C54	C55	H83	120.5°	90.0°
C52	C54	C55	H84	120.5°	90.0°
C52	C54	H83	H84	118.4°	90.0°
C52	C54	C55	C56	95.5°	90.0°
C52	C54	C55	C57	83.9°	90.0°
C54	C52	N14	C47	168.1°	90.0°
C54	C52	C53	N16	85.7°	90.0°
H82	C52	C53	O16	23.0°	90.0°
H82	C52	C54	C55	39.2°	90.0°
H82	C52	C54	H83	81.3°	90.0°
H82	C52	C54	H84	159.7°	90.0°
H82	C52	N14	C47	50.2°	90.0°
H82	C52	C53	N16	157.1°	90.0°
O16	C53	N16	C63	10.5°	90.0°
O16	C53	N16	H91	169.5°	90.0°
C55	C54	H83	H84	118.4°	90.0°
C54	C55	C56	C57	179.5°	90.0°
C54	C55	C56	N15	179.7°	90.0°
C54	C55	C56	H85	0.3°	90.0°
C54	C55	C57	C58	179.6°	90.0°
C54	C55	C57	C59	0.5°	90.0°
H83	C54	C55	C56	144.0°	90.0°
H83	C54	C55	C57	36.7°	90.0°
H84	C54	C55	C56	25.0°	90.0°
H84	C54	C55	C57	155.6°	90.0°
C55	C56	N15	H85	180.0°	90.0°
C56	C55	C57	C58	0.1°	90.0°
C56	C55	C57	C59	179.0°	90.0°
C55	C56	N15	C58	0.3°	90.0°
C55	C56	N15	H86	179.7°	90.0°
C57	C55	C56	N15	0.3°	90.0°
C57	C55	C56	H85	179.7°	90.0°
C55	C57	C58	C59	179.3°	90.0°
C55	C57	C58	N15	0.1°	90.0°
C55	C57	C58	C60	179.9°	90.0°
C55	C57	C59	C61	179.8°	90.0°
C55	C57	C59	H87	0.2°	90.0°
C56	N15	C58	C57	0.3°	90.0°
C56	N15	C58	H86	180.0°	90.0°
C56	N15	C58	C60	180.0°	90.0°
H85	C56	N15	C58	179.7°	90.0°
H85	C56	N15	H86	0.3°	90.0°
C57	C58	N15	C60	179.8°	90.0°
C57	C58	N15	H86	179.8°	90.0°
C58	C57	C59	C61	0.8°	90.0°
C58	C57	C59	H87	179.2°	90.0°
C57	C58	C60	C62	0.0°	90.0°
C57	C58	C60	H88	180.0°	90.0°
C59	C57	C58	N15	179.4°	90.0°
C59	C57	C58	C60	0.9°	90.0°
C57	C59	C61	H87	180.0°	90.0°
C57	C59	C61	C62	0.0°	90.0°
C57	C59	C61	H89	180.0°	90.0°
N15	C58	C60	C62	179.7°	90.0°
N15	C58	C60	H88	0.3°	90.0°
H86	N15	C58	C60	0.0°	90.0°
C58	C60	C62	H88	180.0°	90.0°
C58	C60	C62	C61	0.9°	90.0°
C58	C60	C62	H90	179.1°	90.0°
C59	C61	C62	C60	0.9°	90.0°
C59	C61	C62	H89	180.0°	90.0°
C59	C61	C62	H90	179.1°	90.0°
H87	C59	C61	C62	180.0°	90.0°
H87	C59	C61	H89	0.0°	90.0°
C60	C62	C61	H90	180.0°	90.0°
C60	C62	C61	H89	179.1°	90.0°
H88	C60	C62	C61	179.1°	90.0°
H88	C60	C62	H90	0.9°	90.0°
H89	C61	C62	H90	0.9°	90.0°
C63	N16	H91	C53	180.0°	90.0°
N16	C63	C64	C65	122.8°	90.0°
N16	C63	C64	H92	119.9°	90.0°
N16	C63	C65	H92	119.4°	90.0°
N16	C63	C64	O17	133.3°	90.0°
N16	C63	C65	C66	79.7°	90.0°
N16	C63	C65	H93	40.9°	90.0°
N16	C63	C65	H94	159.7°	90.0°
N16	C63	C64	N20	46.8°	90.0°
H91	N16	C63	C64	126.9°	90.0°
H91	N16	C63	C65	5.5°	90.0°
H91	N16	C63	H92	113.6°	90.0°
C64	C63	C65	H92	117.3°	90.0°
C63	C64	O17	N20	179.9°	90.0°
C64	C63	C65	C66	157.1°	90.0°
C64	C63	C65	H93	82.3°	90.0°
C64	C63	C65	H94	36.5°	90.0°
C63	C64	N20	C69	175.9°	90.0°
C63	C64	N20	H104	4.0°	90.0°
C64	C63	N16	C53	53.1°	90.0°
C65	C63	C64	O17	103.8°	90.0°
C63	C65	C66	H93	120.6°	90.0°
C63	C65	C66	H94	120.6°	90.0°
C63	C65	H93	H94	118.1°	90.0°
C63	C65	C66	C67	178.4°	90.0°
C63	C65	C66	H95	58.0°	90.0°
C63	C65	C66	H96	61.3°	90.0°
C65	C63	N16	C53	174.5°	90.0°
C65	C63	C64	N20	76.0°	90.0°
H92	C63	C64	O17	13.5°	90.0°
H92	C63	C65	C66	39.8°	90.0°
H92	C63	C65	H93	160.4°	90.0°
H92	C63	C65	H94	80.8°	90.0°
H92	C63	N16	C53	66.4°	90.0°
H92	C63	C64	N20	166.7°	90.0°
O17	C64	N20	C69	4.2°	90.0°
O17	C64	N20	H104	175.8°	90.0°
C66	C65	H93	H94	118.2°	90.0°
C65	C66	C67	H95	120.4°	90.0°
C65	C66	C67	H96	120.4°	90.0°
C65	C66	H95	H96	118.8°	90.0°
C65	C66	C67	N17	170.0°	90.0°
C65	C66	C67	H97	50.3°	90.0°
C65	C66	C67	H98	70.2°	90.0°
H93	C65	C66	C67	61.0°	90.0°
H93	C65	C66	H95	178.6°	90.0°
H93	C65	C66	H96	59.3°	90.0°
H94	C65	C66	C67	57.8°	90.0°
H94	C65	C66	H95	62.6°	90.0°
H94	C65	C66	H96	178.2°	90.0°
C67	C66	H95	H96	118.8°	90.0°
C66	C67	N17	H97	119.8°	90.0°
C66	C67	N17	H98	119.7°	90.0°
C66	C67	H97	H98	120.7°	90.0°
C66	C67	N17	C68	117.3°	90.0°
C66	C67	N17	H99	62.7°	90.0°
H95	C66	C67	N17	69.6°	90.0°
H95	C66	C67	H97	170.6°	90.0°
H95	C66	C67	H98	50.1°	90.0°
H96	C66	C67	N17	49.7°	90.0°
H96	C66	C67	H97	70.1°	90.0°
H96	C66	C67	H98	169.4°	90.0°
N17	C67	H97	H98	120.7°	90.0°
C67	N17	C68	H99	180.0°	90.0°
C67	N17	C68	N18	3.7°	90.0°
C67	N17	C68	N19	177.8°	90.0°
H97	C67	N17	C68	2.5°	90.0°
H97	C67	N17	H99	177.5°	90.0°
H98	C67	N17	C68	123.0°	90.0°
H98	C67	N17	H99	57.0°	90.0°
N17	C68	N18	N19	178.5°	90.0°
N17	C68	N18	H100	178.5°	90.0°
N17	C68	N18	H101	1.5°	90.0°
N17	C68	N19	H102	178.6°	90.0°
N17	C68	N19	H103	1.4°	90.0°
H99	N17	C68	N18	176.3°	90.0°
H99	N17	C68	N19	2.2°	90.0°
C68	N18	H100	H101	180.0°	90.0°
N18	C68	N19	H102	0.0°	90.0°
N18	C68	N19	H103	180.0°	90.0°
N19	C68	N18	H100	0.0°	90.0°
N19	C68	N18	H101	180.0°	90.0°
C68	N19	H102	H103	180.0°	90.0°
C69	N20	H104	C64	180.0°	90.0°
N20	C69	C70	C71	124.1°	90.0°
N20	C69	C70	H105	118.9°	90.0°
N20	C69	C71	H105	118.5°	90.0°
N20	C69	C70	O18	135.4°	90.0°
N20	C69	C71	C72	77.6°	90.0°
N20	C69	C71	H106	43.4°	90.0°
N20	C69	C71	H107	161.4°	90.0°
N20	C69	C70	N21	44.3°	90.0°
H104	N20	C69	C70	121.2°	90.0°
H104	N20	C69	C71	2.2°	90.0°
H104	N20	C69	H105	120.2°	90.0°
C70	C69	C71	H105	117.1°	90.0°
C69	C70	O18	N21	179.6°	90.0°
C70	C69	C71	C72	158.1°	90.0°
C70	C69	C71	H106	80.9°	90.0°
C70	C69	C71	H107	37.1°	90.0°
C69	C70	N21	C75	175.0°	90.0°
C69	C70	N21	H115	5.0°	90.0°
C70	C69	N20	C64	58.7°	90.0°
C71	C69	C70	O18	100.5°	90.0°
C69	C71	C72	H106	121.0°	90.0°
C69	C71	C72	H107	121.0°	90.0°
C69	C71	H106	H107	116.9°	90.0°
C69	C71	C72	C73	176.2°	90.0°
C69	C71	C72	C74	60.6°	90.0°
C69	C71	C72	H108	57.4°	90.0°
C71	C69	N20	C64	177.8°	90.0°
C71	C69	C70	N21	79.8°	90.0°
H105	C69	C70	O18	16.5°	90.0°
H105	C69	C71	C72	40.9°	90.0°
H105	C69	C71	H106	161.9°	90.0°
H105	C69	C71	H107	80.1°	90.0°
H105	C69	N20	C64	59.8°	90.0°
H105	C69	C70	N21	163.2°	90.0°
O18	C70	N21	C75	4.6°	90.0°
O18	C70	N21	H115	175.4°	90.0°
C72	C71	H106	H107	116.9°	90.0°
C71	C72	C73	C74	122.5°	90.0°
C71	C72	C73	H108	118.8°	90.0°
C71	C72	C74	H108	117.9°	90.0°
C71	C72	C73	H109	180.0°	90.0°
C71	C72	C73	H110	60.0°	90.0°
C71	C72	C73	H111	60.0°	90.0°
C71	C72	C74	H112	180.0°	90.0°
C71	C72	C74	H113	60.0°	90.0°
C71	C72	C74	H114	60.0°	90.0°
H106	C71	C72	C73	55.2°	90.0°
H106	C71	C72	C74	178.4°	90.0°
H106	C71	C72	H108	63.6°	90.0°
H107	C71	C72	C73	62.8°	90.0°
H107	C71	C72	C74	60.4°	90.0°
H107	C71	C72	H108	178.4°	90.0°
C73	C72	C74	H108	118.6°	90.0°
C72	C73	H109	H110	120.0°	90.0°
C72	C73	H109	H111	120.0°	90.0°
C72	C73	H110	H111	120.0°	90.0°
C73	C72	C74	H112	56.5°	90.0°
C73	C72	C74	H113	63.5°	90.0°
C73	C72	C74	H114	176.5°	90.0°
C74	C72	C73	H109	57.5°	90.0°
C74	C72	C73	H110	177.5°	90.0°
C74	C72	C73	H111	62.5°	90.0°
C72	C74	H112	H113	120.0°	90.0°
C72	C74	H112	H114	120.0°	90.0°
C72	C74	H113	H114	120.0°	90.0°
H108	C72	C73	H109	61.2°	90.0°
H108	C72	C73	H110	58.9°	90.0°
H108	C72	C73	H111	178.8°	90.0°
H108	C72	C74	H112	62.2°	90.0°
H108	C72	C74	H113	177.9°	90.0°
H108	C72	C74	H114	57.8°	90.0°
H109	C73	H110	H111	119.9°	90.0°
H112	C74	H113	H114	120.0°	90.0°
C75	N21	H115	C70	180.0°	90.0°
N21	C75	C76	C77	122.8°	90.0°
N21	C75	C76	H116	119.2°	90.0°
N21	C75	C77	H116	119.3°	90.0°
N21	C75	C76	O19	122.4°	90.0°
N21	C75	C77	C78	177.5°	90.0°
N21	C75	C77	H117	60.9°	90.0°
N21	C75	C77	H118	56.0°	90.0°
N21	C75	C76	N22	54.7°	90.0°
H115	N21	C75	C76	119.0°	90.0°
H115	N21	C75	C77	3.8°	90.0°
H115	N21	C75	H116	122.4°	90.0°
C76	C75	C77	H116	118.1°	90.0°
C75	C76	O19	N22	177.4°	90.0°
C76	C75	C77	C78	54.9°	90.0°
C76	C75	C77	H117	176.5°	90.0°
C76	C75	C77	H118	66.6°	90.0°
C75	C76	N22	H126	1.8°	90.0°
C75	C76	N22	C82	178.2°	90.0°
C76	C75	N21	C70	61.0°	90.0°
C77	C75	C76	O19	114.8°	90.0°
C75	C77	C78	H117	121.6°	90.0°
C75	C77	C78	H118	121.5°	90.0°
C75	C77	H117	H118	115.0°	90.0°
C75	C77	C78	C79	93.4°	90.0°
C75	C77	C78	C80	31.6°	90.0°
C75	C77	C78	H119	149.0°	90.0°
C77	C75	N21	C70	176.2°	90.0°
C77	C75	C76	N22	68.1°	90.0°
H116	C75	C76	O19	3.2°	90.0°
H116	C75	C77	C78	63.2°	90.0°
H116	C75	C77	H117	58.4°	90.0°
H116	C75	C77	H118	175.3°	90.0°
H116	C75	N21	C70	57.6°	90.0°
H116	C75	C76	N22	173.9°	90.0°
O19	C76	N22	H126	179.0°	90.0°
O19	C76	N22	C82	0.9°	90.0°
C78	C77	H117	H118	115.0°	90.0°
C77	C78	C79	C80	125.6°	90.0°
C77	C78	C79	H119	117.5°	90.0°
C77	C78	C80	H119	117.2°	90.0°
C77	C78	C79	H120	180.0°	90.0°
C77	C78	C79	H121	60.0°	90.0°
C77	C78	C79	H122	60.0°	90.0°
C77	C78	C80	H123	180.0°	90.0°
C77	C78	C80	H124	60.0°	90.0°
C77	C78	C80	H125	60.0°	90.0°
H117	C77	C78	C79	145.0°	90.0°
H117	C77	C78	C80	89.9°	90.0°
H117	C77	C78	H119	27.4°	90.0°
H118	C77	C78	C79	28.1°	90.0°
H118	C77	C78	C80	153.2°	90.0°
H118	C77	C78	H119	89.5°	90.0°
C79	C78	C80	H119	116.8°	90.0°
C78	C79	H120	H121	120.0°	90.0°
C78	C79	H120	H122	120.0°	90.0°
C78	C79	H121	H122	120.0°	90.0°
C79	C78	C80	H123	54.0°	90.0°
C79	C78	C80	H124	66.0°	90.0°
C79	C78	C80	H125	174.0°	90.0°
C80	C78	C79	H120	54.3°	90.0°
C80	C78	C79	H121	174.3°	90.0°
C80	C78	C79	H122	65.6°	90.0°
C78	C80	H123	H124	120.0°	90.0°
C78	C80	H123	H125	120.0°	90.0°
C78	C80	H124	H125	120.0°	90.0°
H119	C78	C79	H120	62.5°	90.0°
H119	C78	C79	H121	57.5°	90.0°
H119	C78	C79	H122	177.5°	90.0°
H119	C78	C80	H123	62.8°	90.0°
H119	C78	C80	H124	177.2°	90.0°
H119	C78	C80	H125	57.2°	90.0°
H120	C79	H121	H122	120.0°	90.0°
H123	C80	H124	H125	120.0°	90.0°
C81	C82	N22	H126	118.3°	90.0°
C82	C81	O20	N23	22.4°	90.0°
C81	C82	N22	C83	118.1°	90.0°
C81	C82	N22	C87	120.4°	90.0°
C81	C82	C83	C87	121.0°	90.0°
C81	C82	C83	H127	146.1°	90.0°
C81	C82	C83	H128	32.3°	90.0°
C81	C82	C83	C86	90.8°	90.0°
C81	C82	C87	H134	180.0°	90.0°
C81	C82	C87	H135	60.0°	90.0°
C81	C82	C87	H136	60.0°	90.0°
C82	C81	N23	C88	90.0°	90.0°
C82	C81	N23	H137	90.0°	90.0°
C81	C82	N22	C76	61.7°	90.0°
H126	N22	C82	C76	180.0°	90.0°
H126	N22	C82	C83	0.2°	90.0°
H126	N22	C82	C87	121.3°	90.0°
O20	C81	C82	N22	100.4°	90.0°
O20	C81	C82	C83	140.9°	90.0°
O20	C81	C82	C87	19.2°	90.0°
O20	C81	N23	C88	90.0°	90.0°
O20	C81	N23	H137	90.0°	90.0°
N22	C82	C83	C87	120.2°	90.0°
N22	C82	C83	H127	27.3°	90.0°
N22	C82	C83	H128	86.5°	90.0°
N22	C82	C83	C86	150.4°	90.0°
N22	C82	C87	H134	60.1°	90.0°
N22	C82	C87	H135	179.9°	90.0°
N22	C82	C87	H136	59.9°	90.0°
N22	C82	C81	N23	145.7°	90.0°
C82	C83	H127	H128	109.0°	90.0°
C82	C83	H127	C86	142.1°	90.0°
C82	C83	H128	C86	142.1°	90.0°
C82	C83	C86	C84	164.9°	90.0°
C82	C83	C86	H132	41.6°	90.0°
C82	C83	C86	H133	71.9°	90.0°
C83	C82	C87	H134	60.2°	90.0°
C83	C82	C87	H135	59.8°	90.0°
C83	C82	C87	H136	179.8°	90.0°
C83	C82	N22	C76	179.8°	90.0°
C83	C82	C81	N23	95.6°	90.0°
H127	C83	H128	C86	109.0°	90.0°
H127	C83	C86	C84	41.8°	90.0°
H127	C83	C86	H132	81.5°	90.0°
H127	C83	C86	H133	165.0°	90.0°
H127	C83	C82	C87	92.9°	90.0°
H128	C83	C86	C84	72.0°	90.0°
H128	C83	C86	H132	164.7°	90.0°
H128	C83	C86	H133	51.2°	90.0°
H128	C83	C82	C87	153.3°	90.0°
C86	C84	H129	H130	119.4°	90.0°
C86	C84	H129	C85	121.2°	90.0°
C86	C84	H130	C85	121.2°	90.0°
C86	C84	C85	H131	19.7°	90.0°
C84	C86	C83	H132	123.2°	90.0°
C84	C86	C83	H133	123.2°	90.0°
C84	C86	H132	H133	108.4°	90.0°
C86	C84	C85	C41	160.4°	90.0°
H129	C84	H130	C85	119.4°	90.0°
H129	C84	C85	H131	100.5°	90.0°
H129	C84	C86	C83	139.6°	90.0°
H129	C84	C86	H132	97.1°	90.0°
H129	C84	C86	H133	16.4°	90.0°
H129	C84	C85	C41	79.4°	90.0°
H130	C84	C85	H131	139.8°	90.0°
H130	C84	C86	C83	100.8°	90.0°
H130	C84	C86	H132	22.5°	90.0°
H130	C84	C86	H133	136.0°	90.0°
H130	C84	C85	C41	40.2°	90.0°
C84	C85	H131	C41	180.0°	90.0°
C85	C84	C86	C83	19.4°	90.0°
C85	C84	C86	H132	142.6°	90.0°
C85	C84	C86	H133	103.8°	90.0°
C83	C86	H132	H133	108.4°	90.0°
C86	C83	C82	C87	30.2°	90.0°
C82	C87	H134	H135	120.0°	90.0°
C82	C87	H134	H136	120.0°	90.0°
C82	C87	H135	H136	120.0°	90.0°
C87	C82	N22	C76	58.7°	90.0°
C87	C82	C81	N23	26.0°	90.0°
H134	C87	H135	H136	120.0°	90.0°
C88	N23	H137	C81	90.0°	90.0°
N23	C88	C89	C90	90.0°	90.0°
N23	C88	C89	H138	90.0°	90.0°
N23	C88	C90	H138	90.0°	90.0°
N23	C88	C89	O21	90.0°	90.0°
N23	C88	C90	C91	90.0°	90.0°
N23	C88	C90	H139	90.0°	90.0°
N23	C88	C90	H140	90.0°	90.0°
N23	C88	C89	N25	90.0°	90.0°
H137	N23	C88	C89	90.0°	90.0°
H137	N23	C88	C90	90.0°	90.0°
H137	N23	C88	H138	90.0°	90.0°
C89	C88	C90	H138	90.0°	90.0°
C88	C89	O21	N25	90.0°	90.0°
C89	C88	C90	C91	90.0°	90.0°
C89	C88	C90	H139	90.0°	90.0°
C89	C88	C90	H140	90.0°	90.0°
C88	C89	N25	C93	90.0°	90.0°
C88	C89	N25	H145	90.0°	90.0°
C89	C88	N23	C81	90.0°	90.0°
C90	C88	C89	O21	90.0°	90.0°
C88	C90	C91	H139	90.0°	90.0°
C88	C90	C91	H140	90.0°	90.0°
C88	C90	H139	H140	90.0°	90.0°
C88	C90	C91	C92	90.0°	90.0°
C88	C90	C91	H141	90.0°	90.0°
C88	C90	C91	H142	90.0°	90.0°
C90	C88	N23	C81	90.0°	90.0°
C90	C88	C89	N25	90.0°	90.0°
H138	C88	C89	O21	90.0°	90.0°
H138	C88	C90	C91	90.0°	90.0°
H138	C88	C90	H139	90.0°	90.0°
H138	C88	C90	H140	90.0°	90.0°
H138	C88	N23	C81	90.0°	90.0°
H138	C88	C89	N25	90.0°	90.0°
O21	C89	N25	C93	90.0°	90.0°
O21	C89	N25	H145	90.0°	90.0°
C91	C90	H139	H140	90.0°	90.0°
C90	C91	C92	H141	90.0°	90.0°
C90	C91	C92	H142	90.0°	90.0°
C90	C91	H141	H142	90.0°	90.0°
C90	C91	C92	O22	90.0°	90.0°
C90	C91	C92	N24	90.0°	90.0°
H139	C90	C91	C92	90.0°	90.0°
H139	C90	C91	H141	90.0°	90.0°
H139	C90	C91	H142	90.0°	90.0°
H140	C90	C91	C92	90.0°	90.0°
H140	C90	C91	H141	90.0°	90.0°
H140	C90	C91	H142	90.0°	90.0°
C92	C91	H141	H142	90.0°	90.0°
C91	C92	O22	N24	90.0°	90.0°
C91	C92	N24	H143	90.0°	90.0°
C91	C92	N24	H144	90.0°	90.0°
H141	C91	C92	O22	90.0°	90.0°
H141	C91	C92	N24	90.0°	90.0°
H142	C91	C92	O22	90.0°	90.0°
H142	C91	C92	N24	90.0°	90.0°
O22	C92	N24	H143	90.0°	90.0°
O22	C92	N24	H144	90.0°	90.0°
C92	N24	H143	H144	90.0°	90.0°
C93	N25	H145	C89	90.0°	90.0°
N25	C93	C94	C95	90.0°	90.0°
N25	C93	C94	H146	90.0°	90.0°
N25	C93	C95	H146	90.0°	90.0°
N25	C93	C94	O23	90.0°	90.0°
N25	C93	C94	O25	90.0°	90.0°
N25	C93	C95	C96	90.0°	90.0°
N25	C93	C95	H147	90.0°	90.0°
N25	C93	C95	H148	90.0°	90.0°
H145	N25	C93	C94	90.0°	90.0°
H145	N25	C93	C95	90.0°	90.0°
H145	N25	C93	H146	90.0°	90.0°
C94	C93	C95	H146	90.0°	90.0°
C93	C94	O23	O25	90.0°	90.0°
C94	C93	C95	C96	90.0°	90.0°
C94	C93	C95	H147	90.0°	90.0°
C94	C93	C95	H148	90.0°	90.0°
C93	C94	O25	H151	90.0°	90.0°
C94	C93	N25	C89	90.0°	90.0°
C95	C93	C94	O23	90.0°	90.0°
C95	C93	C94	O25	90.0°	90.0°
C93	C95	C96	H147	90.0°	90.0°
C93	C95	C96	H148	90.0°	90.0°
C93	C95	H147	H148	90.0°	90.0°
C93	C95	C96	O24	90.0°	90.0°
C93	C95	C96	N26	90.0°	90.0°
C95	C93	N25	C89	90.0°	90.0°
H146	C93	C94	O23	90.0°	90.0°
H146	C93	C94	O25	90.0°	90.0°
H146	C93	C95	C96	90.0°	90.0°
H146	C93	C95	H147	90.0°	90.0°
H146	C93	C95	H148	90.0°	90.0°
H146	C93	N25	C89	90.0°	90.0°
O23	C94	O25	H151	90.0°	90.0°
C96	C95	H147	H148	90.0°	90.0°
C95	C96	O24	N26	90.0°	90.0°
C95	C96	N26	H149	90.0°	90.0°
C95	C96	N26	H150	90.0°	90.0°
H147	C95	C96	O24	90.0°	90.0°
H147	C95	C96	N26	90.0°	90.0°
H148	C95	C96	O24	90.0°	90.0°
H148	C95	C96	N26	90.0°	90.0°
O24	C96	N26	H149	90.0°	90.0°
O24	C96	N26	H150	90.0°	90.0°
C96	N26	H149	H150	90.0°	90.0°

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