PRD_001086

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	doub	0.00Å	1.17Å
C1	C2	sing	0.00Å	1.51Å
C2	H1	sing	0.00Å	1.10Å
C2	H2	sing	0.00Å	1.10Å
C2	H3	sing	0.00Å	1.10Å
N1	C3	sing	0.00Å	1.44Å
N1	H4	sing	0.00Å	1.00Å
C3	C4	sing	0.00Å	1.54Å
C3	C5	sing	0.00Å	1.53Å
C3	H5	sing	0.00Å	1.10Å
C4	O2	doub	0.00Å	1.16Å
C5	C6	sing	0.00Å	1.52Å
C5	C7	sing	0.00Å	1.52Å
C5	H6	sing	0.00Å	1.10Å
C6	C8	sing	0.00Å	1.52Å
C6	H7	sing	0.00Å	1.10Å
C6	H8	sing	0.00Å	1.10Å
C7	H9	sing	0.00Å	1.10Å
C7	H10	sing	0.00Å	1.10Å
C7	H11	sing	0.00Å	1.10Å
C8	H12	sing	0.00Å	1.10Å
C8	H13	sing	0.00Å	1.10Å
C8	H14	sing	0.00Å	1.10Å
N2	C9	sing	0.00Å	1.43Å
N2	H15	sing	0.00Å	1.00Å
C9	C10	sing	0.00Å	1.51Å
C9	C11	sing	0.00Å	1.52Å
C9	H16	sing	0.00Å	1.10Å
C10	O3	doub	0.00Å	1.16Å
C11	O4	sing	0.00Å	1.41Å
C11	H17	sing	0.00Å	1.10Å
C11	H18	sing	0.00Å	1.10Å
O4	H19	sing	0.00Å	0.95Å
N3	C12	sing	0.00Å	1.45Å
N3	H20	sing	0.00Å	1.00Å
C12	C13	sing	0.00Å	1.50Å
C12	C14	sing	0.00Å	1.53Å
C12	H21	sing	0.00Å	1.10Å
C13	O5	doub	0.00Å	1.24Å
C14	O6	sing	0.00Å	1.45Å
C14	C15	sing	0.00Å	1.51Å
C14	H22	sing	0.00Å	1.10Å
C15	H23	sing	0.00Å	1.10Å
C15	H24	sing	0.00Å	1.10Å
C15	H25	sing	0.00Å	1.10Å
N4	C16	sing	0.00Å	1.45Å
N4	H26	sing	0.00Å	1.00Å
C16	C17	sing	0.00Å	1.53Å
C16	C18	sing	0.00Å	1.55Å
C16	H27	sing	0.00Å	1.10Å
C17	O7	doub	0.00Å	1.22Å
C18	C19	sing	0.00Å	1.54Å
C18	H28	sing	0.00Å	1.10Å
C18	H29	sing	0.00Å	1.10Å
C19	C20	sing	0.00Å	1.53Å
C19	H30	sing	0.00Å	1.10Å
C19	H31	sing	0.00Å	1.10Å
C20	N5	sing	0.00Å	1.45Å
C20	H32	sing	0.00Å	1.10Å
C20	H33	sing	0.00Å	1.10Å
N5	C21	sing	0.00Å	1.34Å
N5	H34	sing	0.00Å	1.00Å
C21	N6	sing	0.00Å	1.35Å
C21	N7	doub	0.00Å	1.30Å
N6	H35	sing	0.00Å	1.00Å
N6	H36	sing	0.00Å	1.00Å
N7	H37	sing	0.00Å	1.00Å
N7	H38	sing	0.00Å	1.00Å
N8	C22	sing	0.00Å	1.47Å
N8	H39	sing	0.00Å	1.00Å
C22	C23	sing	0.00Å	1.50Å
C22	C24	sing	0.00Å	1.54Å
C22	H40	sing	0.00Å	1.10Å
C23	O8	doub	0.00Å	1.20Å
C24	C25	sing	0.00Å	1.52Å
C24	H41	sing	0.00Å	1.10Å
C24	H42	sing	0.00Å	1.10Å
C25	C26	sing	0.00Å	1.50Å
C25	H43	sing	0.00Å	1.10Å
C25	H44	sing	0.00Å	1.10Å
C26	C27	sing	0.00Å	1.50Å
C26	H45	sing	0.00Å	1.10Å
C26	H46	sing	0.00Å	1.10Å
C27	N9	sing	0.00Å	1.49Å
C27	H47	sing	0.00Å	1.10Å
C27	H48	sing	0.00Å	1.10Å
N9	H49	sing	0.00Å	1.00Å
N9	H50	sing	0.00Å	1.00Å
N10	C28	sing	0.00Å	1.45Å
N10	H51	sing	0.00Å	1.00Å
C28	C29	sing	0.00Å	1.56Å
C28	C30	sing	0.00Å	1.54Å
C28	H52	sing	0.00Å	1.10Å
C29	O9	doub	0.00Å	1.23Å
C30	C31	sing	0.00Å	1.49Å
C30	H53	sing	0.00Å	1.10Å
C30	H54	sing	0.00Å	1.10Å
C31	C32	doub	0.00Å	1.38Å	Aromatic
C31	C33	sing	0.00Å	1.37Å	Aromatic
C32	C34	sing	0.00Å	1.41Å	Aromatic
C32	H55	sing	0.00Å	1.08Å
C33	C35	doub	0.00Å	1.38Å	Aromatic
C33	H56	sing	0.00Å	1.08Å
C34	C36	doub	0.00Å	1.32Å	Aromatic
C34	H57	sing	0.00Å	1.08Å
C35	C36	sing	0.00Å	1.38Å	Aromatic
C35	H58	sing	0.00Å	1.08Å
C36	O10	sing	0.00Å	1.39Å
O10	H59	sing	0.00Å	0.95Å
N11	C37	sing	0.00Å	1.48Å
N11	C41	sing	0.00Å	1.49Å
C37	C38	sing	0.00Å	1.52Å
C37	C39	sing	0.00Å	1.54Å
C37	H60	sing	0.00Å	1.10Å
C38	O11	doub	0.00Å	1.23Å
C39	C40	sing	0.00Å	1.48Å
C39	H61	sing	0.00Å	1.10Å
C39	H62	sing	0.00Å	1.10Å
C40	C41	sing	0.00Å	1.50Å
C40	H63	sing	0.00Å	1.10Å
C40	H64	sing	0.00Å	1.10Å
C41	H65	sing	0.00Å	1.10Å
C41	H66	sing	0.00Å	1.10Å
N12	C42	sing	0.00Å	1.45Å
N12	H67	sing	0.00Å	1.00Å
C42	C43	sing	0.00Å	1.50Å
C42	C44	sing	0.00Å	1.51Å
C42	H68	sing	0.00Å	1.10Å
C43	O12	doub	0.00Å	1.26Å
C44	O13	sing	0.00Å	1.45Å
C44	H69	sing	0.00Å	1.10Å
C44	H70	sing	0.00Å	1.10Å
N13	C45	sing	0.00Å	1.44Å
N13	H71	sing	0.00Å	1.00Å
C45	C46	sing	0.00Å	1.55Å
C45	C47	sing	0.00Å	1.53Å
C45	H72	sing	0.00Å	1.10Å
C46	O14	doub	0.00Å	1.23Å
C47	C48	sing	0.00Å	1.51Å
C47	H73	sing	0.00Å	1.10Å
C47	H74	sing	0.00Å	1.10Å
C48	O15	doub	0.00Å	1.20Å
N14	C49	sing	0.00Å	1.47Å
N14	H75	sing	0.00Å	1.00Å
C49	C50	sing	0.00Å	1.52Å
C49	C51	sing	0.00Å	1.51Å
C49	H76	sing	0.00Å	1.10Å
C50	O16	doub	0.00Å	1.24Å
C51	C52	sing	0.00Å	1.48Å
C51	H77	sing	0.00Å	1.10Å
C51	H78	sing	0.00Å	1.10Å
C52	C53	doub	0.00Å	1.36Å	Aromatic
C52	C54	sing	0.00Å	1.44Å	Aromatic
C53	N15	sing	0.00Å	1.36Å	Aromatic
C53	H79	sing	0.00Å	1.08Å
C54	C55	doub	0.00Å	1.40Å	Aromatic
C54	C56	sing	0.00Å	1.40Å	Aromatic
N15	C55	sing	0.00Å	1.37Å	Aromatic
N15	H80	sing	0.00Å	1.00Å
C55	C57	sing	0.00Å	1.39Å	Aromatic
C56	C58	doub	0.00Å	1.37Å	Aromatic
C56	H81	sing	0.00Å	1.08Å
C57	C59	doub	0.00Å	1.36Å	Aromatic
C57	H82	sing	0.00Å	1.08Å
C58	C59	sing	0.00Å	1.39Å	Aromatic
C58	H83	sing	0.00Å	1.08Å
C59	H84	sing	0.00Å	1.08Å
N16	C60	sing	0.00Å	1.46Å
N16	H85	sing	0.00Å	1.00Å
C60	C61	sing	0.00Å	1.53Å
C60	C62	sing	0.00Å	1.53Å
C60	H86	sing	0.00Å	1.10Å
C61	O17	doub	0.00Å	1.23Å
C62	C63	sing	0.00Å	1.52Å
C62	H87	sing	0.00Å	1.10Å
C62	H88	sing	0.00Å	1.10Å
C63	C64	sing	0.00Å	1.50Å
C63	H89	sing	0.00Å	1.10Å
C63	H90	sing	0.00Å	1.10Å
C64	O18	sing	0.00Å	1.22Å
O18	H91	sing	0.00Å	0.95Å
N17	C65	sing	0.00Å	1.46Å
N17	H92	sing	0.00Å	1.00Å
C65	C66	sing	0.00Å	1.53Å
C65	C67	sing	0.00Å	1.52Å
C65	H93	sing	0.00Å	1.10Å
C66	O19	doub	0.00Å	1.25Å
C67	C68	sing	0.00Å	1.50Å
C67	H94	sing	0.00Å	1.10Å
C67	H95	sing	0.00Å	1.10Å
C68	C69	sing	0.00Å	1.48Å
C68	H96	sing	0.00Å	1.10Å
C68	H97	sing	0.00Å	1.10Å
C69	O20	doub	0.00Å	1.22Å
N18	C70	sing	0.00Å	1.47Å
N18	H98	sing	0.00Å	1.00Å
C70	C71	sing	0.00Å	1.54Å
C70	C72	sing	0.00Å	1.52Å
C70	H99	sing	0.00Å	1.10Å
C71	O21	doub	0.00Å	1.26Å
C71	O22	sing	0.00Å	1.22Å
C72	C73	sing	0.00Å	1.54Å
C72	H100	sing	0.00Å	1.10Å
C72	H101	sing	0.00Å	1.10Å
C73	C74	doub	0.00Å	1.38Å	Aromatic
C73	C75	sing	0.00Å	1.42Å	Aromatic
C74	N19	sing	0.00Å	1.39Å	Aromatic
C74	H102	sing	0.00Å	1.08Å
C75	C76	doub	0.00Å	1.41Å	Aromatic
C75	C77	sing	0.00Å	1.40Å	Aromatic
N19	C76	sing	0.00Å	1.36Å	Aromatic
N19	H103	sing	0.00Å	1.00Å
C76	C78	sing	0.00Å	1.38Å	Aromatic
C77	C79	doub	0.00Å	1.37Å	Aromatic
C77	H104	sing	0.00Å	1.08Å
C78	C80	doub	0.00Å	1.38Å	Aromatic
C78	H105	sing	0.00Å	1.08Å
C79	C80	sing	0.00Å	1.39Å	Aromatic
C79	H106	sing	0.00Å	1.08Å
C80	H107	sing	0.00Å	1.08Å
O22	H108	sing	0.00Å	0.95Å
C1	N1	sing	0.00Å	1.32Å
C4	N2	sing	0.00Å	1.31Å
C10	N3	sing	0.00Å	1.32Å
C13	N4	sing	0.00Å	1.33Å
O6	C48	sing	0.00Å	1.29Å
C17	N8	sing	0.00Å	1.33Å
C23	N10	sing	0.00Å	1.35Å
N9	C69	sing	0.00Å	1.39Å
C29	N11	sing	0.00Å	1.37Å
C38	N12	sing	0.00Å	1.31Å
C43	N13	sing	0.00Å	1.33Å
O13	C64	sing	0.00Å	1.30Å
C46	N14	sing	0.00Å	1.32Å
C50	N16	sing	0.00Å	1.32Å
C61	N17	sing	0.00Å	1.32Å
C66	N18	sing	0.00Å	1.31Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	121.8°	90.0°
O1	C1	N1	121.7°	90.0°
C1	C2	H1	109.5°	90.0°
C1	C2	H2	109.5°	90.0°
C1	C2	H3	109.5°	90.0°
C2	C1	N1	116.6°	90.0°
H1	C2	H2	109.5°	90.0°
H1	C2	H3	109.5°	90.0°
H2	C2	H3	109.5°	90.0°
C3	N1	H4	119.5°	90.0°
N1	C3	C4	113.3°	90.0°
N1	C3	C5	113.0°	90.0°
N1	C3	H5	107.0°	90.0°
C3	N1	C1	121.0°	90.0°
H4	N1	C1	119.5°	90.0°
C4	C3	C5	110.9°	90.0°
C4	C3	H5	105.9°	90.0°
C3	C4	O2	119.0°	90.0°
C3	C4	N2	117.5°	90.0°
C5	C3	H5	106.1°	90.0°
C3	C5	C6	110.5°	90.0°
C3	C5	C7	109.9°	90.0°
C3	C5	H6	109.0°	90.0°
O2	C4	N2	123.5°	90.0°
C6	C5	C7	109.3°	90.0°
C6	C5	H6	109.1°	90.0°
C5	C6	C8	113.9°	90.0°
C5	C6	H7	108.4°	90.0°
C5	C6	H8	108.3°	90.0°
C7	C5	H6	109.0°	90.0°
C5	C7	H9	109.5°	90.0°
C5	C7	H10	109.5°	90.0°
C5	C7	H11	109.5°	90.0°
C8	C6	H7	108.3°	90.0°
C8	C6	H8	108.3°	90.0°
C6	C8	H12	109.5°	90.0°
C6	C8	H13	109.5°	90.0°
C6	C8	H14	109.5°	90.0°
H7	C6	H8	109.5°	90.0°
H9	C7	H10	109.5°	90.0°
H9	C7	H11	109.5°	90.0°
H10	C7	H11	109.4°	90.0°
H12	C8	H13	109.5°	90.0°
H12	C8	H14	109.5°	90.0°
H13	C8	H14	109.4°	90.0°
C9	N2	H15	119.3°	90.0°
N2	C9	C10	113.4°	90.0°
N2	C9	C11	111.4°	90.0°
N2	C9	H16	108.6°	90.0°
C9	N2	C4	121.3°	90.0°
H15	N2	C4	119.3°	90.0°
C10	C9	C11	108.3°	90.0°
C10	C9	H16	107.6°	90.0°
C9	C10	O3	119.4°	90.0°
C9	C10	N3	118.4°	90.0°
C11	C9	H16	107.4°	90.0°
C9	C11	O4	112.9°	90.0°
C9	C11	H17	108.6°	90.0°
C9	C11	H18	108.6°	90.0°
O3	C10	N3	122.2°	90.0°
O4	C11	H17	108.6°	90.0°
O4	C11	H18	108.6°	90.0°
C11	O4	H19	109.5°	90.0°
H17	C11	H18	109.5°	90.0°
C12	N3	H20	119.7°	90.0°
N3	C12	C13	111.9°	90.0°
N3	C12	C14	110.9°	90.0°
N3	C12	H21	107.6°	90.0°
C12	N3	C10	120.6°	90.0°
H20	N3	C10	119.7°	90.0°
C13	C12	C14	112.4°	90.0°
C13	C12	H21	107.0°	90.0°
C12	C13	O5	122.9°	90.0°
C12	C13	N4	115.0°	90.0°
C14	C12	H21	106.7°	90.0°
C12	C14	O6	108.9°	90.0°
C12	C14	C15	112.9°	90.0°
C12	C14	H22	108.5°	90.0°
O5	C13	N4	122.0°	90.0°
O6	C14	C15	108.1°	90.0°
O6	C14	H22	109.6°	90.0°
C14	O6	C48	122.5°	90.0°
C15	C14	H22	108.8°	90.0°
C14	C15	H23	109.5°	90.0°
C14	C15	H24	109.5°	90.0°
C14	C15	H25	109.5°	90.0°
H23	C15	H24	109.5°	90.0°
H23	C15	H25	109.4°	90.0°
H24	C15	H25	109.5°	90.0°
C16	N4	H26	118.3°	90.0°
N4	C16	C17	117.4°	90.0°
N4	C16	C18	107.9°	90.0°
N4	C16	H27	106.2°	90.0°
C16	N4	C13	123.3°	90.0°
H26	N4	C13	118.3°	90.0°
C17	C16	C18	114.0°	90.0°
C17	C16	H27	105.3°	90.0°
C16	C17	O7	121.7°	90.0°
C16	C17	N8	114.6°	90.0°
C18	C16	H27	105.1°	90.0°
C16	C18	C19	109.8°	90.0°
C16	C18	H28	109.4°	90.0°
C16	C18	H29	109.4°	90.0°
O7	C17	N8	123.1°	90.0°
C19	C18	H28	109.4°	90.0°
C19	C18	H29	109.4°	90.0°
C18	C19	C20	115.5°	90.0°
C18	C19	H30	108.0°	90.0°
C18	C19	H31	107.9°	90.0°
H28	C18	H29	109.5°	90.0°
C20	C19	H30	107.9°	90.0°
C20	C19	H31	108.0°	90.0°
C19	C20	N5	108.8°	90.0°
C19	C20	H32	109.6°	90.0°
C19	C20	H33	109.6°	90.0°
H30	C19	H31	109.5°	90.0°
N5	C20	H32	109.6°	90.0°
N5	C20	H33	109.6°	90.0°
C20	N5	C21	125.1°	90.0°
C20	N5	H34	117.5°	90.0°
H32	C20	H33	109.5°	90.0°
C21	N5	H34	117.5°	90.0°
N5	C21	N6	118.8°	90.0°
N5	C21	N7	121.0°	90.0°
N6	C21	N7	120.1°	90.0°
C21	N6	H35	120.0°	90.0°
C21	N6	H36	120.0°	90.0°
C21	N7	H37	120.0°	90.0°
C21	N7	H38	120.0°	90.0°
H35	N6	H36	120.0°	90.0°
H37	N7	H38	120.0°	90.0°
C22	N8	H39	119.2°	90.0°
N8	C22	C23	110.9°	90.0°
N8	C22	C24	106.9°	90.0°
N8	C22	H40	109.1°	90.0°
C22	N8	C17	121.7°	90.0°
H39	N8	C17	119.2°	90.0°
C23	C22	C24	112.9°	90.0°
C23	C22	H40	108.7°	90.0°
C22	C23	O8	120.4°	90.0°
C22	C23	N10	115.6°	90.0°
C24	C22	H40	108.2°	90.0°
C22	C24	C25	116.7°	90.0°
C22	C24	H41	107.6°	90.0°
C22	C24	H42	107.6°	90.0°
O8	C23	N10	124.0°	90.0°
C25	C24	H41	107.6°	90.0°
C25	C24	H42	107.6°	90.0°
C24	C25	C26	113.7°	90.0°
C24	C25	H43	108.4°	90.0°
C24	C25	H44	108.4°	90.0°
H41	C24	H42	109.5°	90.0°
C26	C25	H43	108.4°	90.0°
C26	C25	H44	108.4°	90.0°
C25	C26	C27	114.9°	90.0°
C25	C26	H45	108.1°	90.0°
C25	C26	H46	108.1°	90.0°
H43	C25	H44	109.5°	90.0°
C27	C26	H45	108.1°	90.0°
C27	C26	H46	108.1°	90.0°
C26	C27	N9	113.3°	90.0°
C26	C27	H47	108.5°	90.0°
C26	C27	H48	108.5°	90.0°
H45	C26	H46	109.5°	90.0°
N9	C27	H47	108.5°	90.0°
N9	C27	H48	108.5°	90.0°
C27	N9	H49	107.2°	90.0°
C27	N9	H50	107.2°	90.0°
C27	N9	C69	118.4°	90.0°
H47	C27	H48	109.5°	90.0°
H49	N9	H50	109.5°	90.0°
H49	N9	C69	107.2°	90.0°
H50	N9	C69	107.2°	90.0°
C28	N10	H51	119.9°	90.0°
N10	C28	C29	109.3°	90.0°
N10	C28	C30	110.9°	90.0°
N10	C28	H52	110.5°	90.0°
C28	N10	C23	120.3°	90.0°
H51	N10	C23	119.9°	90.0°
C29	C28	C30	107.9°	90.0°
C29	C28	H52	109.0°	90.0°
C28	C29	O9	120.2°	90.0°
C28	C29	N11	115.7°	90.0°
C30	C28	H52	109.2°	90.0°
C28	C30	C31	112.8°	90.0°
C28	C30	H53	108.6°	90.0°
C28	C30	H54	108.6°	90.0°
O9	C29	N11	124.1°	90.0°
C31	C30	H53	108.6°	90.0°
C31	C30	H54	108.6°	90.0°
C30	C31	C32	123.0°	90.0°
C30	C31	C33	121.6°	90.0°
H53	C30	H54	109.5°	90.0°
C32	C31	C33	115.4°	90.0°
C31	C32	C34	122.1°	90.0°
C31	C32	H55	118.9°	90.0°
C31	C33	C35	123.5°	90.0°
C31	C33	H56	118.2°	90.0°
C34	C32	H55	119.0°	90.0°
C32	C34	C36	119.4°	90.0°
C32	C34	H57	120.3°	90.0°
C35	C33	H56	118.3°	90.0°
C33	C35	C36	118.6°	90.0°
C33	C35	H58	120.7°	90.0°
C36	C34	H57	120.3°	90.0°
C34	C36	C35	120.8°	90.0°
C34	C36	O10	122.6°	90.0°
C36	C35	H58	120.7°	90.0°
C35	C36	O10	116.5°	90.0°
C36	O10	H59	109.5°	90.0°
C37	N11	C41	112.0°	90.0°
N11	C37	C38	112.8°	90.0°
N11	C37	C39	103.7°	90.0°
N11	C37	H60	110.0°	90.0°
C37	N11	C29	128.2°	90.0°
N11	C41	C40	102.7°	90.0°
N11	C41	H65	111.1°	90.0°
N11	C41	H66	111.1°	90.0°
C41	N11	C29	119.2°	90.0°
C38	C37	C39	111.6°	90.0°
C38	C37	H60	109.3°	90.0°
C37	C38	O11	119.7°	90.0°
C37	C38	N12	115.8°	90.0°
C39	C37	H60	109.1°	90.0°
C37	C39	C40	103.8°	90.0°
C37	C39	H61	110.8°	90.0°
C37	C39	H62	110.9°	90.0°
O11	C38	N12	124.4°	90.0°
C40	C39	H61	110.9°	90.0°
C40	C39	H62	110.9°	90.0°
C39	C40	C41	108.0°	90.0°
C39	C40	H63	109.8°	90.0°
C39	C40	H64	109.9°	90.0°
H61	C39	H62	109.5°	90.0°
C41	C40	H63	109.8°	90.0°
C41	C40	H64	109.8°	90.0°
C40	C41	H65	111.1°	90.0°
C40	C41	H66	111.1°	90.0°
H63	C40	H64	109.5°	90.0°
H65	C41	H66	109.5°	90.0°
C42	N12	H67	117.5°	90.0°
N12	C42	C43	107.9°	90.0°
N12	C42	C44	111.7°	90.0°
N12	C42	H68	109.5°	90.0°
C42	N12	C38	125.0°	90.0°
H67	N12	C38	117.5°	90.0°
C43	C42	C44	110.3°	90.0°
C43	C42	H68	108.8°	90.0°
C42	C43	O12	120.8°	90.0°
C42	C43	N13	116.7°	90.0°
C44	C42	H68	108.7°	90.0°
C42	C44	O13	107.8°	90.0°
C42	C44	H69	109.9°	90.0°
C42	C44	H70	109.9°	90.0°
O12	C43	N13	122.4°	90.0°
O13	C44	H69	109.9°	90.0°
O13	C44	H70	109.9°	90.0°
C44	O13	C64	118.8°	90.0°
H69	C44	H70	109.4°	90.0°
C45	N13	H71	119.2°	90.0°
N13	C45	C46	110.1°	90.0°
N13	C45	C47	110.0°	90.0°
N13	C45	H72	110.0°	90.0°
C45	N13	C43	121.7°	90.0°
H71	N13	C43	119.1°	90.0°
C46	C45	C47	109.4°	90.0°
C46	C45	H72	108.5°	90.0°
C45	C46	O14	120.2°	90.0°
C45	C46	N14	116.8°	90.0°
C47	C45	H72	108.7°	90.0°
C45	C47	C48	112.3°	90.0°
C45	C47	H73	108.8°	90.0°
C45	C47	H74	108.8°	90.0°
O14	C46	N14	122.9°	90.0°
C48	C47	H73	108.8°	90.0°
C48	C47	H74	108.8°	90.0°
C47	C48	O15	125.8°	90.0°
C47	C48	O6	111.8°	90.0°
H73	C47	H74	109.5°	90.0°
O15	C48	O6	122.4°	90.0°
C49	N14	H75	118.7°	90.0°
N14	C49	C50	111.0°	90.0°
N14	C49	C51	111.4°	90.0°
N14	C49	H76	108.2°	90.0°
C49	N14	C46	122.7°	90.0°
H75	N14	C46	118.7°	90.0°
C50	C49	C51	111.0°	90.0°
C50	C49	H76	107.5°	90.0°
C49	C50	O16	119.5°	90.0°
C49	C50	N16	117.5°	90.0°
C51	C49	H76	107.6°	90.0°
C49	C51	C52	115.7°	90.0°
C49	C51	H77	107.9°	90.0°
C49	C51	H78	107.9°	90.0°
O16	C50	N16	122.9°	90.0°
C52	C51	H77	107.9°	90.0°
C52	C51	H78	107.9°	90.0°
C51	C52	C53	127.6°	90.0°
C51	C52	C54	126.5°	90.0°
H77	C51	H78	109.4°	90.0°
C53	C52	C54	105.9°	90.0°
C52	C53	N15	110.3°	90.0°
C52	C53	H79	124.9°	90.0°
C52	C54	C55	107.3°	90.0°
C52	C54	C56	133.9°	90.0°
N15	C53	H79	124.9°	90.0°
C53	N15	C55	109.2°	90.0°
C53	N15	H80	125.4°	90.0°
C55	C54	C56	118.7°	90.0°
C54	C55	N15	107.2°	90.0°
C54	C55	C57	122.4°	90.0°
C54	C56	C58	118.4°	90.0°
C54	C56	H81	120.8°	90.0°
C55	N15	H80	125.4°	90.0°
N15	C55	C57	130.4°	90.0°
C55	C57	C59	117.3°	90.0°
C55	C57	H82	121.3°	90.0°
C58	C56	H81	120.8°	90.0°
C56	C58	C59	121.6°	90.0°
C56	C58	H83	119.2°	90.0°
C59	C57	H82	121.3°	90.0°
C57	C59	C58	121.5°	90.0°
C57	C59	H84	119.2°	90.0°
C59	C58	H83	119.2°	90.0°
C58	C59	H84	119.3°	90.0°
C60	N16	H85	120.1°	90.0°
N16	C60	C61	111.7°	90.0°
N16	C60	C62	110.0°	90.0°
N16	C60	H86	108.1°	90.0°
C60	N16	C50	119.9°	90.0°
H85	N16	C50	120.1°	90.0°
C61	C60	C62	112.4°	90.0°
C61	C60	H86	107.2°	90.0°
C60	C61	O17	118.6°	90.0°
C60	C61	N17	119.6°	90.0°
C62	C60	H86	107.3°	90.0°
C60	C62	C63	116.8°	90.0°
C60	C62	H87	107.6°	90.0°
C60	C62	H88	107.6°	90.0°
O17	C61	N17	121.8°	90.0°
C63	C62	H87	107.6°	90.0°
C63	C62	H88	107.6°	90.0°
C62	C63	C64	114.6°	90.0°
C62	C63	H89	108.2°	90.0°
C62	C63	H90	108.2°	90.0°
H87	C62	H88	109.5°	90.0°
C64	C63	H89	108.1°	90.0°
C64	C63	H90	108.2°	90.0°
C63	C64	O18	120.5°	90.0°
C63	C64	O13	115.9°	90.0°
H89	C63	H90	109.5°	90.0°
C64	O18	H91	109.5°	90.0°
O18	C64	O13	123.5°	90.0°
C65	N17	H92	118.2°	90.0°
N17	C65	C66	113.9°	90.0°
N17	C65	C67	109.5°	90.0°
N17	C65	H93	109.1°	90.0°
C65	N17	C61	123.5°	90.0°
H92	N17	C61	118.3°	90.0°
C66	C65	C67	107.6°	90.0°
C66	C65	H93	108.3°	90.0°
C65	C66	O19	120.6°	90.0°
C65	C66	N18	117.4°	90.0°
C67	C65	H93	108.3°	90.0°
C65	C67	C68	113.9°	90.0°
C65	C67	H94	108.3°	90.0°
C65	C67	H95	108.4°	90.0°
O19	C66	N18	121.9°	90.0°
C68	C67	H94	108.3°	90.0°
C68	C67	H95	108.3°	90.0°
C67	C68	C69	111.0°	90.0°
C67	C68	H96	109.1°	90.0°
C67	C68	H97	109.1°	90.0°
H94	C67	H95	109.5°	90.0°
C69	C68	H96	109.1°	90.0°
C69	C68	H97	109.1°	90.0°
C68	C69	O20	123.7°	90.0°
C68	C69	N9	114.1°	90.0°
H96	C68	H97	109.4°	90.0°
O20	C69	N9	121.2°	90.0°
C70	N18	H98	120.4°	90.0°
N18	C70	C71	115.2°	90.0°
N18	C70	C72	108.2°	90.0°
N18	C70	H99	108.2°	90.0°
C70	N18	C66	119.2°	90.0°
H98	N18	C66	120.4°	90.0°
C71	C70	C72	109.9°	90.0°
C71	C70	H99	107.4°	90.0°
C70	C71	O21	119.9°	90.0°
C70	C71	O22	120.8°	90.0°
C72	C70	H99	107.7°	90.0°
C70	C72	C73	116.0°	90.0°
C70	C72	H100	107.8°	90.0°
C70	C72	H101	107.8°	90.0°
O21	C71	O22	119.3°	90.0°
C71	O22	H108	109.5°	90.0°
C73	C72	H100	107.8°	90.0°
C73	C72	H101	107.8°	90.0°
C72	C73	C74	127.7°	90.0°
C72	C73	C75	126.5°	90.0°
H100	C72	H101	109.4°	90.0°
C74	C73	C75	105.8°	90.0°
C73	C74	N19	109.7°	90.0°
C73	C74	H102	125.1°	90.0°
C73	C75	C76	108.0°	90.0°
C73	C75	C77	133.0°	90.0°
N19	C74	H102	125.2°	90.0°
C74	N19	C76	108.5°	90.0°
C74	N19	H103	125.7°	90.0°
C76	C75	C77	119.0°	90.0°
C75	C76	N19	107.9°	90.0°
C75	C76	C78	122.0°	90.0°
C75	C77	C79	119.2°	90.0°
C75	C77	H104	120.4°	90.0°
C76	N19	H103	125.7°	90.0°
N19	C76	C78	130.0°	90.0°
C76	C78	C80	117.4°	90.0°
C76	C78	H105	121.3°	90.0°
C79	C77	H104	120.4°	90.0°
C77	C79	C80	120.6°	90.0°
C77	C79	H106	119.7°	90.0°
C80	C78	H105	121.3°	90.0°
C78	C80	C79	121.7°	90.0°
C78	C80	H107	119.1°	90.0°
C80	C79	H106	119.7°	90.0°
C79	C80	H107	119.1°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	N1	178.6°	90.0°
O1	C1	C2	H1	0.0°	90.0°
O1	C1	C2	H2	120.0°	90.0°
O1	C1	C2	H3	120.0°	90.0°
O1	C1	N1	C3	0.6°	90.0°
O1	C1	N1	H4	179.4°	90.0°
C1	C2	H1	H2	120.0°	90.0°
C1	C2	H1	H3	120.0°	90.0°
C1	C2	H2	H3	120.0°	90.0°
C2	C1	N1	C3	177.9°	90.0°
C2	C1	N1	H4	2.1°	90.0°
H1	C2	H2	H3	120.0°	90.0°
H1	C2	C1	N1	178.6°	90.0°
H2	C2	C1	N1	61.4°	90.0°
H3	C2	C1	N1	58.5°	90.0°
C3	N1	H4	C1	180.0°	90.0°
N1	C3	C4	C5	128.3°	90.0°
N1	C3	C4	H5	117.1°	90.0°
N1	C3	C5	H5	116.9°	90.0°
N1	C3	C4	O2	177.0°	90.0°
N1	C3	C5	C6	62.0°	90.0°
N1	C3	C5	C7	58.7°	90.0°
N1	C3	C5	H6	178.1°	90.0°
N1	C3	C4	N2	1.6°	90.0°
H4	N1	C3	C4	83.7°	90.0°
H4	N1	C3	C5	43.5°	90.0°
H4	N1	C3	H5	159.9°	90.0°
C4	C3	C5	H5	114.6°	90.0°
C3	C4	O2	N2	178.5°	90.0°
C4	C3	C5	C6	66.5°	90.0°
C4	C3	C5	C7	172.8°	90.0°
C4	C3	C5	H6	53.4°	90.0°
C3	C4	N2	C9	171.9°	90.0°
C3	C4	N2	H15	8.0°	90.0°
C4	C3	N1	C1	96.3°	90.0°
C5	C3	C4	O2	54.7°	90.0°
C3	C5	C6	C7	121.0°	90.0°
C3	C5	C6	H6	119.8°	90.0°
C3	C5	C7	H6	119.4°	90.0°
C3	C5	C6	C8	164.5°	90.0°
C3	C5	C6	H7	74.8°	90.0°
C3	C5	C6	H8	43.9°	90.0°
C3	C5	C7	H9	180.0°	90.0°
C3	C5	C7	H10	60.0°	90.0°
C3	C5	C7	H11	60.0°	90.0°
C5	C3	N1	C1	136.5°	90.0°
C5	C3	C4	N2	126.7°	90.0°
H5	C3	C4	O2	59.9°	90.0°
H5	C3	C5	C6	178.9°	90.0°
H5	C3	C5	C7	58.2°	90.0°
H5	C3	C5	H6	61.2°	90.0°
H5	C3	N1	C1	20.1°	90.0°
H5	C3	C4	N2	118.7°	90.0°
O2	C4	N2	C9	9.5°	90.0°
O2	C4	N2	H15	170.5°	90.0°
C6	C5	C7	H6	119.2°	90.0°
C5	C6	C8	H7	120.7°	90.0°
C5	C6	C8	H8	120.6°	90.0°
C5	C6	H7	H8	118.0°	90.0°
C6	C5	C7	H9	58.6°	90.0°
C6	C5	C7	H10	178.6°	90.0°
C6	C5	C7	H11	61.4°	90.0°
C5	C6	C8	H12	180.0°	90.0°
C5	C6	C8	H13	60.0°	90.0°
C5	C6	C8	H14	60.0°	90.0°
C7	C5	C6	C8	74.4°	90.0°
C7	C5	C6	H7	46.2°	90.0°
C7	C5	C6	H8	165.0°	90.0°
C5	C7	H9	H10	120.0°	90.0°
C5	C7	H9	H11	120.0°	90.0°
C5	C7	H10	H11	120.0°	90.0°
H6	C5	C6	C8	44.7°	90.0°
H6	C5	C6	H7	165.4°	90.0°
H6	C5	C6	H8	75.9°	90.0°
H6	C5	C7	H9	60.6°	90.0°
H6	C5	C7	H10	59.4°	90.0°
H6	C5	C7	H11	179.4°	90.0°
C8	C6	H7	H8	118.0°	90.0°
C6	C8	H12	H13	120.0°	90.0°
C6	C8	H12	H14	120.0°	90.0°
C6	C8	H13	H14	120.0°	90.0°
H7	C6	C8	H12	59.3°	90.0°
H7	C6	C8	H13	179.3°	90.0°
H7	C6	C8	H14	60.7°	90.0°
H8	C6	C8	H12	59.4°	90.0°
H8	C6	C8	H13	60.6°	90.0°
H8	C6	C8	H14	179.4°	90.0°
H9	C7	H10	H11	120.0°	90.0°
H12	C8	H13	H14	120.0°	90.0°
C9	N2	H15	C4	180.0°	90.0°
N2	C9	C10	C11	124.1°	90.0°
N2	C9	C10	H16	120.1°	90.0°
N2	C9	C11	H16	118.8°	90.0°
N2	C9	C10	O3	141.4°	90.0°
N2	C9	C11	O4	54.2°	90.0°
N2	C9	C11	H17	66.3°	90.0°
N2	C9	C11	H18	174.7°	90.0°
N2	C9	C10	N3	39.0°	90.0°
H15	N2	C9	C10	79.4°	90.0°
H15	N2	C9	C11	43.0°	90.0°
H15	N2	C9	H16	161.1°	90.0°
C10	C9	C11	H16	115.9°	90.0°
C9	C10	O3	N3	179.6°	90.0°
C10	C9	C11	O4	179.5°	90.0°
C10	C9	C11	H17	59.0°	90.0°
C10	C9	C11	H18	60.0°	90.0°
C9	C10	N3	C12	179.0°	90.0°
C9	C10	N3	H20	0.9°	90.0°
C10	C9	N2	C4	100.6°	90.0°
C11	C9	C10	O3	94.5°	90.0°
C9	C11	O4	H17	120.5°	90.0°
C9	C11	O4	H18	120.5°	90.0°
C9	C11	H17	H18	118.4°	90.0°
C9	C11	O4	H19	180.0°	90.0°
C11	C9	N2	C4	137.0°	90.0°
C11	C9	C10	N3	85.1°	90.0°
H16	C9	C10	O3	21.3°	90.0°
H16	C9	C11	O4	64.6°	90.0°
H16	C9	C11	H17	174.9°	90.0°
H16	C9	C11	H18	55.9°	90.0°
H16	C9	N2	C4	18.8°	90.0°
H16	C9	C10	N3	159.1°	90.0°
O3	C10	N3	C12	0.5°	90.0°
O3	C10	N3	H20	179.5°	90.0°
O4	C11	H17	H18	118.5°	90.0°
H17	C11	O4	H19	59.5°	90.0°
H18	C11	O4	H19	59.5°	90.0°
C12	N3	H20	C10	180.0°	90.0°
N3	C12	C13	C14	125.6°	90.0°
N3	C12	C13	H21	117.6°	90.0°
N3	C12	C14	H21	116.9°	90.0°
N3	C12	C13	O5	26.7°	90.0°
N3	C12	C14	O6	46.6°	90.0°
N3	C12	C14	C15	73.5°	90.0°
N3	C12	C14	H22	165.9°	90.0°
N3	C12	C13	N4	154.9°	90.0°
H20	N3	C12	C13	115.3°	90.0°
H20	N3	C12	C14	11.1°	90.0°
H20	N3	C12	H21	127.4°	90.0°
C13	C12	C14	H21	117.0°	90.0°
C12	C13	O5	N4	178.3°	90.0°
C13	C12	C14	O6	79.5°	90.0°
C13	C12	C14	C15	160.4°	90.0°
C13	C12	C14	H22	39.8°	90.0°
C12	C13	N4	C16	170.9°	90.0°
C12	C13	N4	H26	9.1°	90.0°
C13	C12	N3	C10	64.7°	90.0°
C14	C12	C13	O5	98.8°	90.0°
C12	C14	O6	C15	123.0°	90.0°
C12	C14	O6	H22	118.6°	90.0°
C12	C14	C15	H22	120.5°	90.0°
C12	C14	C15	H23	180.0°	90.0°
C12	C14	C15	H24	60.0°	90.0°
C12	C14	C15	H25	60.0°	90.0°
C14	C12	N3	C10	168.9°	90.0°
C14	C12	C13	N4	79.6°	90.0°
C12	C14	O6	C48	101.7°	90.0°
H21	C12	C13	O5	144.4°	90.0°
H21	C12	C14	O6	163.5°	90.0°
H21	C12	C14	C15	43.4°	90.0°
H21	C12	C14	H22	77.2°	90.0°
H21	C12	N3	C10	52.6°	90.0°
H21	C12	C13	N4	37.2°	90.0°
O5	C13	N4	C16	10.6°	90.0°
O5	C13	N4	H26	169.3°	90.0°
O6	C14	C15	H22	118.9°	90.0°
O6	C14	C15	H23	59.5°	90.0°
O6	C14	C15	H24	179.5°	90.0°
O6	C14	C15	H25	60.5°	90.0°
C14	O6	C48	C47	175.0°	90.0°
C14	O6	C48	O15	4.5°	90.0°
C14	C15	H23	H24	120.0°	90.0°
C14	C15	H23	H25	120.0°	90.0°
C14	C15	H24	H25	120.0°	90.0°
C15	C14	O6	C48	135.3°	90.0°
H22	C14	C15	H23	59.5°	90.0°
H22	C14	C15	H24	60.5°	90.0°
H22	C14	C15	H25	179.5°	90.0°
H22	C14	O6	C48	17.0°	90.0°
H23	C15	H24	H25	120.0°	90.0°
C16	N4	H26	C13	180.0°	90.0°
N4	C16	C17	C18	127.5°	90.0°
N4	C16	C17	H27	117.8°	90.0°
N4	C16	C18	H27	112.9°	90.0°
N4	C16	C17	O7	151.3°	90.0°
N4	C16	C18	C19	73.8°	90.0°
N4	C16	C18	H28	46.2°	90.0°
N4	C16	C18	H29	166.2°	90.0°
N4	C16	C17	N8	36.4°	90.0°
H26	N4	C16	C17	71.4°	90.0°
H26	N4	C16	C18	59.1°	90.0°
H26	N4	C16	H27	171.3°	90.0°
C17	C16	C18	H27	114.8°	90.0°
C16	C17	O7	N8	171.7°	90.0°
C17	C16	C18	C19	153.9°	90.0°
C17	C16	C18	H28	86.1°	90.0°
C17	C16	C18	H29	33.9°	90.0°
C16	C17	N8	C22	169.7°	90.0°
C16	C17	N8	H39	10.3°	90.0°
C17	C16	N4	C13	108.6°	90.0°
C18	C16	C17	O7	23.8°	90.0°
C16	C18	C19	H28	120.0°	90.0°
C16	C18	C19	H29	120.0°	90.0°
C16	C18	H28	H29	119.8°	90.0°
C16	C18	C19	C20	170.3°	90.0°
C16	C18	C19	H30	68.8°	90.0°
C16	C18	C19	H31	49.5°	90.0°
C18	C16	N4	C13	120.9°	90.0°
C18	C16	C17	N8	163.9°	90.0°
H27	C16	C17	O7	90.8°	90.0°
H27	C16	C18	C19	39.1°	90.0°
H27	C16	C18	H28	159.1°	90.0°
H27	C16	C18	H29	80.9°	90.0°
H27	C16	N4	C13	8.7°	90.0°
H27	C16	C17	N8	81.5°	90.0°
O7	C17	N8	C22	2.5°	90.0°
O7	C17	N8	H39	177.5°	90.0°
C19	C18	H28	H29	119.9°	90.0°
C18	C19	C20	H30	120.9°	90.0°
C18	C19	C20	H31	120.9°	90.0°
C18	C19	H30	H31	117.3°	90.0°
C18	C19	C20	N5	178.1°	90.0°
C18	C19	C20	H32	62.0°	90.0°
C18	C19	C20	H33	58.2°	90.0°
H28	C18	C19	C20	50.3°	90.0°
H28	C18	C19	H30	171.2°	90.0°
H28	C18	C19	H31	70.6°	90.0°
H29	C18	C19	C20	69.6°	90.0°
H29	C18	C19	H30	51.2°	90.0°
H29	C18	C19	H31	169.5°	90.0°
C20	C19	H30	H31	117.3°	90.0°
C19	C20	N5	H32	119.9°	90.0°
C19	C20	N5	H33	119.9°	90.0°
C19	C20	H32	H33	120.3°	90.0°
C19	C20	N5	C21	170.3°	90.0°
C19	C20	N5	H34	9.6°	90.0°
H30	C19	C20	N5	57.2°	90.0°
H30	C19	C20	H32	177.1°	90.0°
H30	C19	C20	H33	62.7°	90.0°
H31	C19	C20	N5	61.0°	90.0°
H31	C19	C20	H32	58.9°	90.0°
H31	C19	C20	H33	179.1°	90.0°
N5	C20	H32	H33	120.3°	90.0°
C20	N5	C21	H34	180.0°	90.0°
C20	N5	C21	N6	8.9°	90.0°
C20	N5	C21	N7	174.9°	90.0°
H32	C20	N5	C21	69.8°	90.0°
H32	C20	N5	H34	110.2°	90.0°
H33	C20	N5	C21	50.4°	90.0°
H33	C20	N5	H34	129.6°	90.0°
N5	C21	N6	N7	176.2°	90.0°
N5	C21	N6	H35	176.2°	90.0°
N5	C21	N6	H36	3.8°	90.0°
N5	C21	N7	H37	176.1°	90.0°
N5	C21	N7	H38	3.9°	90.0°
H34	N5	C21	N6	171.1°	90.0°
H34	N5	C21	N7	5.1°	90.0°
C21	N6	H35	H36	180.0°	90.0°
N6	C21	N7	H37	0.0°	90.0°
N6	C21	N7	H38	180.0°	90.0°
N7	C21	N6	H35	0.0°	90.0°
N7	C21	N6	H36	180.0°	90.0°
C21	N7	H37	H38	180.0°	90.0°
C22	N8	H39	C17	180.0°	90.0°
N8	C22	C23	C24	119.9°	90.0°
N8	C22	C23	H40	120.0°	90.0°
N8	C22	C24	H40	117.4°	90.0°
N8	C22	C23	O8	30.0°	90.0°
N8	C22	C24	C25	177.4°	90.0°
N8	C22	C24	H41	61.6°	90.0°
N8	C22	C24	H42	56.4°	90.0°
N8	C22	C23	N10	151.2°	90.0°
H39	N8	C22	C23	98.8°	90.0°
H39	N8	C22	C24	24.6°	90.0°
H39	N8	C22	H40	141.4°	90.0°
C23	C22	C24	H40	120.4°	90.0°
C22	C23	O8	N10	178.7°	90.0°
C23	C22	C24	C25	55.2°	90.0°
C23	C22	C24	H41	176.2°	90.0°
C23	C22	C24	H42	65.8°	90.0°
C22	C23	N10	C28	171.9°	90.0°
C22	C23	N10	H51	8.1°	90.0°
C23	C22	N8	C17	81.2°	90.0°
C24	C22	C23	O8	89.9°	90.0°
C22	C24	C25	H41	121.0°	90.0°
C22	C24	C25	H42	121.0°	90.0°
C22	C24	H41	H42	116.7°	90.0°
C22	C24	C25	C26	161.8°	90.0°
C22	C24	C25	H43	77.6°	90.0°
C22	C24	C25	H44	41.1°	90.0°
C24	C22	N8	C17	155.4°	90.0°
C24	C22	C23	N10	88.9°	90.0°
H40	C22	C23	O8	150.0°	90.0°
H40	C22	C24	C25	65.2°	90.0°
H40	C22	C24	H41	55.8°	90.0°
H40	C22	C24	H42	173.8°	90.0°
H40	C22	N8	C17	38.6°	90.0°
H40	C22	C23	N10	31.3°	90.0°
O8	C23	N10	C28	6.8°	90.0°
O8	C23	N10	H51	173.2°	90.0°
C25	C24	H41	H42	116.7°	90.0°
C24	C25	C26	H43	120.6°	90.0°
C24	C25	C26	H44	120.6°	90.0°
C24	C25	H43	H44	118.1°	90.0°
C24	C25	C26	C27	60.5°	90.0°
C24	C25	C26	H45	178.7°	90.0°
C24	C25	C26	H46	60.2°	90.0°
H41	C24	C25	C26	40.7°	90.0°
H41	C24	C25	H43	161.4°	90.0°
H41	C24	C25	H44	79.9°	90.0°
H42	C24	C25	C26	77.2°	90.0°
H42	C24	C25	H43	43.4°	90.0°
H42	C24	C25	H44	162.2°	90.0°
C26	C25	H43	H44	118.1°	90.0°
C25	C26	C27	H45	120.8°	90.0°
C25	C26	C27	H46	120.8°	90.0°
C25	C26	H45	H46	117.5°	90.0°
C25	C26	C27	N9	66.8°	90.0°
C25	C26	C27	H47	172.7°	90.0°
C25	C26	C27	H48	53.8°	90.0°
H43	C25	C26	C27	60.1°	90.0°
H43	C25	C26	H45	60.7°	90.0°
H43	C25	C26	H46	179.1°	90.0°
H44	C25	C26	C27	178.8°	90.0°
H44	C25	C26	H45	58.0°	90.0°
H44	C25	C26	H46	60.4°	90.0°
C27	C26	H45	H46	117.6°	90.0°
C26	C27	N9	H47	120.6°	90.0°
C26	C27	N9	H48	120.6°	90.0°
C26	C27	H47	H48	118.3°	90.0°
C26	C27	N9	H49	150.0°	90.0°
C26	C27	N9	H50	32.5°	90.0°
C26	C27	N9	C69	88.8°	90.0°
H45	C26	C27	N9	54.0°	90.0°
H45	C26	C27	H47	66.5°	90.0°
H45	C26	C27	H48	174.6°	90.0°
H46	C26	C27	N9	172.4°	90.0°
H46	C26	C27	H47	51.9°	90.0°
H46	C26	C27	H48	67.0°	90.0°
N9	C27	H47	H48	118.3°	90.0°
C27	N9	H49	H50	116.0°	90.0°
C27	N9	H49	C69	128.1°	90.0°
C27	N9	H50	C69	128.1°	90.0°
C27	N9	C69	C68	171.3°	90.0°
C27	N9	C69	O20	2.6°	90.0°
H47	C27	N9	H49	89.5°	90.0°
H47	C27	N9	H50	153.0°	90.0°
H47	C27	N9	C69	31.8°	90.0°
H48	C27	N9	H49	29.4°	90.0°
H48	C27	N9	H50	88.1°	90.0°
H48	C27	N9	C69	150.6°	90.0°
H49	N9	H50	C69	115.9°	90.0°
H49	N9	C69	C68	50.0°	90.0°
H49	N9	C69	O20	118.7°	90.0°
H50	N9	C69	C68	67.4°	90.0°
H50	N9	C69	O20	123.9°	90.0°
C28	N10	H51	C23	180.0°	90.0°
N10	C28	C29	C30	120.6°	90.0°
N10	C28	C29	H52	120.9°	90.0°
N10	C28	C30	H52	122.0°	90.0°
N10	C28	C29	O9	44.2°	90.0°
N10	C28	C30	C31	168.1°	90.0°
N10	C28	C30	H53	71.4°	90.0°
N10	C28	C30	H54	47.6°	90.0°
N10	C28	C29	N11	136.9°	90.0°
H51	N10	C28	C29	86.9°	90.0°
H51	N10	C28	C30	31.9°	90.0°
H51	N10	C28	H52	153.2°	90.0°
C29	C28	C30	H52	118.3°	90.0°
C28	C29	O9	N11	178.9°	90.0°
C29	C28	C30	C31	48.4°	90.0°
C29	C28	C30	H53	168.9°	90.0°
C29	C28	C30	H54	72.0°	90.0°
C28	C29	N11	C37	0.6°	90.0°
C28	C29	N11	C41	170.3°	90.0°
C29	C28	N10	C23	93.2°	90.0°
C30	C28	C29	O9	76.5°	90.0°
C28	C30	C31	H53	120.5°	90.0°
C28	C30	C31	H54	120.5°	90.0°
C28	C30	H53	H54	118.5°	90.0°
C28	C30	C31	C32	88.5°	90.0°
C28	C30	C31	C33	91.2°	90.0°
C30	C28	N10	C23	148.0°	90.0°
C30	C28	C29	N11	102.5°	90.0°
H52	C28	C29	O9	165.0°	90.0°
H52	C28	C30	C31	69.9°	90.0°
H52	C28	C30	H53	50.6°	90.0°
H52	C28	C30	H54	169.6°	90.0°
H52	C28	N10	C23	26.8°	90.0°
H52	C28	C29	N11	16.0°	90.0°
O9	C29	N11	C37	179.5°	90.0°
O9	C29	N11	C41	8.6°	90.0°
C31	C30	H53	H54	118.5°	90.0°
C30	C31	C32	C33	179.7°	90.0°
C30	C31	C32	C34	176.6°	90.0°
C30	C31	C32	H55	3.4°	90.0°
C30	C31	C33	C35	177.4°	90.0°
C30	C31	C33	H56	2.6°	90.0°
H53	C30	C31	C32	151.0°	90.0°
H53	C30	C31	C33	29.3°	90.0°
H54	C30	C31	C32	32.0°	90.0°
H54	C30	C31	C33	148.4°	90.0°
C31	C32	C34	H55	180.0°	90.0°
C32	C31	C33	C35	2.3°	90.0°
C32	C31	C33	H56	177.7°	90.0°
C31	C32	C34	C36	2.0°	90.0°
C31	C32	C34	H57	178.0°	90.0°
C33	C31	C32	C34	3.1°	90.0°
C33	C31	C32	H55	176.9°	90.0°
C31	C33	C35	H56	180.0°	90.0°
C31	C33	C35	C36	0.4°	90.0°
C31	C33	C35	H58	179.6°	90.0°
C32	C34	C36	H57	180.0°	90.0°
C32	C34	C36	C35	0.1°	90.0°
C32	C34	C36	O10	178.9°	90.0°
H55	C32	C34	C36	178.0°	90.0°
H55	C32	C34	H57	2.0°	90.0°
C33	C35	C36	C34	0.9°	90.0°
C33	C35	C36	H58	180.0°	90.0°
C33	C35	C36	O10	179.7°	90.0°
H56	C33	C35	C36	179.6°	90.0°
H56	C33	C35	H58	0.4°	90.0°
C34	C36	C35	O10	178.9°	90.0°
C34	C36	C35	H58	179.1°	90.0°
C34	C36	O10	H59	180.0°	90.0°
H57	C34	C36	C35	179.9°	90.0°
H57	C34	C36	O10	1.1°	90.0°
C35	C36	O10	H59	1.2°	90.0°
H58	C35	C36	O10	0.3°	90.0°
C37	N11	C41	C29	172.3°	90.0°
N11	C37	C38	C39	116.4°	90.0°
N11	C37	C38	H60	122.8°	90.0°
N11	C37	C39	H60	117.2°	90.0°
N11	C37	C38	O11	155.3°	90.0°
N11	C37	C39	C40	25.4°	90.0°
N11	C37	C39	H61	144.5°	90.0°
N11	C37	C39	H62	93.7°	90.0°
C37	N11	C41	C40	8.8°	90.0°
C37	N11	C41	H65	110.1°	90.0°
C37	N11	C41	H66	127.7°	90.0°
N11	C37	C38	N12	27.5°	90.0°
C41	N11	C37	C38	110.7°	90.0°
C41	N11	C37	C39	10.3°	90.0°
C41	N11	C37	H60	126.9°	90.0°
N11	C41	C40	C39	25.6°	90.0°
N11	C41	C40	H65	118.9°	90.0°
N11	C41	C40	H66	118.9°	90.0°
N11	C41	C40	H63	94.2°	90.0°
N11	C41	C40	H64	145.4°	90.0°
N11	C41	H65	H66	123.1°	90.0°
C38	C37	C39	H60	121.0°	90.0°
C37	C38	O11	N12	176.9°	90.0°
C38	C37	C39	C40	96.4°	90.0°
C38	C37	C39	H61	22.7°	90.0°
C38	C37	C39	H62	144.5°	90.0°
C37	C38	N12	C42	176.7°	90.0°
C37	C38	N12	H67	3.3°	90.0°
C38	C37	N11	C29	77.9°	90.0°
C39	C37	C38	O11	88.3°	90.0°
C37	C39	C40	H61	119.1°	90.0°
C37	C39	C40	H62	119.1°	90.0°
C37	C39	H61	H62	122.6°	90.0°
C37	C39	C40	C41	32.3°	90.0°
C37	C39	C40	H63	87.5°	90.0°
C37	C39	C40	H64	152.0°	90.0°
C39	C37	N11	C29	161.2°	90.0°
C39	C37	C38	N12	88.9°	90.0°
H60	C37	C38	O11	32.5°	90.0°
H60	C37	C39	C40	142.6°	90.0°
H60	C37	C39	H61	98.3°	90.0°
H60	C37	C39	H62	23.5°	90.0°
H60	C37	N11	C29	44.6°	90.0°
H60	C37	C38	N12	150.3°	90.0°
O11	C38	N12	C42	6.2°	90.0°
O11	C38	N12	H67	173.8°	90.0°
C40	C39	H61	H62	122.6°	90.0°
C39	C40	C41	H63	119.8°	90.0°
C39	C40	C41	H64	119.8°	90.0°
C39	C40	H63	H64	120.7°	90.0°
C39	C40	C41	H65	93.3°	90.0°
C39	C40	C41	H66	144.5°	90.0°
H61	C39	C40	C41	151.3°	90.0°
H61	C39	C40	H63	31.6°	90.0°
H61	C39	C40	H64	88.9°	90.0°
H62	C39	C40	C41	86.9°	90.0°
H62	C39	C40	H63	153.4°	90.0°
H62	C39	C40	H64	32.9°	90.0°
C41	C40	H63	H64	120.6°	90.0°
C40	C41	H65	H66	123.2°	90.0°
C40	C41	N11	C29	178.9°	90.0°
H63	C40	C41	H65	146.9°	90.0°
H63	C40	C41	H66	24.7°	90.0°
H64	C40	C41	H65	26.5°	90.0°
H64	C40	C41	H66	95.7°	90.0°
H65	C41	N11	C29	62.2°	90.0°
H66	C41	N11	C29	60.0°	90.0°
C42	N12	H67	C38	180.0°	90.0°
N12	C42	C43	C44	122.2°	90.0°
N12	C42	C43	H68	118.7°	90.0°
N12	C42	C44	H68	120.8°	90.0°
N12	C42	C43	O12	5.5°	90.0°
N12	C42	C44	O13	61.2°	90.0°
N12	C42	C44	H69	179.1°	90.0°
N12	C42	C44	H70	58.6°	90.0°
N12	C42	C43	N13	171.4°	90.0°
H67	N12	C42	C43	12.8°	90.0°
H67	N12	C42	C44	108.6°	90.0°
H67	N12	C42	H68	131.0°	90.0°
C43	C42	C44	H68	119.1°	90.0°
C42	C43	O12	N13	176.6°	90.0°
C43	C42	C44	O13	58.8°	90.0°
C43	C42	C44	H69	60.9°	90.0°
C43	C42	C44	H70	178.6°	90.0°
C42	C43	N13	C45	173.4°	90.0°
C42	C43	N13	H71	6.6°	90.0°
C43	C42	N12	C38	167.2°	90.0°
C44	C42	C43	O12	116.8°	90.0°
C42	C44	O13	H69	119.7°	90.0°
C42	C44	O13	H70	119.8°	90.0°
C42	C44	H69	H70	120.8°	90.0°
C44	C42	N12	C38	71.4°	90.0°
C44	C42	C43	N13	66.4°	90.0°
C42	C44	O13	C64	108.7°	90.0°
H68	C42	C43	O12	124.1°	90.0°
H68	C42	C44	O13	178.0°	90.0°
H68	C42	C44	H69	58.2°	90.0°
H68	C42	C44	H70	62.3°	90.0°
H68	C42	N12	C38	49.0°	90.0°
H68	C42	C43	N13	52.7°	90.0°
O12	C43	N13	C45	9.8°	90.0°
O12	C43	N13	H71	170.1°	90.0°
O13	C44	H69	H70	120.8°	90.0°
C44	O13	C64	C63	176.9°	90.0°
C44	O13	C64	O18	6.2°	90.0°
H69	C44	O13	C64	131.6°	90.0°
H70	C44	O13	C64	11.1°	90.0°
C45	N13	H71	C43	180.0°	90.0°
N13	C45	C46	C47	121.1°	90.0°
N13	C45	C46	H72	120.5°	90.0°
N13	C45	C47	H72	120.6°	90.0°
N13	C45	C46	O14	125.7°	90.0°
N13	C45	C47	C48	63.8°	90.0°
N13	C45	C47	H73	56.6°	90.0°
N13	C45	C47	H74	175.8°	90.0°
N13	C45	C46	N14	51.4°	90.0°
H71	N13	C45	C46	104.2°	90.0°
H71	N13	C45	C47	16.5°	90.0°
H71	N13	C45	H72	136.3°	90.0°
C46	C45	C47	H72	118.3°	90.0°
C45	C46	O14	N14	176.9°	90.0°
C46	C45	C47	C48	175.1°	90.0°
C46	C45	C47	H73	64.5°	90.0°
C46	C45	C47	H74	54.7°	90.0°
C45	C46	N14	C49	177.1°	90.0°
C45	C46	N14	H75	2.9°	90.0°
C46	C45	N13	C43	75.9°	90.0°
C47	C45	C46	O14	113.2°	90.0°
C45	C47	C48	H73	120.4°	90.0°
C45	C47	C48	H74	120.4°	90.0°
C45	C47	H73	H74	118.7°	90.0°
C45	C47	C48	O15	9.6°	90.0°
C45	C47	C48	O6	171.0°	90.0°
C47	C45	N13	C43	163.5°	90.0°
C47	C45	C46	N14	69.7°	90.0°
H72	C45	C46	O14	5.2°	90.0°
H72	C45	C47	C48	56.7°	90.0°
H72	C45	C47	H73	177.2°	90.0°
H72	C45	C47	H74	63.7°	90.0°
H72	C45	N13	C43	43.7°	90.0°
H72	C45	C46	N14	171.8°	90.0°
O14	C46	N14	C49	5.9°	90.0°
O14	C46	N14	H75	174.1°	90.0°
C48	C47	H73	H74	118.7°	90.0°
C47	C48	O15	O6	179.3°	90.0°
H73	C47	C48	O15	130.1°	90.0°
H73	C47	C48	O6	50.5°	90.0°
H74	C47	C48	O15	110.8°	90.0°
H74	C47	C48	O6	68.6°	90.0°
C49	N14	H75	C46	180.0°	90.0°
N14	C49	C50	C51	124.4°	90.0°
N14	C49	C50	H76	118.1°	90.0°
N14	C49	C51	H76	118.4°	90.0°
N14	C49	C50	O16	149.9°	90.0°
N14	C49	C51	C52	63.8°	90.0°
N14	C49	C51	H77	175.2°	90.0°
N14	C49	C51	H78	57.1°	90.0°
N14	C49	C50	N16	32.1°	90.0°
H75	N14	C49	C50	121.4°	90.0°
H75	N14	C49	C51	2.8°	90.0°
H75	N14	C49	H76	120.9°	90.0°
C50	C49	C51	H76	117.4°	90.0°
C49	C50	O16	N16	177.9°	90.0°
C50	C49	C51	C52	60.3°	90.0°
C50	C49	C51	H77	60.6°	90.0°
C50	C49	C51	H78	178.7°	90.0°
C49	C50	N16	C60	178.1°	90.0°
C49	C50	N16	H85	1.9°	90.0°
C50	C49	N14	C46	58.6°	90.0°
C51	C49	C50	O16	85.7°	90.0°
C49	C51	C52	H77	120.9°	90.0°
C49	C51	C52	H78	120.9°	90.0°
C49	C51	H77	H78	117.2°	90.0°
C49	C51	C52	C53	92.7°	90.0°
C49	C51	C52	C54	88.7°	90.0°
C51	C49	N14	C46	177.2°	90.0°
C51	C49	C50	N16	92.3°	90.0°
H76	C49	C50	O16	31.8°	90.0°
H76	C49	C51	C52	177.8°	90.0°
H76	C49	C51	H77	56.9°	90.0°
H76	C49	C51	H78	61.3°	90.0°
H76	C49	N14	C46	59.2°	90.0°
H76	C49	C50	N16	150.2°	90.0°
O16	C50	N16	C60	0.2°	90.0°
O16	C50	N16	H85	179.8°	90.0°
C52	C51	H77	H78	117.2°	90.0°
C51	C52	C53	C54	178.8°	90.0°
C51	C52	C53	N15	179.1°	90.0°
C51	C52	C53	H79	0.9°	90.0°
C51	C52	C54	C55	178.6°	90.0°
C51	C52	C54	C56	0.9°	90.0°
H77	C51	C52	C53	146.3°	90.0°
H77	C51	C52	C54	32.2°	90.0°
H78	C51	C52	C53	28.2°	90.0°
H78	C51	C52	C54	150.3°	90.0°
C52	C53	N15	H79	180.0°	90.0°
C53	C52	C54	C55	0.2°	90.0°
C53	C52	C54	C56	179.7°	90.0°
C52	C53	N15	C55	0.8°	90.0°
C52	C53	N15	H80	179.2°	90.0°
C54	C52	C53	N15	0.3°	90.0°
C54	C52	C53	H79	179.7°	90.0°
C52	C54	C55	C56	179.6°	90.0°
C52	C54	C55	N15	0.7°	90.0°
C52	C54	C55	C57	178.3°	90.0°
C52	C54	C56	C58	178.6°	90.0°
C52	C54	C56	H81	1.5°	90.0°
C53	N15	C55	C54	0.9°	90.0°
C53	N15	C55	H80	180.0°	90.0°
C53	N15	C55	C57	178.2°	90.0°
H79	C53	N15	C55	179.2°	90.0°
H79	C53	N15	H80	0.8°	90.0°
C54	C55	N15	C57	177.4°	90.0°
C54	C55	N15	H80	179.1°	90.0°
C55	C54	C56	C58	2.0°	90.0°
C55	C54	C56	H81	178.0°	90.0°
C54	C55	C57	C59	2.0°	90.0°
C54	C55	C57	H82	178.0°	90.0°
C56	C54	C55	N15	179.8°	90.0°
C56	C54	C55	C57	2.2°	90.0°
C54	C56	C58	H81	180.0°	90.0°
C54	C56	C58	C59	1.9°	90.0°
C54	C56	C58	H83	178.1°	90.0°
N15	C55	C57	C59	179.0°	90.0°
N15	C55	C57	H82	1.0°	90.0°
H80	N15	C55	C57	1.8°	90.0°
C55	C57	C59	H82	180.0°	90.0°
C55	C57	C59	C58	1.8°	90.0°
C55	C57	C59	H84	178.2°	90.0°
C56	C58	C59	C57	1.8°	90.0°
C56	C58	C59	H83	180.0°	90.0°
C56	C58	C59	H84	178.2°	90.0°
H81	C56	C58	C59	178.1°	90.0°
H81	C56	C58	H83	1.9°	90.0°
C57	C59	C58	H84	180.0°	90.0°
C57	C59	C58	H83	178.2°	90.0°
H82	C57	C59	C58	178.2°	90.0°
H82	C57	C59	H84	1.8°	90.0°
H83	C58	C59	H84	1.8°	90.0°
C60	N16	H85	C50	180.0°	90.0°
N16	C60	C61	C62	124.2°	90.0°
N16	C60	C61	H86	118.2°	90.0°
N16	C60	C62	H86	117.3°	90.0°
N16	C60	C61	O17	153.6°	90.0°
N16	C60	C62	C63	69.2°	90.0°
N16	C60	C62	H87	51.9°	90.0°
N16	C60	C62	H88	169.8°	90.0°
N16	C60	C61	N17	24.4°	90.0°
H85	N16	C60	C61	119.5°	90.0°
H85	N16	C60	C62	6.0°	90.0°
H85	N16	C60	H86	122.8°	90.0°
C61	C60	C62	H86	117.6°	90.0°
C60	C61	O17	N17	178.0°	90.0°
C61	C60	C62	C63	165.7°	90.0°
C61	C60	C62	H87	73.2°	90.0°
C61	C60	C62	H88	44.6°	90.0°
C60	C61	N17	C65	175.9°	90.0°
C60	C61	N17	H92	4.1°	90.0°
C61	C60	N16	C50	60.5°	90.0°
C62	C60	C61	O17	82.2°	90.0°
C60	C62	C63	H87	121.1°	90.0°
C60	C62	C63	H88	121.1°	90.0°
C60	C62	H87	H88	116.7°	90.0°
C60	C62	C63	C64	105.7°	90.0°
C60	C62	C63	H89	133.5°	90.0°
C60	C62	C63	H90	15.0°	90.0°
C62	C60	N16	C50	174.0°	90.0°
C62	C60	C61	N17	99.8°	90.0°
H86	C60	C61	O17	35.4°	90.0°
H86	C60	C62	C63	48.1°	90.0°
H86	C60	C62	H87	169.2°	90.0°
H86	C60	C62	H88	72.9°	90.0°
H86	C60	N16	C50	57.2°	90.0°
H86	C60	C61	N17	142.6°	90.0°
O17	C61	N17	C65	6.1°	90.0°
O17	C61	N17	H92	173.9°	90.0°
C63	C62	H87	H88	116.7°	90.0°
C62	C63	C64	H89	120.8°	90.0°
C62	C63	C64	H90	120.8°	90.0°
C62	C63	H89	H90	117.7°	90.0°
C62	C63	C64	O18	144.4°	90.0°
C62	C63	C64	O13	38.7°	90.0°
H87	C62	C63	C64	15.3°	90.0°
H87	C62	C63	H89	105.4°	90.0°
H87	C62	C63	H90	136.1°	90.0°
H88	C62	C63	C64	133.2°	90.0°
H88	C62	C63	H89	12.5°	90.0°
H88	C62	C63	H90	106.0°	90.0°
C64	C63	H89	H90	117.6°	90.0°
C63	C64	O18	O13	176.7°	90.0°
C63	C64	O18	H91	176.7°	90.0°
H89	C63	C64	O18	23.6°	90.0°
H89	C63	C64	O13	159.5°	90.0°
H90	C63	C64	O18	94.8°	90.0°
H90	C63	C64	O13	82.1°	90.0°
H91	O18	C64	O13	0.0°	90.0°
C65	N17	H92	C61	180.0°	90.0°
N17	C65	C66	C67	121.6°	90.0°
N17	C65	C66	H93	121.5°	90.0°
N17	C65	C67	H93	118.9°	90.0°
N17	C65	C66	O19	176.4°	90.0°
N17	C65	C67	C68	60.4°	90.0°
N17	C65	C67	H94	60.3°	90.0°
N17	C65	C67	H95	179.0°	90.0°
N17	C65	C66	N18	6.1°	90.0°
H92	N17	C65	C66	91.2°	90.0°
H92	N17	C65	C67	29.4°	90.0°
H92	N17	C65	H93	147.8°	90.0°
C66	C65	C67	H93	116.8°	90.0°
C65	C66	O19	N18	177.3°	90.0°
C66	C65	C67	C68	175.4°	90.0°
C66	C65	C67	H94	64.0°	90.0°
C66	C65	C67	H95	54.7°	90.0°
C65	C66	N18	C70	179.0°	90.0°
C65	C66	N18	H98	1.0°	90.0°
C66	C65	N17	C61	88.8°	90.0°
C67	C65	C66	O19	61.9°	90.0°
C65	C67	C68	H94	120.6°	90.0°
C65	C67	C68	H95	120.7°	90.0°
C65	C67	H94	H95	118.0°	90.0°
C65	C67	C68	C69	175.9°	90.0°
C65	C67	C68	H96	63.9°	90.0°
C65	C67	C68	H97	55.6°	90.0°
C67	C65	N17	C61	150.6°	90.0°
C67	C65	C66	N18	115.5°	90.0°
H93	C65	C66	O19	55.0°	90.0°
H93	C65	C67	C68	58.5°	90.0°
H93	C65	C67	H94	179.1°	90.0°
H93	C65	C67	H95	62.2°	90.0°
H93	C65	N17	C61	32.2°	90.0°
H93	C65	C66	N18	127.6°	90.0°
O19	C66	N18	C70	1.6°	90.0°
O19	C66	N18	H98	178.3°	90.0°
C68	C67	H94	H95	117.9°	90.0°
C67	C68	C69	H96	120.2°	90.0°
C67	C68	C69	H97	120.3°	90.0°
C67	C68	H96	H97	119.3°	90.0°
C67	C68	C69	O20	60.4°	90.0°
C67	C68	C69	N9	108.0°	90.0°
H94	C67	C68	C69	55.3°	90.0°
H94	C67	C68	H96	175.5°	90.0°
H94	C67	C68	H97	65.0°	90.0°
H95	C67	C68	C69	63.4°	90.0°
H95	C67	C68	H96	56.8°	90.0°
H95	C67	C68	H97	176.3°	90.0°
C69	C68	H96	H97	119.3°	90.0°
C68	C69	O20	N9	167.6°	90.0°
H96	C68	C69	O20	59.8°	90.0°
H96	C68	C69	N9	131.8°	90.0°
H97	C68	C69	O20	179.3°	90.0°
H97	C68	C69	N9	12.3°	90.0°
C70	N18	H98	C66	180.0°	90.0°
N18	C70	C71	C72	122.6°	90.0°
N18	C70	C71	H99	120.6°	90.0°
N18	C70	C72	H99	116.8°	90.0°
N18	C70	C71	O21	163.7°	90.0°
N18	C70	C71	O22	19.6°	90.0°
N18	C70	C72	C73	61.5°	90.0°
N18	C70	C72	H100	59.5°	90.0°
N18	C70	C72	H101	177.6°	90.0°
H98	N18	C70	C71	106.4°	90.0°
H98	N18	C70	C72	17.0°	90.0°
H98	N18	C70	H99	133.5°	90.0°
C71	C70	C72	H99	116.6°	90.0°
C70	C71	O21	O22	176.8°	90.0°
C71	C70	C72	C73	171.9°	90.0°
C71	C70	C72	H100	67.1°	90.0°
C71	C70	C72	H101	51.0°	90.0°
C70	C71	O22	H108	176.8°	90.0°
C71	C70	N18	C66	73.6°	90.0°
C72	C70	C71	O21	73.8°	90.0°
C72	C70	C71	O22	103.0°	90.0°
C70	C72	C73	H100	121.0°	90.0°
C70	C72	C73	H101	121.0°	90.0°
C70	C72	H100	H101	117.1°	90.0°
C70	C72	C73	C74	7.2°	90.0°
C70	C72	C73	C75	171.8°	90.0°
C72	C70	N18	C66	162.9°	90.0°
H99	C70	C71	O21	43.0°	90.0°
H99	C70	C71	O22	140.2°	90.0°
H99	C70	C72	C73	55.3°	90.0°
H99	C70	C72	H100	176.3°	90.0°
H99	C70	C72	H101	65.6°	90.0°
H99	C70	N18	C66	46.5°	90.0°
O21	C71	O22	H108	0.0°	90.0°
C73	C72	H100	H101	117.0°	90.0°
C72	C73	C74	C75	179.1°	90.0°
C72	C73	C74	N19	179.8°	90.0°
C72	C73	C74	H102	0.2°	90.0°
C72	C73	C75	C76	179.2°	90.0°
C72	C73	C75	C77	0.9°	90.0°
H100	C72	C73	C74	128.2°	90.0°
H100	C72	C73	C75	50.8°	90.0°
H101	C72	C73	C74	113.7°	90.0°
H101	C72	C73	C75	67.3°	90.0°
C73	C74	N19	H102	180.0°	90.0°
C74	C73	C75	C76	1.6°	90.0°
C74	C73	C75	C77	180.0°	90.0°
C73	C74	N19	C76	0.6°	90.0°
C73	C74	N19	H103	179.4°	90.0°
C75	C73	C74	N19	0.7°	90.0°
C75	C73	C74	H102	179.3°	90.0°
C73	C75	C76	C77	178.6°	90.0°
C73	C75	C76	N19	2.0°	90.0°
C73	C75	C76	C78	179.8°	90.0°
C73	C75	C77	C79	178.5°	90.0°
C73	C75	C77	H104	1.5°	90.0°
C74	N19	C76	C75	1.6°	90.0°
C74	N19	C76	H103	180.0°	90.0°
C74	N19	C76	C78	179.6°	90.0°
H102	C74	N19	C76	179.4°	90.0°
H102	C74	N19	H103	0.6°	90.0°
C75	C76	N19	C78	178.0°	90.0°
C75	C76	N19	H103	178.4°	90.0°
C76	C75	C77	C79	0.3°	90.0°
C76	C75	C77	H104	179.7°	90.0°
C75	C76	C78	C80	1.5°	90.0°
C75	C76	C78	H105	178.5°	90.0°
C77	C75	C76	N19	179.4°	90.0°
C77	C75	C76	C78	1.2°	90.0°
C75	C77	C79	H104	180.0°	90.0°
C75	C77	C79	C80	0.2°	90.0°
C75	C77	C79	H106	179.8°	90.0°
N19	C76	C78	C80	179.3°	90.0°
N19	C76	C78	H105	0.7°	90.0°
H103	N19	C76	C78	0.4°	90.0°
C76	C78	C80	H105	180.0°	90.0°
C76	C78	C80	C79	0.9°	90.0°
C76	C78	C80	H107	179.1°	90.0°
C77	C79	C80	C78	0.1°	90.0°
C77	C79	C80	H106	180.0°	90.0°
C77	C79	C80	H107	179.9°	90.0°
H104	C77	C79	C80	179.8°	90.0°
H104	C77	C79	H106	0.2°	90.0°
C78	C80	C79	H107	180.0°	90.0°
C78	C80	C79	H106	179.9°	90.0°
H105	C78	C80	C79	179.1°	90.0°
H105	C78	C80	H107	0.9°	90.0°
H106	C79	C80	H107	0.1°	90.0°

Release date:	2014-04-02
Last modified:	2014-04-02
Processing site:	RCSB