PRD_002379

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	0.00Å	1.40Å
C1	C3	sing	0.00Å	1.53Å
C2	H1	sing	0.00Å	1.08Å
C3	O1	doub	0.00Å	1.17Å
N1	C4	sing	0.00Å	1.46Å
N1	H2	sing	0.00Å	1.00Å
C4	C5	sing	0.00Å	1.54Å
C4	C6	sing	0.00Å	1.54Å
C4	H3	sing	0.00Å	1.10Å
C5	O2	doub	0.00Å	1.25Å
C6	C7	sing	0.00Å	1.53Å
C6	H4	sing	0.00Å	1.10Å
C6	H5	sing	0.00Å	1.10Å
C7	C8	doub	0.00Å	1.38Å	Aromatic
C7	C9	sing	0.00Å	1.45Å	Aromatic
C8	N2	sing	0.00Å	1.38Å	Aromatic
C8	H6	sing	0.00Å	1.08Å
C9	C10	doub	0.00Å	1.42Å	Aromatic
C9	C11	sing	0.00Å	1.40Å	Aromatic
N2	C10	sing	0.00Å	1.37Å	Aromatic
N2	H7	sing	0.00Å	1.00Å
C10	C12	sing	0.00Å	1.40Å	Aromatic
C11	C13	doub	0.00Å	1.39Å	Aromatic
C11	H8	sing	0.00Å	1.08Å
C12	C14	doub	0.00Å	1.37Å	Aromatic
C12	H9	sing	0.00Å	1.08Å
C13	C14	sing	0.00Å	1.40Å	Aromatic
C13	H10	sing	0.00Å	1.08Å
C14	H11	sing	0.00Å	1.08Å
N3	C15	sing	0.00Å	1.45Å
N3	H12	sing	0.00Å	1.00Å
C15	C16	sing	0.00Å	1.51Å
C15	H13	sing	0.00Å	1.10Å
C15	H14	sing	0.00Å	1.10Å
C16	O3	doub	0.00Å	1.23Å
N4	C17	sing	0.00Å	1.46Å
N4	H15	sing	0.00Å	1.00Å
C17	C18	sing	0.00Å	1.52Å
C17	C19	sing	0.00Å	1.53Å
C17	H16	sing	0.00Å	1.10Å
C18	O4	doub	0.00Å	1.24Å
C19	C20	sing	0.00Å	1.50Å
C19	H17	sing	0.00Å	1.10Å
C19	H18	sing	0.00Å	1.10Å
C20	C21	doub	0.00Å	1.39Å	Aromatic
C20	C22	sing	0.00Å	1.38Å	Aromatic
C21	C23	sing	0.00Å	1.38Å	Aromatic
C21	H19	sing	0.00Å	1.08Å
C22	C24	doub	0.00Å	1.38Å	Aromatic
C22	H20	sing	0.00Å	1.08Å
C23	C25	doub	0.00Å	1.38Å	Aromatic
C23	H21	sing	0.00Å	1.08Å
C24	C25	sing	0.00Å	1.39Å	Aromatic
C24	H22	sing	0.00Å	1.08Å
C25	H23	sing	0.00Å	1.08Å
N5	C26	sing	0.00Å	1.46Å
N5	H24	sing	0.00Å	1.00Å
C26	C27	sing	0.00Å	1.52Å
C26	C28	sing	0.00Å	1.53Å
C26	H25	sing	0.00Å	1.10Å
C27	O5	doub	0.00Å	1.23Å
C28	C29	sing	0.00Å	1.53Å
C28	C30	sing	0.00Å	1.53Å
C28	H26	sing	0.00Å	1.10Å
C29	C31	sing	0.00Å	1.49Å
C29	H27	sing	0.00Å	1.10Å
C29	H28	sing	0.00Å	1.10Å
C30	H29	sing	0.00Å	1.10Å
C30	H30	sing	0.00Å	1.10Å
C30	H31	sing	0.00Å	1.10Å
C31	H32	sing	0.00Å	1.10Å
C31	H33	sing	0.00Å	1.10Å
C31	H34	sing	0.00Å	1.10Å
N6	C32	sing	0.00Å	1.46Å
N6	H35	sing	0.00Å	1.00Å
C32	C33	sing	0.00Å	1.52Å
C32	C34	sing	0.00Å	1.53Å
C32	H36	sing	0.00Å	1.10Å
C33	O6	doub	0.00Å	1.24Å
C34	C35	sing	0.00Å	1.51Å
C34	H37	sing	0.00Å	1.10Å
C34	H38	sing	0.00Å	1.10Å
C35	C36	doub	0.00Å	1.39Å	Aromatic
C35	C37	sing	0.00Å	1.38Å	Aromatic
C36	C38	sing	0.00Å	1.39Å	Aromatic
C36	H39	sing	0.00Å	1.08Å
C37	C39	doub	0.00Å	1.39Å	Aromatic
C37	H40	sing	0.00Å	1.08Å
C38	C40	doub	0.00Å	1.38Å	Aromatic
C38	H41	sing	0.00Å	1.08Å
C39	C40	sing	0.00Å	1.38Å	Aromatic
C39	H42	sing	0.00Å	1.08Å
C40	O7	sing	0.00Å	1.38Å
O7	H43	sing	0.00Å	0.95Å
N7	C41	sing	0.00Å	1.46Å
N7	H44	sing	0.00Å	1.00Å
C41	C42	sing	0.00Å	1.53Å
C41	C43	sing	0.00Å	1.52Å
C41	H45	sing	0.00Å	1.10Å
C42	O8	doub	0.00Å	1.23Å
C43	C44	sing	0.00Å	1.52Å
C43	H46	sing	0.00Å	1.10Å
C43	H47	sing	0.00Å	1.10Å
C44	C45	sing	0.00Å	1.51Å
C44	H48	sing	0.00Å	1.10Å
C44	H49	sing	0.00Å	1.10Å
C45	C46	sing	0.00Å	1.51Å
C45	H50	sing	0.00Å	1.10Å
C45	H51	sing	0.00Å	1.10Å
C46	N8	sing	0.00Å	1.48Å
C46	H52	sing	0.00Å	1.10Å
C46	H53	sing	0.00Å	1.10Å
N8	H54	sing	0.00Å	1.00Å
N8	H55	sing	0.00Å	1.00Å
N8	H56	sing	0.00Å	1.00Å
N9	C47	sing	0.00Å	1.46Å
N9	H57	sing	0.00Å	1.00Å
C47	C48	sing	0.00Å	1.53Å
C47	C49	sing	0.00Å	1.53Å
C47	H58	sing	0.00Å	1.10Å
C48	O9	doub	0.00Å	1.24Å
C49	O10	sing	0.00Å	1.44Å
C49	C50	sing	0.00Å	1.55Å
C49	H59	sing	0.00Å	1.10Å
O10	H60	sing	0.00Å	0.95Å
C50	H61	sing	0.00Å	1.10Å
C50	H62	sing	0.00Å	1.10Å
C50	H63	sing	0.00Å	1.10Å
N10	C51	sing	0.00Å	1.46Å
N10	H64	sing	0.00Å	1.00Å
C51	C52	sing	0.00Å	1.53Å
C51	C53	sing	0.00Å	1.53Å
C51	H65	sing	0.00Å	1.10Å
C52	O11	doub	0.00Å	1.23Å
C53	C54	sing	0.00Å	1.52Å
C53	H66	sing	0.00Å	1.10Å
C53	H67	sing	0.00Å	1.10Å
C54	C55	sing	0.00Å	1.53Å
C54	C56	sing	0.00Å	1.54Å
C54	H68	sing	0.00Å	1.10Å
C55	H69	sing	0.00Å	1.10Å
C55	H70	sing	0.00Å	1.10Å
C55	H71	sing	0.00Å	1.10Å
C56	H72	sing	0.00Å	1.10Å
C56	H73	sing	0.00Å	1.10Å
C56	H74	sing	0.00Å	1.10Å
N11	C57	sing	0.00Å	1.46Å
N11	H75	sing	0.00Å	1.00Å
C57	C58	sing	0.00Å	1.52Å
C57	C59	sing	0.00Å	1.53Å
C57	H76	sing	0.00Å	1.10Å
C58	O12	doub	0.00Å	1.23Å
C59	C60	sing	0.00Å	1.51Å
C59	H77	sing	0.00Å	1.10Å
C59	H78	sing	0.00Å	1.10Å
C60	C61	sing	0.00Å	1.51Å
C60	H79	sing	0.00Å	1.10Å
C60	H80	sing	0.00Å	1.10Å
C61	C62	sing	0.00Å	1.52Å
C61	H81	sing	0.00Å	1.10Å
C61	H82	sing	0.00Å	1.10Å
C62	N12	sing	0.00Å	1.48Å
C62	H83	sing	0.00Å	1.10Å
C62	H84	sing	0.00Å	1.10Å
N12	H85	sing	0.00Å	1.00Å
N12	H86	sing	0.00Å	1.00Å
N12	H87	sing	0.00Å	1.00Å
N13	C63	sing	0.00Å	1.42Å
N13	H88	sing	0.00Å	1.00Å
C63	C64	doub	0.00Å	1.35Å
C63	C65	sing	0.00Å	1.54Å
C64	H89	sing	0.00Å	1.08Å
C64	H90	sing	0.00Å	1.08Å
C65	O13	doub	0.00Å	1.25Å
N14	C66	sing	0.00Å	1.40Å
N14	H91	sing	0.00Å	1.00Å
C66	C67	doub	0.00Å	1.35Å
C66	C68	sing	0.00Å	1.50Å
C67	H92	sing	0.00Å	1.08Å
C67	H93	sing	0.00Å	1.08Å
C68	O14	doub	0.00Å	1.24Å
N15	C69	sing	0.00Å	1.45Å
N15	H94	sing	0.00Å	1.00Å
C69	C70	sing	0.00Å	1.52Å
C69	H95	sing	0.00Å	1.10Å
C69	H96	sing	0.00Å	1.10Å
C70	O15	doub	0.00Å	1.22Å
N16	C71	sing	0.00Å	1.47Å
N16	H97	sing	0.00Å	1.00Å
C71	C72	doub	0.00Å	1.37Å
C71	C73	sing	0.00Å	1.46Å
C72	H98	sing	0.00Å	1.08Å
C72	H99	sing	0.00Å	1.08Å
N17	C74	sing	0.00Å	1.37Å
C74	C75	sing	0.00Å	1.51Å
C74	C76	doub	0.00Å	1.39Å
C76	S1	sing	0.00Å	1.75Å
N17	H100	sing	0.00Å	1.00Å
C76	H101	sing	0.00Å	1.08Å
N18	C77	sing	0.00Å	1.33Å
N18	H102	sing	0.00Å	1.00Å
C77	C78	doub	0.00Å	1.42Å
C77	C79	sing	0.00Å	1.47Å
C78	H103	sing	0.00Å	1.08Å
N19	C80	sing	0.00Å	1.46Å
C80	C81	sing	0.00Å	1.52Å
C80	C82	doub	0.00Å	1.38Å
C81	O16	doub	0.00Å	1.19Å
C82	S2	sing	0.00Å	1.73Å
N19	H104	sing	0.00Å	1.00Å
C82	H105	sing	0.00Å	1.08Å
C83	O17	sing	0.00Å	1.45Å
C83	H106	sing	0.00Å	1.10Å
C83	H107	sing	0.00Å	1.10Å
C83	H108	sing	0.00Å	1.10Å
C3	N1	sing	0.00Å	1.34Å
C1	C75	sing	0.00Å	1.48Å
C2	C78	sing	0.00Å	1.40Å
C5	N3	sing	0.00Å	1.34Å
C16	N4	sing	0.00Å	1.33Å
C18	N5	sing	0.00Å	1.34Å
C27	N6	sing	0.00Å	1.33Å
C33	N7	sing	0.00Å	1.34Å
C42	N9	sing	0.00Å	1.33Å
C48	N10	sing	0.00Å	1.33Å
C52	N11	sing	0.00Å	1.33Å
C58	N13	sing	0.00Å	1.43Å
C65	N14	sing	0.00Å	1.34Å
C68	N15	sing	0.00Å	1.33Å
C70	N16	sing	0.00Å	1.33Å
C73	N17	sing	0.00Å	1.32Å
C73	S1	sing	0.00Å	1.82Å
C75	N18	sing	0.00Å	1.35Å
C79	N19	sing	0.00Å	1.34Å
C79	S2	sing	0.00Å	1.82Å
C81	O17	sing	0.00Å	1.41Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C3	121.0°	90.0°
C1	C2	H1	119.1°	90.0°
C2	C1	C75	117.0°	90.0°
C1	C2	C78	121.8°	90.0°
C1	C3	O1	123.7°	90.0°
C1	C3	N1	110.5°	90.0°
C3	C1	C75	122.1°	90.0°
H1	C2	C78	119.1°	90.0°
O1	C3	N1	125.8°	90.0°
C4	N1	H2	118.2°	90.0°
N1	C4	C5	113.1°	90.0°
N1	C4	C6	111.1°	90.0°
N1	C4	H3	108.3°	90.0°
C4	N1	C3	123.5°	90.0°
H2	N1	C3	118.2°	90.0°
C5	C4	C6	109.4°	90.0°
C5	C4	H3	107.4°	90.0°
C4	C5	O2	120.3°	90.0°
C4	C5	N3	116.4°	90.0°
C6	C4	H3	107.4°	90.0°
C4	C6	C7	112.3°	90.0°
C4	C6	H4	108.8°	90.0°
C4	C6	H5	108.8°	90.0°
O2	C5	N3	123.3°	90.0°
C7	C6	H4	108.8°	90.0°
C7	C6	H5	108.8°	90.0°
C6	C7	C8	127.3°	90.0°
C6	C7	C9	127.0°	90.0°
H4	C6	H5	109.4°	90.0°
C8	C7	C9	105.7°	90.0°
C7	C8	N2	110.2°	90.0°
C7	C8	H6	124.9°	90.0°
C7	C9	C10	107.3°	90.0°
C7	C9	C11	133.9°	90.0°
N2	C8	H6	124.9°	90.0°
C8	N2	C10	109.0°	90.0°
C8	N2	H7	125.5°	90.0°
C10	C9	C11	118.8°	90.0°
C9	C10	N2	107.7°	90.0°
C9	C10	C12	122.3°	90.0°
C9	C11	C13	118.7°	90.0°
C9	C11	H8	120.6°	90.0°
C10	N2	H7	125.5°	90.0°
N2	C10	C12	130.0°	90.0°
C10	C12	C14	117.5°	90.0°
C10	C12	H9	121.2°	90.0°
C13	C11	H8	120.6°	90.0°
C11	C13	C14	121.1°	90.0°
C11	C13	H10	119.4°	90.0°
C14	C12	H9	121.3°	90.0°
C12	C14	C13	121.5°	90.0°
C12	C14	H11	119.3°	90.0°
C14	C13	H10	119.4°	90.0°
C13	C14	H11	119.2°	90.0°
C15	N3	H12	117.2°	90.0°
N3	C15	C16	117.1°	90.0°
N3	C15	H13	107.6°	90.0°
N3	C15	H14	107.5°	90.0°
C15	N3	C5	125.6°	90.0°
H12	N3	C5	117.2°	90.0°
C16	C15	H13	107.5°	90.0°
C16	C15	H14	107.5°	90.0°
C15	C16	O3	119.4°	90.0°
C15	C16	N4	119.1°	90.0°
H13	C15	H14	109.5°	90.0°
O3	C16	N4	121.5°	90.0°
C17	N4	H15	119.7°	90.0°
N4	C17	C18	111.3°	90.0°
N4	C17	C19	111.4°	90.0°
N4	C17	H16	108.9°	90.0°
C17	N4	C16	120.5°	90.0°
H15	N4	C16	119.7°	90.0°
C18	C17	C19	109.1°	90.0°
C18	C17	H16	108.0°	90.0°
C17	C18	O4	120.6°	90.0°
C17	C18	N5	116.2°	90.0°
C19	C17	H16	108.0°	90.0°
C17	C19	C20	112.7°	90.0°
C17	C19	H17	108.6°	90.0°
C17	C19	H18	108.7°	90.0°
O4	C18	N5	123.1°	90.0°
C20	C19	H17	108.7°	90.0°
C20	C19	H18	108.7°	90.0°
C19	C20	C21	120.4°	90.0°
C19	C20	C22	120.8°	90.0°
H17	C19	H18	109.5°	90.0°
C21	C20	C22	118.8°	90.0°
C20	C21	C23	121.0°	90.0°
C20	C21	H19	119.5°	90.0°
C20	C22	C24	120.7°	90.0°
C20	C22	H20	119.7°	90.0°
C23	C21	H19	119.5°	90.0°
C21	C23	C25	119.4°	90.0°
C21	C23	H21	120.3°	90.0°
C24	C22	H20	119.7°	90.0°
C22	C24	C25	120.1°	90.0°
C22	C24	H22	120.0°	90.0°
C25	C23	H21	120.3°	90.0°
C23	C25	C24	120.0°	90.0°
C23	C25	H23	120.0°	90.0°
C25	C24	H22	119.9°	90.0°
C24	C25	H23	120.0°	90.0°
C26	N5	H24	118.6°	90.0°
N5	C26	C27	109.3°	90.0°
N5	C26	C28	111.7°	90.0°
N5	C26	H25	108.8°	90.0°
C26	N5	C18	122.8°	90.0°
H24	N5	C18	118.6°	90.0°
C27	C26	C28	110.9°	90.0°
C27	C26	H25	108.1°	90.0°
C26	C27	O5	120.5°	90.0°
C26	C27	N6	116.2°	90.0°
C28	C26	H25	107.9°	90.0°
C26	C28	C29	108.5°	90.0°
C26	C28	C30	109.8°	90.0°
C26	C28	H26	108.4°	90.0°
O5	C27	N6	123.3°	90.0°
C29	C28	C30	113.1°	90.0°
C29	C28	H26	108.5°	90.0°
C28	C29	C31	114.9°	90.0°
C28	C29	H27	108.1°	90.0°
C28	C29	H28	108.1°	90.0°
C30	C28	H26	108.4°	90.0°
C28	C30	H29	109.5°	90.0°
C28	C30	H30	109.4°	90.0°
C28	C30	H31	109.4°	90.0°
C31	C29	H27	108.1°	90.0°
C31	C29	H28	108.1°	90.0°
C29	C31	H32	109.5°	90.0°
C29	C31	H33	109.5°	90.0°
C29	C31	H34	109.5°	90.0°
H27	C29	H28	109.5°	90.0°
H29	C30	H30	109.4°	90.0°
H29	C30	H31	109.5°	90.0°
H30	C30	H31	109.5°	90.0°
H32	C31	H33	109.5°	90.0°
H32	C31	H34	109.5°	90.0°
H33	C31	H34	109.5°	90.0°
C32	N6	H35	118.3°	90.0°
N6	C32	C33	107.6°	90.0°
N6	C32	C34	111.6°	90.0°
N6	C32	H36	109.6°	90.0°
C32	N6	C27	123.3°	90.0°
H35	N6	C27	118.4°	90.0°
C33	C32	C34	110.6°	90.0°
C33	C32	H36	108.7°	90.0°
C32	C33	O6	120.2°	90.0°
C32	C33	N7	116.0°	90.0°
C34	C32	H36	108.7°	90.0°
C32	C34	C35	113.2°	90.0°
C32	C34	H37	108.5°	90.0°
C32	C34	H38	108.6°	90.0°
O6	C33	N7	123.8°	90.0°
C35	C34	H37	108.6°	90.0°
C35	C34	H38	108.5°	90.0°
C34	C35	C36	120.9°	90.0°
C34	C35	C37	121.1°	90.0°
H37	C34	H38	109.5°	90.0°
C36	C35	C37	118.0°	90.0°
C35	C36	C38	121.2°	90.0°
C35	C36	H39	119.4°	90.0°
C35	C37	C39	121.3°	90.0°
C35	C37	H40	119.4°	90.0°
C38	C36	H39	119.4°	90.0°
C36	C38	C40	119.5°	90.0°
C36	C38	H41	120.2°	90.0°
C39	C37	H40	119.4°	90.0°
C37	C39	C40	119.7°	90.0°
C37	C39	H42	120.2°	90.0°
C40	C38	H41	120.2°	90.0°
C38	C40	C39	120.3°	90.0°
C38	C40	O7	119.8°	90.0°
C40	C39	H42	120.1°	90.0°
C39	C40	O7	119.9°	90.0°
C40	O7	H43	109.5°	90.0°
C41	N7	H44	118.0°	90.0°
N7	C41	C42	112.5°	90.0°
N7	C41	C43	110.1°	90.0°
N7	C41	H45	108.3°	90.0°
C41	N7	C33	124.0°	90.0°
H44	N7	C33	118.0°	90.0°
C42	C41	C43	110.9°	90.0°
C42	C41	H45	107.5°	90.0°
C41	C42	O8	120.4°	90.0°
C41	C42	N9	117.6°	90.0°
C43	C41	H45	107.5°	90.0°
C41	C43	C44	113.1°	90.0°
C41	C43	H46	108.5°	90.0°
C41	C43	H47	108.6°	90.0°
O8	C42	N9	122.0°	90.0°
C44	C43	H46	108.6°	90.0°
C44	C43	H47	108.6°	90.0°
C43	C44	C45	111.4°	90.0°
C43	C44	H48	109.0°	90.0°
C43	C44	H49	109.0°	90.0°
H46	C43	H47	109.4°	90.0°
C45	C44	H48	109.0°	90.0°
C45	C44	H49	109.0°	90.0°
C44	C45	C46	111.1°	90.0°
C44	C45	H50	109.1°	90.0°
C44	C45	H51	109.1°	90.0°
H48	C44	H49	109.5°	90.0°
C46	C45	H50	109.0°	90.0°
C46	C45	H51	109.0°	90.0°
C45	C46	N8	109.6°	90.0°
C45	C46	H52	109.4°	90.0°
C45	C46	H53	109.4°	90.0°
H50	C45	H51	109.5°	90.0°
N8	C46	H52	109.4°	90.0°
N8	C46	H53	109.5°	90.0°
C46	N8	H54	109.5°	90.0°
C46	N8	H55	109.5°	90.0°
C46	N8	H56	109.5°	90.0°
H52	C46	H53	109.5°	90.0°
H54	N8	H55	109.5°	90.0°
H54	N8	H56	109.5°	90.0°
H55	N8	H56	109.5°	90.0°
C47	N9	H57	119.5°	90.0°
N9	C47	C48	113.9°	90.0°
N9	C47	C49	110.1°	90.0°
N9	C47	H58	108.4°	90.0°
C47	N9	C42	121.1°	90.0°
H57	N9	C42	119.4°	90.0°
C48	C47	C49	109.1°	90.0°
C48	C47	H58	107.6°	90.0°
C47	C48	O9	119.0°	90.0°
C47	C48	N10	118.8°	90.0°
C49	C47	H58	107.5°	90.0°
C47	C49	O10	109.4°	90.0°
C47	C49	C50	110.2°	90.0°
C47	C49	H59	108.7°	90.0°
O9	C48	N10	122.1°	90.0°
O10	C49	C50	109.9°	90.0°
O10	C49	H59	110.0°	90.0°
C49	O10	H60	109.5°	90.0°
C50	C49	H59	108.5°	90.0°
C49	C50	H61	109.5°	90.0°
C49	C50	H62	109.4°	90.0°
C49	C50	H63	109.5°	90.0°
H61	C50	H62	109.5°	90.0°
H61	C50	H63	109.5°	90.0°
H62	C50	H63	109.5°	90.0°
C51	N10	H64	119.4°	90.0°
N10	C51	C52	111.1°	90.0°
N10	C51	C53	110.3°	90.0°
N10	C51	H65	109.2°	90.0°
C51	N10	C48	121.0°	90.0°
H64	N10	C48	119.5°	90.0°
C52	C51	C53	109.7°	90.0°
C52	C51	H65	108.3°	90.0°
C51	C52	O11	121.8°	90.0°
C51	C52	N11	115.6°	90.0°
C53	C51	H65	108.3°	90.0°
C51	C53	C54	115.1°	90.0°
C51	C53	H66	108.0°	90.0°
C51	C53	H67	108.0°	90.0°
O11	C52	N11	122.6°	90.0°
C54	C53	H66	108.0°	90.0°
C54	C53	H67	108.0°	90.0°
C53	C54	C55	109.3°	90.0°
C53	C54	C56	110.8°	90.0°
C53	C54	H68	108.6°	90.0°
H66	C53	H67	109.5°	90.0°
C55	C54	C56	111.3°	90.0°
C55	C54	H68	108.5°	90.0°
C54	C55	H69	109.5°	90.0°
C54	C55	H70	109.5°	90.0°
C54	C55	H71	109.5°	90.0°
C56	C54	H68	108.3°	90.0°
C54	C56	H72	109.5°	90.0°
C54	C56	H73	109.5°	90.0°
C54	C56	H74	109.5°	90.0°
H69	C55	H70	109.5°	90.0°
H69	C55	H71	109.5°	90.0°
H70	C55	H71	109.5°	90.0°
H72	C56	H73	109.4°	90.0°
H72	C56	H74	109.4°	90.0°
H73	C56	H74	109.5°	90.0°
C57	N11	H75	119.5°	90.0°
N11	C57	C58	109.5°	90.0°
N11	C57	C59	111.3°	90.0°
N11	C57	H76	109.4°	90.0°
C57	N11	C52	121.1°	90.0°
H75	N11	C52	119.4°	90.0°
C58	C57	C59	109.7°	90.0°
C58	C57	H76	108.5°	90.0°
C57	C58	O12	119.4°	90.0°
C57	C58	N13	128.1°	90.0°
C59	C57	H76	108.4°	90.0°
C57	C59	C60	114.2°	90.0°
C57	C59	H77	108.3°	90.0°
C57	C59	H78	108.3°	90.0°
O12	C58	N13	110.2°	90.0°
C60	C59	H77	108.3°	90.0°
C60	C59	H78	108.3°	90.0°
C59	C60	C61	110.8°	90.0°
C59	C60	H79	109.2°	90.0°
C59	C60	H80	109.1°	90.0°
H77	C59	H78	109.5°	90.0°
C61	C60	H79	109.1°	90.0°
C61	C60	H80	109.2°	90.0°
C60	C61	C62	111.8°	90.0°
C60	C61	H81	108.9°	90.0°
C60	C61	H82	108.9°	90.0°
H79	C60	H80	109.5°	90.0°
C62	C61	H81	108.9°	90.0°
C62	C61	H82	108.9°	90.0°
C61	C62	N12	109.4°	90.0°
C61	C62	H83	109.5°	90.0°
C61	C62	H84	109.5°	90.0°
H81	C61	H82	109.4°	90.0°
N12	C62	H83	109.5°	90.0°
N12	C62	H84	109.5°	90.0°
C62	N12	H85	109.5°	90.0°
C62	N12	H86	109.4°	90.0°
C62	N12	H87	109.5°	90.0°
H83	C62	H84	109.5°	90.0°
H85	N12	H86	109.5°	90.0°
H85	N12	H87	109.5°	90.0°
H86	N12	H87	109.5°	90.0°
C63	N13	H88	115.9°	90.0°
N13	C63	C64	123.7°	90.0°
N13	C63	C65	117.1°	90.0°
C63	N13	C58	128.3°	90.0°
H88	N13	C58	115.8°	90.0°
C64	C63	C65	119.2°	90.0°
C63	C64	H89	120.0°	90.0°
C63	C64	H90	120.0°	90.0°
C63	C65	O13	118.4°	90.0°
C63	C65	N14	116.9°	90.0°
H89	C64	H90	120.0°	90.0°
O13	C65	N14	124.7°	90.0°
C66	N14	H91	118.5°	90.0°
N14	C66	C67	123.6°	90.0°
N14	C66	C68	116.8°	90.0°
C66	N14	C65	122.9°	90.0°
H91	N14	C65	118.6°	90.0°
C67	C66	C68	119.6°	90.0°
C66	C67	H92	120.0°	90.0°
C66	C67	H93	120.0°	90.0°
C66	C68	O14	117.8°	90.0°
C66	C68	N15	118.3°	90.0°
H92	C67	H93	120.0°	90.0°
O14	C68	N15	123.9°	90.0°
C69	N15	H94	119.2°	90.0°
N15	C69	C70	118.1°	90.0°
N15	C69	H95	107.3°	90.0°
N15	C69	H96	107.3°	90.0°
C69	N15	C68	121.7°	90.0°
H94	N15	C68	119.2°	90.0°
C70	C69	H95	107.2°	90.0°
C70	C69	H96	107.3°	90.0°
C69	C70	O15	119.5°	90.0°
C69	C70	N16	110.6°	90.0°
H95	C69	H96	109.4°	90.0°
O15	C70	N16	122.5°	90.0°
C71	N16	H97	116.9°	90.0°
N16	C71	C72	121.8°	90.0°
N16	C71	C73	114.7°	90.0°
C71	N16	C70	126.3°	90.0°
H97	N16	C70	116.9°	90.0°
C72	C71	C73	123.4°	90.0°
C71	C72	H98	120.0°	90.0°
C71	C72	H99	120.0°	90.0°
C71	C73	N17	127.5°	90.0°
C71	C73	S1	120.2°	90.0°
H98	C72	H99	120.0°	90.0°
N17	C74	C75	125.8°	90.0°
N17	C74	C76	111.1°	90.0°
C74	N17	H100	107.9°	90.0°
C74	N17	C73	115.7°	90.0°
C75	C74	C76	123.1°	90.0°
C74	C75	C1	128.3°	90.0°
C74	C75	N18	114.0°	90.0°
C74	C76	S1	114.2°	90.0°
C74	C76	H101	122.9°	90.0°
S1	C76	H101	122.9°	90.0°
C76	S1	C73	86.8°	90.0°
H100	N17	C73	107.9°	90.0°
C77	N18	H102	105.3°	90.0°
N18	C77	C78	119.4°	90.0°
N18	C77	C79	117.4°	90.0°
C77	N18	C75	125.5°	90.0°
H102	N18	C75	105.3°	90.0°
C78	C77	C79	123.2°	90.0°
C77	C78	H103	120.7°	90.0°
C77	C78	C2	118.6°	90.0°
C77	C79	N19	130.7°	90.0°
C77	C79	S2	117.4°	90.0°
H103	C78	C2	120.7°	90.0°
N19	C80	C81	118.4°	90.0°
N19	C80	C82	113.8°	90.0°
C80	N19	H104	108.8°	90.0°
C80	N19	C79	112.0°	90.0°
C81	C80	C82	127.8°	90.0°
C80	C81	O16	122.7°	90.0°
C80	C81	O17	117.2°	90.0°
C80	C82	S2	112.0°	90.0°
C80	C82	H105	124.0°	90.0°
O16	C81	O17	120.0°	90.0°
S2	C82	H105	124.0°	90.0°
C82	S2	C79	90.3°	90.0°
H104	N19	C79	108.8°	90.0°
O17	C83	H106	109.5°	90.0°
O17	C83	H107	109.5°	90.0°
O17	C83	H108	109.5°	90.0°
C83	O17	C81	118.2°	90.0°
H106	C83	H107	109.4°	90.0°
H106	C83	H108	109.5°	90.0°
H107	C83	H108	109.4°	90.0°
C1	C75	N18	117.7°	90.0°
N17	C73	S1	112.2°	90.0°
N19	C79	S2	111.8°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C3	C75	178.7°	90.0°
C1	C2	H1	C78	180.0°	90.0°
C2	C1	C3	O1	70.7°	90.0°
C2	C1	C75	C74	178.3°	90.0°
C1	C2	C78	C77	0.4°	90.0°
C1	C2	C78	H103	179.7°	90.0°
C2	C1	C3	N1	107.2°	90.0°
C2	C1	C75	N18	1.4°	90.0°
C3	C1	C2	H1	0.8°	90.0°
C1	C3	O1	N1	177.7°	90.0°
C1	C3	N1	C4	179.0°	90.0°
C1	C3	N1	H2	1.0°	90.0°
C3	C1	C75	C74	3.0°	90.0°
C3	C1	C2	C78	179.2°	90.0°
C3	C1	C75	N18	179.9°	90.0°
H1	C2	C78	C77	179.6°	90.0°
H1	C2	C78	H103	0.3°	90.0°
H1	C2	C1	C75	179.5°	90.0°
O1	C3	N1	C4	1.1°	90.0°
O1	C3	N1	H2	178.9°	90.0°
O1	C3	C1	C75	110.6°	90.0°
C4	N1	H2	C3	180.0°	90.0°
N1	C4	C5	C6	124.4°	90.0°
N1	C4	C5	H3	119.4°	90.0°
N1	C4	C6	H3	118.2°	90.0°
N1	C4	C5	O2	119.7°	90.0°
N1	C4	C6	C7	179.5°	90.0°
N1	C4	C6	H4	59.1°	90.0°
N1	C4	C6	H5	60.0°	90.0°
N1	C4	C5	N3	58.6°	90.0°
H2	N1	C4	C5	141.9°	90.0°
H2	N1	C4	C6	18.5°	90.0°
H2	N1	C4	H3	99.2°	90.0°
C5	C4	C6	H3	116.2°	90.0°
C4	C5	O2	N3	178.2°	90.0°
C5	C4	C6	C7	54.9°	90.0°
C5	C4	C6	H4	175.4°	90.0°
C5	C4	C6	H5	65.5°	90.0°
C4	C5	N3	C15	172.3°	90.0°
C4	C5	N3	H12	7.7°	90.0°
C5	C4	N1	C3	38.1°	90.0°
C6	C4	C5	O2	115.9°	90.0°
C4	C6	C7	H4	120.4°	90.0°
C4	C6	C7	H5	120.5°	90.0°
C4	C6	H4	H5	118.7°	90.0°
C4	C6	C7	C8	109.4°	90.0°
C4	C6	C7	C9	69.6°	90.0°
C6	C4	N1	C3	161.5°	90.0°
C6	C4	C5	N3	65.8°	90.0°
H3	C4	C5	O2	0.4°	90.0°
H3	C4	C6	C7	61.3°	90.0°
H3	C4	C6	H4	59.2°	90.0°
H3	C4	C6	H5	178.3°	90.0°
H3	C4	N1	C3	80.8°	90.0°
H3	C4	C5	N3	177.9°	90.0°
O2	C5	N3	C15	9.4°	90.0°
O2	C5	N3	H12	170.6°	90.0°
C7	C6	H4	H5	118.7°	90.0°
C6	C7	C8	C9	179.2°	90.0°
C6	C7	C8	N2	179.2°	90.0°
C6	C7	C8	H6	0.9°	90.0°
C6	C7	C9	C10	179.3°	90.0°
C6	C7	C9	C11	1.1°	90.0°
H4	C6	C7	C8	130.2°	90.0°
H4	C6	C7	C9	50.8°	90.0°
H5	C6	C7	C8	11.1°	90.0°
H5	C6	C7	C9	169.9°	90.0°
C7	C8	N2	H6	180.0°	90.0°
C8	C7	C9	C10	0.2°	90.0°
C8	C7	C9	C11	179.7°	90.0°
C7	C8	N2	C10	0.2°	90.0°
C7	C8	N2	H7	179.8°	90.0°
C9	C7	C8	N2	0.0°	90.0°
C9	C7	C8	H6	180.0°	90.0°
C7	C9	C10	C11	179.6°	90.0°
C7	C9	C10	N2	0.3°	90.0°
C7	C9	C10	C12	179.6°	90.0°
C7	C9	C11	C13	179.6°	90.0°
C7	C9	C11	H8	0.4°	90.0°
C8	N2	C10	C9	0.3°	90.0°
C8	N2	C10	H7	180.0°	90.0°
C8	N2	C10	C12	179.6°	90.0°
H6	C8	N2	C10	179.8°	90.0°
H6	C8	N2	H7	0.2°	90.0°
C9	C10	N2	C12	179.9°	90.0°
C9	C10	N2	H7	179.7°	90.0°
C10	C9	C11	C13	0.1°	90.0°
C10	C9	C11	H8	179.9°	90.0°
C9	C10	C12	C14	0.2°	90.0°
C9	C10	C12	H9	179.8°	90.0°
C11	C9	C10	N2	179.9°	90.0°
C11	C9	C10	C12	0.0°	90.0°
C9	C11	C13	H8	180.0°	90.0°
C9	C11	C13	C14	0.0°	90.0°
C9	C11	C13	H10	180.0°	90.0°
N2	C10	C12	C14	179.9°	90.0°
N2	C10	C12	H9	0.1°	90.0°
H7	N2	C10	C12	0.4°	90.0°
C10	C12	C14	H9	180.0°	90.0°
C10	C12	C14	C13	0.3°	90.0°
C10	C12	C14	H11	179.7°	90.0°
C11	C13	C14	C12	0.1°	90.0°
C11	C13	C14	H10	180.0°	90.0°
C11	C13	C14	H11	179.9°	90.0°
H8	C11	C13	C14	180.0°	90.0°
H8	C11	C13	H10	0.0°	90.0°
C12	C14	C13	H11	180.0°	90.0°
C12	C14	C13	H10	179.8°	90.0°
H9	C12	C14	C13	179.7°	90.0°
H9	C12	C14	H11	0.3°	90.0°
H10	C13	C14	H11	0.2°	90.0°
C15	N3	H12	C5	180.0°	90.0°
N3	C15	C16	H13	121.1°	90.0°
N3	C15	C16	H14	121.1°	90.0°
N3	C15	H13	H14	116.6°	90.0°
N3	C15	C16	O3	178.6°	90.0°
N3	C15	C16	N4	3.3°	90.0°
H12	N3	C15	C16	86.2°	90.0°
H12	N3	C15	H13	152.8°	90.0°
H12	N3	C15	H14	34.9°	90.0°
C16	C15	H13	H14	116.5°	90.0°
C15	C16	O3	N4	178.0°	90.0°
C15	C16	N4	C17	172.6°	90.0°
C15	C16	N4	H15	7.4°	90.0°
C16	C15	N3	C5	93.8°	90.0°
H13	C15	C16	O3	60.3°	90.0°
H13	C15	N3	C5	27.2°	90.0°
H13	C15	C16	N4	117.8°	90.0°
H14	C15	C16	O3	57.6°	90.0°
H14	C15	N3	C5	145.1°	90.0°
H14	C15	C16	N4	124.4°	90.0°
O3	C16	N4	C17	9.4°	90.0°
O3	C16	N4	H15	170.6°	90.0°
C17	N4	H15	C16	180.0°	90.0°
N4	C17	C18	C19	123.4°	90.0°
N4	C17	C18	H16	119.5°	90.0°
N4	C17	C19	H16	119.5°	90.0°
N4	C17	C18	O4	56.0°	90.0°
N4	C17	C19	C20	178.1°	90.0°
N4	C17	C19	H17	61.5°	90.0°
N4	C17	C19	H18	57.6°	90.0°
N4	C17	C18	N5	126.4°	90.0°
H15	N4	C17	C18	103.7°	90.0°
H15	N4	C17	C19	18.4°	90.0°
H15	N4	C17	H16	137.3°	90.0°
C18	C17	C19	H16	117.2°	90.0°
C17	C18	O4	N5	177.4°	90.0°
C18	C17	C19	C20	54.8°	90.0°
C18	C17	C19	H17	175.2°	90.0°
C18	C17	C19	H18	65.7°	90.0°
C17	C18	N5	C26	179.9°	90.0°
C17	C18	N5	H24	0.1°	90.0°
C18	C17	N4	C16	76.3°	90.0°
C19	C17	C18	O4	67.4°	90.0°
C17	C19	C20	H17	120.4°	90.0°
C17	C19	C20	H18	120.5°	90.0°
C17	C19	H17	H18	118.5°	90.0°
C17	C19	C20	C21	79.8°	90.0°
C17	C19	C20	C22	97.3°	90.0°
C19	C17	N4	C16	161.7°	90.0°
C19	C17	C18	N5	110.2°	90.0°
H16	C17	C18	O4	175.5°	90.0°
H16	C17	C19	C20	62.4°	90.0°
H16	C17	C19	H17	58.1°	90.0°
H16	C17	C19	H18	177.1°	90.0°
H16	C17	N4	C16	42.7°	90.0°
H16	C17	C18	N5	6.9°	90.0°
O4	C18	N5	C26	2.6°	90.0°
O4	C18	N5	H24	177.4°	90.0°
C20	C19	H17	H18	118.6°	90.0°
C19	C20	C21	C22	177.2°	90.0°
C19	C20	C21	C23	179.3°	90.0°
C19	C20	C21	H19	0.7°	90.0°
C19	C20	C22	C24	179.1°	90.0°
C19	C20	C22	H20	0.9°	90.0°
H17	C19	C20	C21	40.6°	90.0°
H17	C19	C20	C22	142.3°	90.0°
H18	C19	C20	C21	159.7°	90.0°
H18	C19	C20	C22	23.2°	90.0°
C20	C21	C23	H19	180.0°	90.0°
C21	C20	C22	C24	2.0°	90.0°
C21	C20	C22	H20	178.0°	90.0°
C20	C21	C23	C25	1.3°	90.0°
C20	C21	C23	H21	178.7°	90.0°
C22	C20	C21	C23	2.1°	90.0°
C22	C20	C21	H19	177.9°	90.0°
C20	C22	C24	H20	180.0°	90.0°
C20	C22	C24	C25	1.1°	90.0°
C20	C22	C24	H22	178.9°	90.0°
C21	C23	C25	H21	180.0°	90.0°
C21	C23	C25	C24	0.4°	90.0°
C21	C23	C25	H23	179.6°	90.0°
H19	C21	C23	C25	178.7°	90.0°
H19	C21	C23	H21	1.3°	90.0°
C22	C24	C25	C23	0.2°	90.0°
C22	C24	C25	H22	180.0°	90.0°
C22	C24	C25	H23	179.7°	90.0°
H20	C22	C24	C25	178.9°	90.0°
H20	C22	C24	H22	1.1°	90.0°
C23	C25	C24	H23	180.0°	90.0°
C23	C25	C24	H22	179.7°	90.0°
H21	C23	C25	C24	179.6°	90.0°
H21	C23	C25	H23	0.4°	90.0°
H22	C24	C25	H23	0.3°	90.0°
C26	N5	H24	C18	180.0°	90.0°
N5	C26	C27	C28	123.6°	90.0°
N5	C26	C27	H25	118.3°	90.0°
N5	C26	C28	H25	119.5°	90.0°
N5	C26	C27	O5	51.8°	90.0°
N5	C26	C28	C29	50.0°	90.0°
N5	C26	C28	C30	174.0°	90.0°
N5	C26	C28	H26	67.7°	90.0°
N5	C26	C27	N6	127.5°	90.0°
H24	N5	C26	C27	67.8°	90.0°
H24	N5	C26	C28	55.3°	90.0°
H24	N5	C26	H25	174.3°	90.0°
C27	C26	C28	H25	118.2°	90.0°
C26	C27	O5	N6	179.2°	90.0°
C27	C26	C28	C29	172.3°	90.0°
C27	C26	C28	C30	63.7°	90.0°
C27	C26	C28	H26	54.6°	90.0°
C26	C27	N6	C32	177.4°	90.0°
C26	C27	N6	H35	2.6°	90.0°
C27	C26	N5	C18	112.2°	90.0°
C28	C26	C27	O5	71.8°	90.0°
C26	C28	C29	C30	122.0°	90.0°
C26	C28	C29	H26	117.6°	90.0°
C26	C28	C30	H26	118.3°	90.0°
C26	C28	C29	C31	155.2°	90.0°
C26	C28	C29	H27	34.4°	90.0°
C26	C28	C29	H28	84.0°	90.0°
C26	C28	C30	H29	180.0°	90.0°
C26	C28	C30	H30	60.0°	90.0°
C26	C28	C30	H31	60.0°	90.0°
C28	C26	N5	C18	124.6°	90.0°
C28	C26	C27	N6	108.9°	90.0°
H25	C26	C27	O5	170.1°	90.0°
H25	C26	C28	C29	69.5°	90.0°
H25	C26	C28	C30	54.5°	90.0°
H25	C26	C28	H26	172.8°	90.0°
H25	C26	N5	C18	5.7°	90.0°
H25	C26	C27	N6	9.2°	90.0°
O5	C27	N6	C32	3.4°	90.0°
O5	C27	N6	H35	176.6°	90.0°
C29	C28	C30	H26	120.4°	90.0°
C28	C29	C31	H27	120.8°	90.0°
C28	C29	C31	H28	120.8°	90.0°
C28	C29	H27	H28	117.5°	90.0°
C29	C28	C30	H29	58.7°	90.0°
C29	C28	C30	H30	178.7°	90.0°
C29	C28	C30	H31	61.3°	90.0°
C28	C29	C31	H32	180.0°	90.0°
C28	C29	C31	H33	60.0°	90.0°
C28	C29	C31	H34	60.0°	90.0°
C30	C28	C29	C31	33.2°	90.0°
C30	C28	C29	H27	87.6°	90.0°
C30	C28	C29	H28	154.0°	90.0°
C28	C30	H29	H30	120.0°	90.0°
C28	C30	H29	H31	120.0°	90.0°
C28	C30	H30	H31	120.0°	90.0°
H26	C28	C29	C31	87.2°	90.0°
H26	C28	C29	H27	152.0°	90.0°
H26	C28	C29	H28	33.6°	90.0°
H26	C28	C30	H29	61.7°	90.0°
H26	C28	C30	H30	58.3°	90.0°
H26	C28	C30	H31	178.3°	90.0°
C31	C29	H27	H28	117.6°	90.0°
C29	C31	H32	H33	120.0°	90.0°
C29	C31	H32	H34	120.0°	90.0°
C29	C31	H33	H34	120.0°	90.0°
H27	C29	C31	H32	59.2°	90.0°
H27	C29	C31	H33	179.2°	90.0°
H27	C29	C31	H34	60.8°	90.0°
H28	C29	C31	H32	59.2°	90.0°
H28	C29	C31	H33	60.8°	90.0°
H28	C29	C31	H34	179.2°	90.0°
H29	C30	H30	H31	120.0°	90.0°
H32	C31	H33	H34	120.0°	90.0°
C32	N6	H35	C27	180.0°	90.0°
N6	C32	C33	C34	122.1°	90.0°
N6	C32	C33	H36	118.6°	90.0°
N6	C32	C34	H36	121.0°	90.0°
N6	C32	C33	O6	64.5°	90.0°
N6	C32	C34	C35	172.5°	90.0°
N6	C32	C34	H37	66.9°	90.0°
N6	C32	C34	H38	52.0°	90.0°
N6	C32	C33	N7	114.9°	90.0°
H35	N6	C32	C33	59.5°	90.0°
H35	N6	C32	C34	62.0°	90.0°
H35	N6	C32	H36	177.6°	90.0°
C33	C32	C34	H36	119.3°	90.0°
C32	C33	O6	N7	179.4°	90.0°
C33	C32	C34	C35	52.8°	90.0°
C33	C32	C34	H37	173.3°	90.0°
C33	C32	C34	H38	67.8°	90.0°
C32	C33	N7	C41	179.0°	90.0°
C32	C33	N7	H44	1.0°	90.0°
C33	C32	N6	C27	120.5°	90.0°
C34	C32	C33	O6	57.6°	90.0°
C32	C34	C35	H37	120.5°	90.0°
C32	C34	C35	H38	120.6°	90.0°
C32	C34	H37	H38	118.3°	90.0°
C32	C34	C35	C36	64.1°	90.0°
C32	C34	C35	C37	115.8°	90.0°
C34	C32	N6	C27	118.0°	90.0°
C34	C32	C33	N7	123.0°	90.0°
H36	C32	C33	O6	176.9°	90.0°
H36	C32	C34	C35	66.5°	90.0°
H36	C32	C34	H37	54.0°	90.0°
H36	C32	C34	H38	172.9°	90.0°
H36	C32	N6	C27	2.4°	90.0°
H36	C32	C33	N7	3.7°	90.0°
O6	C33	N7	C41	0.4°	90.0°
O6	C33	N7	H44	179.6°	90.0°
C35	C34	H37	H38	118.3°	90.0°
C34	C35	C36	C37	179.9°	90.0°
C34	C35	C36	C38	179.9°	90.0°
C34	C35	C36	H39	0.1°	90.0°
C34	C35	C37	C39	179.9°	90.0°
C34	C35	C37	H40	0.1°	90.0°
H37	C34	C35	C36	56.4°	90.0°
H37	C34	C35	C37	123.7°	90.0°
H38	C34	C35	C36	175.3°	90.0°
H38	C34	C35	C37	4.8°	90.0°
C35	C36	C38	H39	180.0°	90.0°
C36	C35	C37	C39	0.2°	90.0°
C36	C35	C37	H40	179.8°	90.0°
C35	C36	C38	C40	0.2°	90.0°
C35	C36	C38	H41	179.8°	90.0°
C37	C35	C36	C38	0.2°	90.0°
C37	C35	C36	H39	179.8°	90.0°
C35	C37	C39	H40	180.0°	90.0°
C35	C37	C39	C40	0.1°	90.0°
C35	C37	C39	H42	180.0°	90.0°
C36	C38	C40	H41	180.0°	90.0°
C36	C38	C40	C39	0.1°	90.0°
C36	C38	C40	O7	179.8°	90.0°
H39	C36	C38	C40	179.8°	90.0°
H39	C36	C38	H41	0.2°	90.0°
C37	C39	C40	C38	0.0°	90.0°
C37	C39	C40	H42	180.0°	90.0°
C37	C39	C40	O7	179.9°	90.0°
H40	C37	C39	C40	179.9°	90.0°
H40	C37	C39	H42	0.1°	90.0°
C38	C40	C39	O7	179.9°	90.0°
C38	C40	C39	H42	180.0°	90.0°
C38	C40	O7	H43	180.0°	90.0°
H41	C38	C40	C39	180.0°	90.0°
H41	C38	C40	O7	0.2°	90.0°
C39	C40	O7	H43	0.1°	90.0°
H42	C39	C40	O7	0.1°	90.0°
C41	N7	H44	C33	180.0°	90.0°
N7	C41	C42	C43	123.7°	90.0°
N7	C41	C42	H45	119.1°	90.0°
N7	C41	C43	H45	117.7°	90.0°
N7	C41	C42	O8	61.3°	90.0°
N7	C41	C43	C44	63.2°	90.0°
N7	C41	C43	H46	57.4°	90.0°
N7	C41	C43	H47	176.3°	90.0°
N7	C41	C42	N9	118.2°	90.0°
H44	N7	C41	C42	132.7°	90.0°
H44	N7	C41	C43	103.2°	90.0°
H44	N7	C41	H45	14.1°	90.0°
C42	C41	C43	H45	117.2°	90.0°
C41	C42	O8	N9	179.5°	90.0°
C42	C41	C43	C44	171.7°	90.0°
C42	C41	C43	H46	67.7°	90.0°
C42	C41	C43	H47	51.1°	90.0°
C41	C42	N9	C47	173.7°	90.0°
C41	C42	N9	H57	6.3°	90.0°
C42	C41	N7	C33	47.3°	90.0°
C43	C41	C42	O8	174.9°	90.0°
C41	C43	C44	H46	120.5°	90.0°
C41	C43	C44	H47	120.6°	90.0°
C41	C43	H46	H47	118.3°	90.0°
C41	C43	C44	C45	167.7°	90.0°
C41	C43	C44	H48	47.4°	90.0°
C41	C43	C44	H49	72.1°	90.0°
C43	C41	N7	C33	76.8°	90.0°
C43	C41	C42	N9	5.5°	90.0°
H45	C41	C42	O8	57.8°	90.0°
H45	C41	C43	C44	54.6°	90.0°
H45	C41	C43	H46	175.1°	90.0°
H45	C41	C43	H47	66.0°	90.0°
H45	C41	N7	C33	166.0°	90.0°
H45	C41	C42	N9	122.7°	90.0°
O8	C42	N9	C47	6.7°	90.0°
O8	C42	N9	H57	173.3°	90.0°
C44	C43	H46	H47	118.3°	90.0°
C43	C44	C45	H48	120.3°	90.0°
C43	C44	C45	H49	120.3°	90.0°
C43	C44	H48	H49	119.1°	90.0°
C43	C44	C45	C46	174.5°	90.0°
C43	C44	C45	H50	65.2°	90.0°
C43	C44	C45	H51	54.3°	90.0°
H46	C43	C44	C45	71.8°	90.0°
H46	C43	C44	H48	168.0°	90.0°
H46	C43	C44	H49	48.5°	90.0°
H47	C43	C44	C45	47.1°	90.0°
H47	C43	C44	H48	73.1°	90.0°
H47	C43	C44	H49	167.4°	90.0°
C45	C44	H48	H49	119.2°	90.0°
C44	C45	C46	H50	120.3°	90.0°
C44	C45	C46	H51	120.2°	90.0°
C44	C45	H50	H51	119.3°	90.0°
C44	C45	C46	N8	177.8°	90.0°
C44	C45	C46	H52	57.8°	90.0°
C44	C45	C46	H53	62.2°	90.0°
H48	C44	C45	C46	54.3°	90.0°
H48	C44	C45	H50	174.5°	90.0°
H48	C44	C45	H51	65.9°	90.0°
H49	C44	C45	C46	65.2°	90.0°
H49	C44	C45	H50	55.0°	90.0°
H49	C44	C45	H51	174.6°	90.0°
C46	C45	H50	H51	119.2°	90.0°
C45	C46	N8	H52	120.0°	90.0°
C45	C46	N8	H53	120.0°	90.0°
C45	C46	H52	H53	119.9°	90.0°
C45	C46	N8	H54	180.0°	90.0°
C45	C46	N8	H55	60.0°	90.0°
C45	C46	N8	H56	60.0°	90.0°
H50	C45	C46	N8	62.0°	90.0°
H50	C45	C46	H52	178.0°	90.0°
H50	C45	C46	H53	58.1°	90.0°
H51	C45	C46	N8	57.5°	90.0°
H51	C45	C46	H52	62.5°	90.0°
H51	C45	C46	H53	177.6°	90.0°
N8	C46	H52	H53	120.0°	90.0°
C46	N8	H54	H55	120.0°	90.0°
C46	N8	H54	H56	120.0°	90.0°
C46	N8	H55	H56	120.0°	90.0°
H52	C46	N8	H54	60.0°	90.0°
H52	C46	N8	H55	180.0°	90.0°
H52	C46	N8	H56	60.0°	90.0°
H53	C46	N8	H54	60.0°	90.0°
H53	C46	N8	H55	60.1°	90.0°
H53	C46	N8	H56	180.0°	90.0°
H54	N8	H55	H56	120.0°	90.0°
C47	N9	H57	C42	180.0°	90.0°
N9	C47	C48	C49	123.5°	90.0°
N9	C47	C48	H58	120.2°	90.0°
N9	C47	C49	H58	117.9°	90.0°
N9	C47	C48	O9	178.6°	90.0°
N9	C47	C49	O10	37.0°	90.0°
N9	C47	C49	C50	84.0°	90.0°
N9	C47	C49	H59	157.2°	90.0°
N9	C47	C48	N10	2.5°	90.0°
H57	N9	C47	C48	86.3°	90.0°
H57	N9	C47	C49	36.6°	90.0°
H57	N9	C47	H58	153.9°	90.0°
C48	C47	C49	H58	116.4°	90.0°
C47	C48	O9	N10	178.8°	90.0°
C48	C47	C49	O10	88.7°	90.0°
C48	C47	C49	C50	150.3°	90.0°
C48	C47	C49	H59	31.5°	90.0°
C47	C48	N10	C51	175.6°	90.0°
C47	C48	N10	H64	4.5°	90.0°
C48	C47	N9	C42	93.7°	90.0°
C49	C47	C48	O9	55.2°	90.0°
C47	C49	O10	C50	121.1°	90.0°
C47	C49	O10	H59	119.4°	90.0°
C47	C49	C50	H59	118.9°	90.0°
C47	C49	O10	H60	180.0°	90.0°
C47	C49	C50	H61	180.0°	90.0°
C47	C49	C50	H62	60.0°	90.0°
C47	C49	C50	H63	60.0°	90.0°
C49	C47	N9	C42	143.4°	90.0°
C49	C47	C48	N10	126.0°	90.0°
H58	C47	C48	O9	61.2°	90.0°
H58	C47	C49	O10	154.8°	90.0°
H58	C47	C49	C50	33.9°	90.0°
H58	C47	C49	H59	84.9°	90.0°
H58	C47	N9	C42	26.1°	90.0°
H58	C47	C48	N10	117.7°	90.0°
O9	C48	N10	C51	5.6°	90.0°
O9	C48	N10	H64	174.4°	90.0°
O10	C49	C50	H59	120.4°	90.0°
O10	C49	C50	H61	59.3°	90.0°
O10	C49	C50	H62	179.3°	90.0°
O10	C49	C50	H63	60.7°	90.0°
C50	C49	O10	H60	58.9°	90.0°
C49	C50	H61	H62	120.0°	90.0°
C49	C50	H61	H63	120.0°	90.0°
C49	C50	H62	H63	120.0°	90.0°
H59	C49	O10	H60	60.6°	90.0°
H59	C49	C50	H61	61.1°	90.0°
H59	C49	C50	H62	58.9°	90.0°
H59	C49	C50	H63	178.9°	90.0°
H61	C50	H62	H63	120.0°	90.0°
C51	N10	H64	C48	180.0°	90.0°
N10	C51	C52	C53	122.1°	90.0°
N10	C51	C52	H65	119.9°	90.0°
N10	C51	C53	H65	119.4°	90.0°
N10	C51	C52	O11	17.7°	90.0°
N10	C51	C53	C54	54.0°	90.0°
N10	C51	C53	H66	66.8°	90.0°
N10	C51	C53	H67	174.8°	90.0°
N10	C51	C52	N11	162.7°	90.0°
H64	N10	C51	C52	105.5°	90.0°
H64	N10	C51	C53	16.3°	90.0°
H64	N10	C51	H65	135.1°	90.0°
C52	C51	C53	H65	118.0°	90.0°
C51	C52	O11	N11	179.6°	90.0°
C52	C51	C53	C54	176.6°	90.0°
C52	C51	C53	H66	55.8°	90.0°
C52	C51	C53	H67	62.5°	90.0°
C51	C52	N11	C57	172.4°	90.0°
C51	C52	N11	H75	7.6°	90.0°
C52	C51	N10	C48	74.4°	90.0°
C53	C51	C52	O11	104.4°	90.0°
C51	C53	C54	H66	120.8°	90.0°
C51	C53	C54	H67	120.8°	90.0°
C51	C53	H66	H67	117.4°	90.0°
C51	C53	C54	C55	178.3°	90.0°
C51	C53	C54	C56	58.7°	90.0°
C51	C53	C54	H68	60.1°	90.0°
C53	C51	N10	C48	163.8°	90.0°
C53	C51	C52	N11	75.2°	90.0°
H65	C51	C52	O11	137.6°	90.0°
H65	C51	C53	C54	65.4°	90.0°
H65	C51	C53	H66	173.8°	90.0°
H65	C51	C53	H67	55.4°	90.0°
H65	C51	N10	C48	44.9°	90.0°
H65	C51	C52	N11	42.8°	90.0°
O11	C52	N11	C57	7.3°	90.0°
O11	C52	N11	H75	172.7°	90.0°
C54	C53	H66	H67	117.4°	90.0°
C53	C54	C55	C56	122.7°	90.0°
C53	C54	C55	H68	118.2°	90.0°
C53	C54	C56	H68	118.9°	90.0°
C53	C54	C55	H69	180.0°	90.0°
C53	C54	C55	H70	60.0°	90.0°
C53	C54	C55	H71	60.0°	90.0°
C53	C54	C56	H72	180.0°	90.0°
C53	C54	C56	H73	60.0°	90.0°
C53	C54	C56	H74	60.0°	90.0°
H66	C53	C54	C55	57.5°	90.0°
H66	C53	C54	C56	179.5°	90.0°
H66	C53	C54	H68	60.7°	90.0°
H67	C53	C54	C55	60.9°	90.0°
H67	C53	C54	C56	62.1°	90.0°
H67	C53	C54	H68	179.1°	90.0°
C55	C54	C56	H68	119.2°	90.0°
C54	C55	H69	H70	120.0°	90.0°
C54	C55	H69	H71	120.0°	90.0°
C54	C55	H70	H71	120.0°	90.0°
C55	C54	C56	H72	58.1°	90.0°
C55	C54	C56	H73	61.9°	90.0°
C55	C54	C56	H74	178.1°	90.0°
C56	C54	C55	H69	57.3°	90.0°
C56	C54	C55	H70	177.3°	90.0°
C56	C54	C55	H71	62.7°	90.0°
C54	C56	H72	H73	120.0°	90.0°
C54	C56	H72	H74	120.0°	90.0°
C54	C56	H73	H74	120.0°	90.0°
H68	C54	C55	H69	61.8°	90.0°
H68	C54	C55	H70	58.2°	90.0°
H68	C54	C55	H71	178.2°	90.0°
H68	C54	C56	H72	61.1°	90.0°
H68	C54	C56	H73	179.0°	90.0°
H68	C54	C56	H74	58.9°	90.0°
H69	C55	H70	H71	120.0°	90.0°
H72	C56	H73	H74	120.0°	90.0°
C57	N11	H75	C52	180.0°	90.0°
N11	C57	C58	C59	122.4°	90.0°
N11	C57	C58	H76	119.3°	90.0°
N11	C57	C59	H76	120.3°	90.0°
N11	C57	C58	O12	27.8°	90.0°
N11	C57	C59	C60	64.2°	90.0°
N11	C57	C59	H77	56.5°	90.0°
N11	C57	C59	H78	175.1°	90.0°
N11	C57	C58	N13	171.2°	90.0°
H75	N11	C57	C58	114.6°	90.0°
H75	N11	C57	C59	6.8°	90.0°
H75	N11	C57	H76	126.6°	90.0°
C58	C57	C59	H76	118.3°	90.0°
C57	C58	O12	N13	164.2°	90.0°
C58	C57	C59	C60	174.5°	90.0°
C58	C57	C59	H77	64.8°	90.0°
C58	C57	C59	H78	53.8°	90.0°
C57	C58	N13	C63	155.8°	90.0°
C57	C58	N13	H88	24.1°	90.0°
C58	C57	N11	C52	65.4°	90.0°
C59	C57	C58	O12	94.6°	90.0°
C57	C59	C60	H77	120.7°	90.0°
C57	C59	C60	H78	120.7°	90.0°
C57	C59	H77	H78	117.9°	90.0°
C57	C59	C60	C61	112.5°	90.0°
C57	C59	C60	H79	7.7°	90.0°
C57	C59	C60	H80	127.3°	90.0°
C59	C57	N11	C52	173.2°	90.0°
C59	C57	C58	N13	66.4°	90.0°
H76	C57	C58	O12	147.2°	90.0°
H76	C57	C59	C60	56.2°	90.0°
H76	C57	C59	H77	176.9°	90.0°
H76	C57	C59	H78	64.5°	90.0°
H76	C57	N11	C52	53.4°	90.0°
H76	C57	C58	N13	51.8°	90.0°
O12	C58	N13	C63	6.6°	90.0°
O12	C58	N13	H88	173.4°	90.0°
C60	C59	H77	H78	117.8°	90.0°
C59	C60	C61	H79	120.2°	90.0°
C59	C60	C61	H80	120.2°	90.0°
C59	C60	H79	H80	119.4°	90.0°
C59	C60	C61	C62	162.0°	90.0°
C59	C60	C61	H81	41.6°	90.0°
C59	C60	C61	H82	77.6°	90.0°
H77	C59	C60	C61	126.8°	90.0°
H77	C59	C60	H79	113.0°	90.0°
H77	C59	C60	H80	6.6°	90.0°
H78	C59	C60	C61	8.2°	90.0°
H78	C59	C60	H79	128.4°	90.0°
H78	C59	C60	H80	112.0°	90.0°
C61	C60	H79	H80	119.4°	90.0°
C60	C61	C62	H81	120.4°	90.0°
C60	C61	C62	H82	120.4°	90.0°
C60	C61	H81	H82	118.9°	90.0°
C60	C61	C62	N12	155.9°	90.0°
C60	C61	C62	H83	35.9°	90.0°
C60	C61	C62	H84	84.1°	90.0°
H79	C60	C61	C62	77.8°	90.0°
H79	C60	C61	H81	161.8°	90.0°
H79	C60	C61	H82	42.6°	90.0°
H80	C60	C61	C62	41.8°	90.0°
H80	C60	C61	H81	78.6°	90.0°
H80	C60	C61	H82	162.2°	90.0°
C62	C61	H81	H82	118.9°	90.0°
C61	C62	N12	H83	120.0°	90.0°
C61	C62	N12	H84	120.0°	90.0°
C61	C62	H83	H84	120.0°	90.0°
C61	C62	N12	H85	180.0°	90.0°
C61	C62	N12	H86	60.0°	90.0°
C61	C62	N12	H87	60.0°	90.0°
H81	C61	C62	N12	83.8°	90.0°
H81	C61	C62	H83	156.2°	90.0°
H81	C61	C62	H84	36.2°	90.0°
H82	C61	C62	N12	35.5°	90.0°
H82	C61	C62	H83	84.5°	90.0°
H82	C61	C62	H84	155.5°	90.0°
N12	C62	H83	H84	120.0°	90.0°
C62	N12	H85	H86	120.0°	90.0°
C62	N12	H85	H87	120.0°	90.0°
C62	N12	H86	H87	120.0°	90.0°
H83	C62	N12	H85	60.0°	90.0°
H83	C62	N12	H86	180.0°	90.0°
H83	C62	N12	H87	60.0°	90.0°
H84	C62	N12	H85	60.0°	90.0°
H84	C62	N12	H86	60.0°	90.0°
H84	C62	N12	H87	180.0°	90.0°
H85	N12	H86	H87	120.0°	90.0°
C63	N13	H88	C58	180.0°	90.0°
N13	C63	C64	C65	179.9°	90.0°
N13	C63	C64	H89	179.9°	90.0°
N13	C63	C64	H90	0.1°	90.0°
N13	C63	C65	O13	38.4°	90.0°
N13	C63	C65	N14	140.1°	90.0°
H88	N13	C63	C64	41.6°	90.0°
H88	N13	C63	C65	138.5°	90.0°
C63	C64	H89	H90	179.9°	90.0°
C64	C63	C65	O13	141.7°	90.0°
C64	C63	N13	C58	138.4°	90.0°
C64	C63	C65	N14	39.8°	90.0°
C65	C63	C64	H89	0.0°	90.0°
C65	C63	C64	H90	180.0°	90.0°
C63	C65	O13	N14	178.4°	90.0°
C63	C65	N14	C66	178.5°	90.0°
C63	C65	N14	H91	1.5°	90.0°
C65	C63	N13	C58	41.5°	90.0°
O13	C65	N14	C66	0.1°	90.0°
O13	C65	N14	H91	179.9°	90.0°
C66	N14	H91	C65	180.0°	90.0°
N14	C66	C67	C68	178.2°	90.0°
N14	C66	C67	H92	178.2°	90.0°
N14	C66	C67	H93	1.8°	90.0°
N14	C66	C68	O14	135.2°	90.0°
N14	C66	C68	N15	44.3°	90.0°
H91	N14	C66	C67	44.8°	90.0°
H91	N14	C66	C68	137.0°	90.0°
C66	C67	H92	H93	180.0°	90.0°
C67	C66	C68	O14	43.1°	90.0°
C67	C66	N14	C65	135.2°	90.0°
C67	C66	C68	N15	137.4°	90.0°
C68	C66	C67	H92	0.0°	90.0°
C68	C66	C67	H93	180.0°	90.0°
C66	C68	O14	N15	179.4°	90.0°
C66	C68	N15	C69	167.8°	90.0°
C66	C68	N15	H94	12.2°	90.0°
C68	C66	N14	C65	43.1°	90.0°
O14	C68	N15	C69	11.6°	90.0°
O14	C68	N15	H94	168.3°	90.0°
C69	N15	H94	C68	180.0°	90.0°
N15	C69	C70	H95	121.3°	90.0°
N15	C69	C70	H96	121.2°	90.0°
N15	C69	H95	H96	116.1°	90.0°
N15	C69	C70	O15	165.1°	90.0°
N15	C69	C70	N16	14.5°	90.0°
H94	N15	C69	C70	94.7°	90.0°
H94	N15	C69	H95	26.6°	90.0°
H94	N15	C69	H96	144.1°	90.0°
C70	C69	H95	H96	116.1°	90.0°
C69	C70	O15	N16	147.0°	90.0°
C69	C70	N16	C71	174.1°	90.0°
C69	C70	N16	H97	5.8°	90.0°
C70	C69	N15	C68	85.3°	90.0°
H95	C69	C70	O15	73.6°	90.0°
H95	C69	N15	C68	153.5°	90.0°
H95	C69	C70	N16	135.7°	90.0°
H96	C69	C70	O15	43.8°	90.0°
H96	C69	N15	C68	36.0°	90.0°
H96	C69	C70	N16	106.8°	90.0°
O15	C70	N16	C71	24.6°	90.0°
O15	C70	N16	H97	155.4°	90.0°
C71	N16	H97	C70	180.0°	90.0°
N16	C71	C72	C73	176.6°	90.0°
N16	C71	C72	H98	176.7°	90.0°
N16	C71	C72	H99	3.3°	90.0°
N16	C71	C73	N17	6.3°	90.0°
N16	C71	C73	S1	171.5°	90.0°
H97	N16	C71	C72	148.2°	90.0°
H97	N16	C71	C73	28.7°	90.0°
C71	C72	H98	H99	180.0°	90.0°
C72	C71	N16	C70	31.8°	90.0°
C72	C71	C73	N17	176.9°	90.0°
C72	C71	C73	S1	5.3°	90.0°
C73	C71	C72	H98	0.0°	90.0°
C73	C71	C72	H99	180.0°	90.0°
C71	C73	N17	C74	179.0°	90.0°
C71	C73	S1	C76	178.8°	90.0°
C71	C73	N17	H100	60.1°	90.0°
C73	C71	N16	C70	151.3°	90.0°
C71	C73	N17	S1	178.0°	90.0°
N17	C74	C75	C76	177.6°	90.0°
N17	C74	C76	S1	0.3°	90.0°
C74	N17	H100	C73	125.7°	90.0°
N17	C74	C76	H101	179.7°	90.0°
N17	C74	C75	C1	6.0°	90.0°
C74	N17	C73	S1	1.1°	90.0°
N17	C74	C75	N18	171.0°	90.0°
C75	C74	C76	S1	178.2°	90.0°
C75	C74	N17	H100	60.3°	90.0°
C75	C74	C76	H101	1.7°	90.0°
C74	C75	N18	C77	179.0°	90.0°
C74	C75	N18	H102	56.8°	90.0°
C74	C75	C1	N18	176.9°	90.0°
C75	C74	N17	C73	178.8°	90.0°
C74	C76	S1	H101	180.0°	90.0°
C76	C74	N17	H100	121.8°	90.0°
C76	C74	C75	C1	176.4°	90.0°
C76	C74	N17	C73	0.9°	90.0°
C74	C76	S1	C73	0.2°	90.0°
C76	C74	C75	N18	6.6°	90.0°
C76	S1	C73	N17	0.7°	90.0°
H100	N17	C73	S1	122.0°	90.0°
H101	C76	S1	C73	179.8°	90.0°
C77	N18	H102	C75	134.3°	90.0°
N18	C77	C78	C79	179.1°	90.0°
N18	C77	C78	H103	179.8°	90.0°
C77	N18	C75	C1	1.6°	90.0°
N18	C77	C78	C2	0.2°	90.0°
N18	C77	C79	N19	171.4°	90.0°
N18	C77	C79	S2	6.4°	90.0°
H102	N18	C77	C78	121.3°	90.0°
H102	N18	C77	C79	59.5°	90.0°
H102	N18	C75	C1	120.5°	90.0°
C77	C78	H103	C2	180.0°	90.0°
C78	C77	N18	C75	0.8°	90.0°
C78	C77	C79	N19	7.7°	90.0°
C78	C77	C79	S2	174.5°	90.0°
C79	C77	C78	H103	0.7°	90.0°
C77	C79	N19	C80	178.9°	90.0°
C77	C79	S2	C82	178.8°	90.0°
C77	C79	N19	H104	58.5°	90.0°
C79	C77	C78	C2	179.4°	90.0°
C79	C77	N18	C75	178.3°	90.0°
C77	C79	N19	S2	177.9°	90.0°
N19	C80	C81	C82	179.3°	90.0°
N19	C80	C81	O16	4.9°	90.0°
N19	C80	C82	S2	0.6°	90.0°
C80	N19	H104	C79	122.3°	90.0°
N19	C80	C82	H105	179.5°	90.0°
C80	N19	C79	S2	1.0°	90.0°
N19	C80	C81	O17	173.8°	90.0°
C80	C81	O16	O17	178.7°	90.0°
C81	C80	C82	S2	179.9°	90.0°
C81	C80	N19	H104	60.0°	90.0°
C81	C80	C82	H105	0.1°	90.0°
C80	C81	O17	C83	152.3°	90.0°
C81	C80	N19	C79	179.6°	90.0°
C82	C80	C81	O16	175.8°	90.0°
C80	C82	S2	H105	180.0°	90.0°
C82	C80	N19	H104	119.4°	90.0°
C82	C80	N19	C79	1.0°	90.0°
C80	C82	S2	C79	0.0°	90.0°
C82	C80	C81	O17	5.5°	90.0°
O16	C81	O17	C83	29.0°	90.0°
C82	S2	C79	N19	0.6°	90.0°
H104	N19	C79	S2	119.4°	90.0°
H105	C82	S2	C79	180.0°	90.0°
O17	C83	H106	H107	120.0°	90.0°
O17	C83	H106	H108	120.0°	90.0°
O17	C83	H107	H108	120.0°	90.0°
H106	C83	H107	H108	120.0°	90.0°
H106	C83	O17	C81	180.0°	90.0°
H107	C83	O17	C81	60.0°	90.0°
H108	C83	O17	C81	60.0°	90.0°
N1	C3	C1	C75	71.4°	90.0°
C75	C1	C2	C78	0.5°	90.0°

Release date:	2022-10-26
Last modified:	2022-10-26
Processing site:	RCSB