PRD_002381

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	1.48Å
C2	H1	sing	0.00Å	1.08Å
C3	O1	doub	0.00Å	1.23Å
N1	C4	sing	0.00Å	1.44Å
N1	H2	sing	0.00Å	1.00Å
C4	C5	sing	0.00Å	1.53Å
C4	C6	sing	0.00Å	1.54Å
C4	H3	sing	0.00Å	1.10Å
C5	O2	doub	0.00Å	1.23Å
C6	C7	sing	0.00Å	1.55Å
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	1.41Å	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	1.40Å	Aromatic
C11	H8	sing	0.00Å	1.08Å
C12	C14	doub	0.00Å	1.38Å	Aromatic
C12	H9	sing	0.00Å	1.08Å
C13	C14	sing	0.00Å	1.39Å	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	1.52Å
C15	C17	sing	0.00Å	1.57Å
C15	H13	sing	0.00Å	1.10Å
C16	O3	doub	0.00Å	1.24Å
C17	O4	sing	0.00Å	1.43Å
C17	C18	sing	0.00Å	1.53Å
C17	H14	sing	0.00Å	1.10Å
O4	H15	sing	0.00Å	0.95Å
C18	H16	sing	0.00Å	1.10Å
C18	H17	sing	0.00Å	1.10Å
C18	H18	sing	0.00Å	1.10Å
N4	C19	sing	0.00Å	1.46Å
N4	H19	sing	0.00Å	1.00Å
C19	C20	sing	0.00Å	1.53Å
C19	C21	sing	0.00Å	1.54Å
C19	H20	sing	0.00Å	1.10Å
C20	O5	doub	0.00Å	1.24Å
C21	C22	sing	0.00Å	1.53Å
C21	C23	sing	0.00Å	1.53Å
C21	H21	sing	0.00Å	1.10Å
C22	C24	sing	0.00Å	1.49Å
C22	H22	sing	0.00Å	1.10Å
C22	H23	sing	0.00Å	1.10Å
C23	H24	sing	0.00Å	1.10Å
C23	H25	sing	0.00Å	1.10Å
C23	H26	sing	0.00Å	1.10Å
C24	H27	sing	0.00Å	1.10Å
C24	H28	sing	0.00Å	1.10Å
C24	H29	sing	0.00Å	1.10Å
N5	C25	sing	0.00Å	1.46Å
N5	H30	sing	0.00Å	1.00Å
C25	C26	sing	0.00Å	1.53Å
C25	C27	sing	0.00Å	1.53Å
C25	H31	sing	0.00Å	1.10Å
C26	O6	doub	0.00Å	1.23Å
C27	C28	sing	0.00Å	1.51Å
C27	H32	sing	0.00Å	1.10Å
C27	H33	sing	0.00Å	1.10Å
C28	C29	sing	0.00Å	1.51Å
C28	H34	sing	0.00Å	1.10Å
C28	H35	sing	0.00Å	1.10Å
C29	N6	sing	0.00Å	1.46Å
C29	H36	sing	0.00Å	1.10Å
C29	H37	sing	0.00Å	1.10Å
N6	C30	sing	0.00Å	1.33Å
N6	H38	sing	0.00Å	1.00Å
C30	N7	sing	0.00Å	1.32Å
C30	N8	doub	0.00Å	1.33Å
N7	H39	sing	0.00Å	1.00Å
N7	H40	sing	0.00Å	1.00Å
N8	H41	sing	0.00Å	1.00Å
N8	H42	sing	0.00Å	1.00Å
N9	C31	sing	0.00Å	1.47Å
N9	H43	sing	0.00Å	1.00Å
C31	C32	sing	0.00Å	1.54Å
C31	C33	sing	0.00Å	1.53Å
C31	H44	sing	0.00Å	1.10Å
C32	O7	doub	0.00Å	1.24Å
C33	O8	sing	0.00Å	1.44Å
C33	C34	sing	0.00Å	1.54Å
C33	H45	sing	0.00Å	1.10Å
O8	H46	sing	0.00Å	0.95Å
C34	H47	sing	0.00Å	1.10Å
C34	H48	sing	0.00Å	1.10Å
C34	H49	sing	0.00Å	1.10Å
N10	C35	sing	0.00Å	1.47Å
N10	H50	sing	0.00Å	1.00Å
C35	C36	sing	0.00Å	1.53Å
C35	C37	sing	0.00Å	1.54Å
C35	H51	sing	0.00Å	1.10Å
C36	O9	doub	0.00Å	1.24Å
C37	C38	sing	0.00Å	1.54Å
C37	H52	sing	0.00Å	1.10Å
C37	H53	sing	0.00Å	1.10Å
C38	C39	sing	0.00Å	1.52Å
C38	H54	sing	0.00Å	1.10Å
C38	H55	sing	0.00Å	1.10Å
C39	N11	sing	0.00Å	1.46Å
C39	H56	sing	0.00Å	1.10Å
C39	H57	sing	0.00Å	1.10Å
N11	C40	sing	0.00Å	1.33Å
N11	H58	sing	0.00Å	1.00Å
C40	N12	sing	0.00Å	1.33Å
C40	N13	doub	0.00Å	1.33Å
N12	H59	sing	0.00Å	1.00Å
N12	H60	sing	0.00Å	1.00Å
N13	H61	sing	0.00Å	1.00Å
N13	H62	sing	0.00Å	1.00Å
N14	C41	sing	0.00Å	1.45Å
N14	H63	sing	0.00Å	1.00Å
C41	C42	sing	0.00Å	1.51Å
C41	H64	sing	0.00Å	1.10Å
C41	H65	sing	0.00Å	1.10Å
C42	O10	doub	0.00Å	1.23Å
N15	C43	sing	0.00Å	1.45Å
N15	H66	sing	0.00Å	1.00Å
C43	C44	sing	0.00Å	1.53Å
C43	C45	sing	0.00Å	1.53Å
C43	H67	sing	0.00Å	1.10Å
C44	O11	doub	0.00Å	1.23Å
C45	C46	sing	0.00Å	1.53Å
C45	H68	sing	0.00Å	1.10Å
C45	H69	sing	0.00Å	1.10Å
C46	C47	sing	0.00Å	1.54Å
C46	H70	sing	0.00Å	1.10Å
C46	H71	sing	0.00Å	1.10Å
C47	N16	sing	0.00Å	1.46Å
C47	H72	sing	0.00Å	1.10Å
C47	H73	sing	0.00Å	1.10Å
N16	C48	sing	0.00Å	1.33Å
N16	H74	sing	0.00Å	1.00Å
C48	N17	sing	0.00Å	1.33Å
C48	N18	doub	0.00Å	1.33Å
N17	H75	sing	0.00Å	1.00Å
N17	H76	sing	0.00Å	1.00Å
N18	H77	sing	0.00Å	1.00Å
N18	H78	sing	0.00Å	1.00Å
N19	C49	sing	0.00Å	1.45Å
N19	H79	sing	0.00Å	1.00Å
C49	C50	sing	0.00Å	1.52Å
C49	C51	sing	0.00Å	1.55Å
C49	H80	sing	0.00Å	1.10Å
C50	O12	doub	0.00Å	1.23Å
C51	C52	sing	0.00Å	1.54Å
C51	C53	sing	0.00Å	1.53Å
C51	H81	sing	0.00Å	1.10Å
C52	C54	sing	0.00Å	1.51Å
C52	H82	sing	0.00Å	1.10Å
C52	H83	sing	0.00Å	1.10Å
C53	H84	sing	0.00Å	1.10Å
C53	H85	sing	0.00Å	1.10Å
C53	H86	sing	0.00Å	1.10Å
C54	H87	sing	0.00Å	1.10Å
C54	H88	sing	0.00Å	1.10Å
C54	H89	sing	0.00Å	1.10Å
N20	C55	sing	0.00Å	1.45Å
N20	H90	sing	0.00Å	1.00Å
C55	C56	sing	0.00Å	1.53Å
C55	C57	sing	0.00Å	1.53Å
C55	H91	sing	0.00Å	1.10Å
C56	O13	doub	0.00Å	1.23Å
C57	H92	sing	0.00Å	1.10Å
C57	H93	sing	0.00Å	1.10Å
C57	H94	sing	0.00Å	1.10Å
N21	C58	sing	0.00Å	1.47Å
N21	H95	sing	0.00Å	1.00Å
C58	C59	sing	0.00Å	1.50Å
C58	C60	sing	0.00Å	1.53Å
C58	H96	sing	0.00Å	1.10Å
C60	O14	sing	0.00Å	1.43Å
C60	C61	sing	0.00Å	1.52Å
C60	H97	sing	0.00Å	1.10Å
O14	H98	sing	0.00Å	0.95Å
C61	H99	sing	0.00Å	1.10Å
C61	H100	sing	0.00Å	1.10Å
C61	H101	sing	0.00Å	1.10Å
N22	C62	sing	0.00Å	1.43Å
C62	C63	sing	0.00Å	1.49Å
C62	C64	doub	0.00Å	1.38Å
C63	O15	doub	0.00Å	1.23Å
C64	S1	sing	0.00Å	1.69Å
N22	H102	sing	0.00Å	1.00Å
C64	H103	sing	0.00Å	1.08Å
N23	C65	sing	0.00Å	1.43Å
N23	H104	sing	0.00Å	1.00Å
C65	C66	doub	0.00Å	1.35Å
C65	C67	sing	0.00Å	1.48Å
C66	H105	sing	0.00Å	1.08Å
C66	H106	sing	0.00Å	1.08Å
N24	C68	sing	0.00Å	1.39Å
C68	C69	sing	0.00Å	1.47Å
C68	C70	doub	0.00Å	1.37Å
C70	S2	sing	0.00Å	1.71Å
N24	H107	sing	0.00Å	1.00Å
C70	H108	sing	0.00Å	1.08Å
N25	C71	sing	0.00Å	1.33Å
N25	H109	sing	0.00Å	1.00Å
C71	C72	doub	0.00Å	1.41Å
C71	C73	sing	0.00Å	1.47Å
C72	H110	sing	0.00Å	1.08Å
N26	C74	sing	0.00Å	1.39Å
C74	C75	sing	0.00Å	1.47Å
C74	C76	doub	0.00Å	1.37Å
C75	O16	doub	0.00Å	1.23Å
C76	S3	sing	0.00Å	1.74Å
N26	H111	sing	0.00Å	1.00Å
C76	H112	sing	0.00Å	1.08Å
C77	O17	sing	0.00Å	1.47Å
C77	H113	sing	0.00Å	1.10Å
C77	H114	sing	0.00Å	1.10Å
C77	H115	sing	0.00Å	1.10Å
C3	N1	sing	0.00Å	1.33Å
C1	C69	sing	0.00Å	1.43Å
C2	C72	sing	0.00Å	1.39Å
C5	N3	sing	0.00Å	1.33Å
C16	N4	sing	0.00Å	1.33Å
C20	N5	sing	0.00Å	1.34Å
C26	N9	sing	0.00Å	1.33Å
C32	N10	sing	0.00Å	1.34Å
C36	N14	sing	0.00Å	1.33Å
C42	N15	sing	0.00Å	1.32Å
C44	N19	sing	0.00Å	1.33Å
C50	N20	sing	0.00Å	1.33Å
C56	N21	sing	0.00Å	1.33Å
C59	S1	sing	0.00Å	1.72Å
C59	N22	sing	0.00Å	1.33Å
C63	N23	sing	0.00Å	1.36Å
C67	N24	sing	0.00Å	1.32Å
C67	S2	sing	0.00Å	1.76Å
C69	N25	sing	0.00Å	1.32Å
C73	N26	sing	0.00Å	1.30Å
C73	S3	sing	0.00Å	1.78Å
C75	O17	sing	0.00Å	1.36Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C3	117.5°	90.0°
C1	C2	H1	119.6°	90.0°
C2	C1	C69	118.0°	90.0°
C1	C2	C72	120.8°	90.0°
C1	C3	O1	123.1°	90.0°
C1	C3	N1	113.0°	90.0°
C3	C1	C69	124.4°	90.0°
H1	C2	C72	119.6°	90.0°
O1	C3	N1	123.6°	90.0°
C4	N1	H2	119.0°	90.0°
N1	C4	C5	115.9°	90.0°
N1	C4	C6	108.0°	90.0°
N1	C4	H3	108.7°	90.0°
C4	N1	C3	122.1°	90.0°
H2	N1	C3	118.9°	90.0°
C5	C4	C6	108.9°	90.0°
C5	C4	H3	107.6°	90.0°
C4	C5	O2	121.6°	90.0°
C4	C5	N3	114.7°	90.0°
C6	C4	H3	107.4°	90.0°
C4	C6	C7	115.1°	90.0°
C4	C6	H4	108.0°	90.0°
C4	C6	H5	108.0°	90.0°
O2	C5	N3	123.7°	90.0°
C7	C6	H4	108.0°	90.0°
C7	C6	H5	108.1°	90.0°
C6	C7	C8	126.8°	90.0°
C6	C7	C9	127.3°	90.0°
H4	C6	H5	109.5°	90.0°
C8	C7	C9	105.9°	90.0°
C7	C8	N2	109.9°	90.0°
C7	C8	H6	125.0°	90.0°
C7	C9	C10	107.3°	90.0°
C7	C9	C11	134.2°	90.0°
N2	C8	H6	125.1°	90.0°
C8	N2	C10	109.3°	90.0°
C8	N2	H7	125.4°	90.0°
C10	C9	C11	118.5°	90.0°
C9	C10	N2	107.5°	90.0°
C9	C10	C12	122.3°	90.0°
C9	C11	C13	118.9°	90.0°
C9	C11	H8	120.5°	90.0°
C10	N2	H7	125.3°	90.0°
N2	C10	C12	130.2°	90.0°
C10	C12	C14	117.7°	90.0°
C10	C12	H9	121.1°	90.0°
C13	C11	H8	120.5°	90.0°
C11	C13	C14	121.1°	90.0°
C11	C13	H10	119.5°	90.0°
C14	C12	H9	121.1°	90.0°
C12	C14	C13	121.4°	90.0°
C12	C14	H11	119.3°	90.0°
C14	C13	H10	119.5°	90.0°
C13	C14	H11	119.3°	90.0°
C15	N3	H12	118.4°	90.0°
N3	C15	C16	108.6°	90.0°
N3	C15	C17	111.3°	90.0°
N3	C15	H13	109.2°	90.0°
C15	N3	C5	123.3°	90.0°
H12	N3	C5	118.3°	90.0°
C16	C15	C17	111.6°	90.0°
C16	C15	H13	108.3°	90.0°
C15	C16	O3	121.1°	90.0°
C15	C16	N4	116.2°	90.0°
C17	C15	H13	107.7°	90.0°
C15	C17	O4	109.9°	90.0°
C15	C17	C18	111.9°	90.0°
C15	C17	H14	107.6°	90.0°
O3	C16	N4	122.6°	90.0°
O4	C17	C18	109.7°	90.0°
O4	C17	H14	109.4°	90.0°
C17	O4	H15	109.5°	90.0°
C18	C17	H14	108.2°	90.0°
C17	C18	H16	109.5°	90.0°
C17	C18	H17	109.5°	90.0°
C17	C18	H18	109.5°	90.0°
H16	C18	H17	109.5°	90.0°
H16	C18	H18	109.4°	90.0°
H17	C18	H18	109.5°	90.0°
C19	N4	H19	119.1°	90.0°
N4	C19	C20	108.3°	90.0°
N4	C19	C21	111.4°	90.0°
N4	C19	H20	109.0°	90.0°
C19	N4	C16	121.7°	90.0°
H19	N4	C16	119.2°	90.0°
C20	C19	C21	111.8°	90.0°
C20	C19	H20	108.2°	90.0°
C19	C20	O5	120.6°	90.0°
C19	C20	N5	115.8°	90.0°
C21	C19	H20	108.0°	90.0°
C19	C21	C22	109.6°	90.0°
C19	C21	C23	110.5°	90.0°
C19	C21	H21	108.4°	90.0°
O5	C20	N5	123.6°	90.0°
C22	C21	C23	111.5°	90.0°
C22	C21	H21	108.4°	90.0°
C21	C22	C24	113.5°	90.0°
C21	C22	H22	108.5°	90.0°
C21	C22	H23	108.5°	90.0°
C23	C21	H21	108.4°	90.0°
C21	C23	H24	109.5°	90.0°
C21	C23	H25	109.5°	90.0°
C21	C23	H26	109.4°	90.0°
C24	C22	H22	108.4°	90.0°
C24	C22	H23	108.5°	90.0°
C22	C24	H27	109.5°	90.0°
C22	C24	H28	109.5°	90.0°
C22	C24	H29	109.5°	90.0°
H22	C22	H23	109.5°	90.0°
H24	C23	H25	109.5°	90.0°
H24	C23	H26	109.4°	90.0°
H25	C23	H26	109.5°	90.0°
H27	C24	H28	109.5°	90.0°
H27	C24	H29	109.4°	90.0°
H28	C24	H29	109.5°	90.0°
C25	N5	H30	117.3°	90.0°
N5	C25	C26	109.1°	90.0°
N5	C25	C27	110.2°	90.0°
N5	C25	H31	109.6°	90.0°
C25	N5	C20	125.3°	90.0°
H30	N5	C20	117.3°	90.0°
C26	C25	C27	110.6°	90.0°
C26	C25	H31	108.6°	90.0°
C25	C26	O6	121.1°	90.0°
C25	C26	N9	116.5°	90.0°
C27	C25	H31	108.7°	90.0°
C25	C27	C28	114.8°	90.0°
C25	C27	H32	108.1°	90.0°
C25	C27	H33	108.1°	90.0°
O6	C26	N9	122.4°	90.0°
C28	C27	H32	108.1°	90.0°
C28	C27	H33	108.1°	90.0°
C27	C28	C29	109.5°	90.0°
C27	C28	H34	109.4°	90.0°
C27	C28	H35	109.5°	90.0°
H32	C27	H33	109.5°	90.0°
C29	C28	H34	109.5°	90.0°
C29	C28	H35	109.4°	90.0°
C28	C29	N6	110.5°	90.0°
C28	C29	H36	109.2°	90.0°
C28	C29	H37	109.2°	90.0°
H34	C28	H35	109.5°	90.0°
N6	C29	H36	109.2°	90.0°
N6	C29	H37	109.2°	90.0°
C29	N6	C30	125.0°	90.0°
C29	N6	H38	117.5°	90.0°
H36	C29	H37	109.5°	90.0°
C30	N6	H38	117.5°	90.0°
N6	C30	N7	121.5°	90.0°
N6	C30	N8	119.2°	90.0°
N7	C30	N8	119.4°	90.0°
C30	N7	H39	120.0°	90.0°
C30	N7	H40	120.0°	90.0°
C30	N8	H41	120.0°	90.0°
C30	N8	H42	120.0°	90.0°
H39	N7	H40	120.0°	90.0°
H41	N8	H42	120.0°	90.0°
C31	N9	H43	119.1°	90.0°
N9	C31	C32	112.3°	90.0°
N9	C31	C33	111.0°	90.0°
N9	C31	H44	109.2°	90.0°
C31	N9	C26	121.9°	90.0°
H43	N9	C26	119.0°	90.0°
C32	C31	C33	107.5°	90.0°
C32	C31	H44	108.3°	90.0°
C31	C32	O7	122.2°	90.0°
C31	C32	N10	114.8°	90.0°
C33	C31	H44	108.4°	90.0°
C31	C33	O8	108.3°	90.0°
C31	C33	C34	111.5°	90.0°
C31	C33	H45	108.7°	90.0°
O7	C32	N10	122.9°	90.0°
O8	C33	C34	109.9°	90.0°
O8	C33	H45	109.9°	90.0°
C33	O8	H46	109.5°	90.0°
C34	C33	H45	108.5°	90.0°
C33	C34	H47	109.5°	90.0°
C33	C34	H48	109.5°	90.0°
C33	C34	H49	109.4°	90.0°
H47	C34	H48	109.4°	90.0°
H47	C34	H49	109.5°	90.0°
H48	C34	H49	109.5°	90.0°
C35	N10	H50	118.0°	90.0°
N10	C35	C36	113.3°	90.0°
N10	C35	C37	112.0°	90.0°
N10	C35	H51	107.5°	90.0°
C35	N10	C32	124.1°	90.0°
H50	N10	C32	118.0°	90.0°
C36	C35	C37	110.3°	90.0°
C36	C35	H51	106.7°	90.0°
C35	C36	O9	120.5°	90.0°
C35	C36	N14	117.7°	90.0°
C37	C35	H51	106.6°	90.0°
C35	C37	C38	115.0°	90.0°
C35	C37	H52	108.1°	90.0°
C35	C37	H53	108.1°	90.0°
O9	C36	N14	121.8°	90.0°
C38	C37	H52	108.1°	90.0°
C38	C37	H53	108.1°	90.0°
C37	C38	C39	113.0°	90.0°
C37	C38	H54	108.6°	90.0°
C37	C38	H55	108.6°	90.0°
H52	C37	H53	109.4°	90.0°
C39	C38	H54	108.6°	90.0°
C39	C38	H55	108.6°	90.0°
C38	C39	N11	113.2°	90.0°
C38	C39	H56	108.5°	90.0°
C38	C39	H57	108.5°	90.0°
H54	C38	H55	109.5°	90.0°
N11	C39	H56	108.5°	90.0°
N11	C39	H57	108.5°	90.0°
C39	N11	C40	124.5°	90.0°
C39	N11	H58	117.7°	90.0°
H56	C39	H57	109.5°	90.0°
C40	N11	H58	117.8°	90.0°
N11	C40	N12	121.6°	90.0°
N11	C40	N13	119.1°	90.0°
N12	C40	N13	119.3°	90.0°
C40	N12	H59	120.0°	90.0°
C40	N12	H60	120.0°	90.0°
C40	N13	H61	120.0°	90.0°
C40	N13	H62	120.0°	90.0°
H59	N12	H60	120.0°	90.0°
H61	N13	H62	120.0°	90.0°
C41	N14	H63	119.9°	90.0°
N14	C41	C42	114.2°	90.0°
N14	C41	H64	108.3°	90.0°
N14	C41	H65	108.3°	90.0°
C41	N14	C36	120.3°	90.0°
H63	N14	C36	119.9°	90.0°
C42	C41	H64	108.3°	90.0°
C42	C41	H65	108.3°	90.0°
C41	C42	O10	119.8°	90.0°
C41	C42	N15	117.6°	90.0°
H64	C41	H65	109.5°	90.0°
O10	C42	N15	122.6°	90.0°
C43	N15	H66	118.3°	90.0°
N15	C43	C44	110.1°	90.0°
N15	C43	C45	110.7°	90.0°
N15	C43	H67	109.3°	90.0°
C43	N15	C42	123.3°	90.0°
H66	N15	C42	118.4°	90.0°
C44	C43	C45	110.1°	90.0°
C44	C43	H67	108.4°	90.0°
C43	C44	O11	121.3°	90.0°
C43	C44	N19	115.9°	90.0°
C45	C43	H67	108.2°	90.0°
C43	C45	C46	114.3°	90.0°
C43	C45	H68	108.2°	90.0°
C43	C45	H69	108.3°	90.0°
O11	C44	N19	122.7°	90.0°
C46	C45	H68	108.2°	90.0°
C46	C45	H69	108.3°	90.0°
C45	C46	C47	111.2°	90.0°
C45	C46	H70	109.1°	90.0°
C45	C46	H71	109.0°	90.0°
H68	C45	H69	109.5°	90.0°
C47	C46	H70	109.0°	90.0°
C47	C46	H71	109.0°	90.0°
C46	C47	N16	111.0°	90.0°
C46	C47	H72	109.1°	90.0°
C46	C47	H73	109.1°	90.0°
H70	C46	H71	109.5°	90.0°
N16	C47	H72	109.1°	90.0°
N16	C47	H73	109.1°	90.0°
C47	N16	C48	124.9°	90.0°
C47	N16	H74	117.5°	90.0°
H72	C47	H73	109.5°	90.0°
C48	N16	H74	117.5°	90.0°
N16	C48	N17	121.5°	90.0°
N16	C48	N18	119.0°	90.0°
N17	C48	N18	119.5°	90.0°
C48	N17	H75	120.0°	90.0°
C48	N17	H76	120.0°	90.0°
C48	N18	H77	120.0°	90.0°
C48	N18	H78	120.0°	90.0°
H75	N17	H76	120.0°	90.0°
H77	N18	H78	120.0°	90.0°
C49	N19	H79	119.0°	90.0°
N19	C49	C50	107.9°	90.0°
N19	C49	C51	113.0°	90.0°
N19	C49	H80	109.0°	90.0°
C49	N19	C44	122.0°	90.0°
H79	N19	C44	119.0°	90.0°
C50	C49	C51	110.7°	90.0°
C50	C49	H80	108.2°	90.0°
C49	C50	O12	121.6°	90.0°
C49	C50	N20	115.6°	90.0°
C51	C49	H80	107.9°	90.0°
C49	C51	C52	111.0°	90.0°
C49	C51	C53	110.4°	90.0°
C49	C51	H81	107.3°	90.0°
O12	C50	N20	122.8°	90.0°
C52	C51	C53	112.9°	90.0°
C52	C51	H81	107.4°	90.0°
C51	C52	C54	113.8°	90.0°
C51	C52	H82	108.4°	90.0°
C51	C52	H83	108.4°	90.0°
C53	C51	H81	107.5°	90.0°
C51	C53	H84	109.5°	90.0°
C51	C53	H85	109.5°	90.0°
C51	C53	H86	109.5°	90.0°
C54	C52	H82	108.4°	90.0°
C54	C52	H83	108.4°	90.0°
C52	C54	H87	109.5°	90.0°
C52	C54	H88	109.5°	90.0°
C52	C54	H89	109.5°	90.0°
H82	C52	H83	109.5°	90.0°
H84	C53	H85	109.5°	90.0°
H84	C53	H86	109.4°	90.0°
H85	C53	H86	109.4°	90.0°
H87	C54	H88	109.5°	90.0°
H87	C54	H89	109.5°	90.0°
H88	C54	H89	109.5°	90.0°
C55	N20	H90	120.0°	90.0°
N20	C55	C56	109.0°	90.0°
N20	C55	C57	110.5°	90.0°
N20	C55	H91	109.2°	90.0°
C55	N20	C50	120.1°	90.0°
H90	N20	C50	119.9°	90.0°
C56	C55	C57	111.8°	90.0°
C56	C55	H91	108.1°	90.0°
C55	C56	O13	119.8°	90.0°
C55	C56	N21	117.1°	90.0°
C57	C55	H91	108.1°	90.0°
C55	C57	H92	109.5°	90.0°
C55	C57	H93	109.5°	90.0°
C55	C57	H94	109.5°	90.0°
O13	C56	N21	123.1°	90.0°
H92	C57	H93	109.4°	90.0°
H92	C57	H94	109.5°	90.0°
H93	C57	H94	109.5°	90.0°
C58	N21	H95	119.0°	90.0°
N21	C58	C59	108.1°	90.0°
N21	C58	C60	111.7°	90.0°
N21	C58	H96	105.6°	90.0°
C58	N21	C56	121.9°	90.0°
H95	N21	C56	119.0°	90.0°
C59	C58	C60	120.1°	90.0°
C59	C58	H96	105.3°	90.0°
C58	C59	S1	119.5°	90.0°
C58	C59	N22	125.9°	90.0°
C60	C58	H96	104.9°	90.0°
C58	C60	O14	109.1°	90.0°
C58	C60	C61	110.6°	90.0°
C58	C60	H97	108.6°	90.0°
O14	C60	C61	109.7°	90.0°
O14	C60	H97	110.0°	90.0°
C60	O14	H98	109.5°	90.0°
C61	C60	H97	108.8°	90.0°
C60	C61	H99	109.5°	90.0°
C60	C61	H100	109.5°	90.0°
C60	C61	H101	109.4°	90.0°
H99	C61	H100	109.5°	90.0°
H99	C61	H101	109.5°	90.0°
H100	C61	H101	109.5°	90.0°
N22	C62	C63	122.3°	90.0°
N22	C62	C64	112.8°	90.0°
C62	N22	H102	109.3°	90.0°
C62	N22	C59	110.1°	90.0°
C63	C62	C64	124.8°	90.0°
C62	C63	O15	118.8°	90.0°
C62	C63	N23	120.2°	90.0°
C62	C64	S1	112.1°	90.0°
C62	C64	H103	123.9°	90.0°
O15	C63	N23	121.0°	90.0°
S1	C64	H103	124.0°	90.0°
C64	S1	C59	90.4°	90.0°
H102	N22	C59	109.3°	90.0°
C65	N23	H104	113.2°	90.0°
N23	C65	C66	124.4°	90.0°
N23	C65	C67	110.5°	90.0°
C65	N23	C63	133.6°	90.0°
H104	N23	C63	113.2°	90.0°
C66	C65	C67	125.0°	90.0°
C65	C66	H105	120.0°	90.0°
C65	C66	H106	120.0°	90.0°
C65	C67	N24	125.9°	90.0°
C65	C67	S2	122.1°	90.0°
H105	C66	H106	120.0°	90.0°
N24	C68	C69	127.2°	90.0°
N24	C68	C70	111.6°	90.0°
C68	N24	H107	108.3°	90.0°
C68	N24	C67	114.3°	90.0°
C69	C68	C70	121.2°	90.0°
C68	C69	C1	124.3°	90.0°
C68	C69	N25	116.4°	90.0°
C68	C70	S2	112.8°	90.0°
C68	C70	H108	123.6°	90.0°
S2	C70	H108	123.6°	90.0°
C70	S2	C67	89.3°	90.0°
H107	N24	C67	108.3°	90.0°
C71	N25	H109	105.8°	90.0°
N25	C71	C72	120.4°	90.0°
N25	C71	C73	117.9°	90.0°
C71	N25	C69	123.8°	90.0°
H109	N25	C69	105.8°	90.0°
C72	C71	C73	121.5°	90.0°
C71	C72	H110	121.2°	90.0°
C71	C72	C2	117.6°	90.0°
C71	C73	N26	129.5°	90.0°
C71	C73	S3	119.0°	90.0°
H110	C72	C2	121.2°	90.0°
N26	C74	C75	123.7°	90.0°
N26	C74	C76	113.5°	90.0°
C74	N26	H111	108.2°	90.0°
C74	N26	C73	114.8°	90.0°
C75	C74	C76	122.8°	90.0°
C74	C75	O16	118.3°	90.0°
C74	C75	O17	123.2°	90.0°
C74	C76	S3	110.6°	90.0°
C74	C76	H112	124.7°	90.0°
O16	C75	O17	118.5°	90.0°
S3	C76	H112	124.7°	90.0°
C76	S3	C73	89.8°	90.0°
H111	N26	C73	108.1°	90.0°
O17	C77	H113	109.5°	90.0°
O17	C77	H114	109.5°	90.0°
O17	C77	H115	109.5°	90.0°
C77	O17	C75	122.1°	90.0°
H113	C77	H114	109.4°	90.0°
H113	C77	H115	109.5°	90.0°
H114	C77	H115	109.5°	90.0°
C1	C69	N25	119.3°	90.0°
S1	C59	N22	114.6°	90.0°
N24	C67	S2	112.0°	90.0°
N26	C73	S3	111.2°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C3	C69	176.5°	90.0°
C1	C2	H1	C72	180.0°	90.0°
C2	C1	C3	O1	81.5°	90.0°
C2	C1	C69	C68	179.1°	90.0°
C1	C2	C72	C71	0.7°	90.0°
C1	C2	C72	H110	179.3°	90.0°
C2	C1	C3	N1	93.2°	90.0°
C2	C1	C69	N25	0.3°	90.0°
C3	C1	C2	H1	2.5°	90.0°
C1	C3	O1	N1	174.1°	90.0°
C1	C3	N1	C4	174.7°	90.0°
C1	C3	N1	H2	5.3°	90.0°
C3	C1	C69	C68	2.7°	90.0°
C3	C1	C2	C72	177.5°	90.0°
C3	C1	C69	N25	176.8°	90.0°
H1	C2	C72	C71	179.3°	90.0°
H1	C2	C72	H110	0.7°	90.0°
H1	C2	C1	C69	179.2°	90.0°
O1	C3	N1	C4	0.0°	90.0°
O1	C3	N1	H2	179.9°	90.0°
O1	C3	C1	C69	102.1°	90.0°
C4	N1	H2	C3	180.0°	90.0°
N1	C4	C5	C6	122.0°	90.0°
N1	C4	C5	H3	121.8°	90.0°
N1	C4	C6	H3	117.1°	90.0°
N1	C4	C5	O2	4.6°	90.0°
N1	C4	C6	C7	37.6°	90.0°
N1	C4	C6	H4	158.4°	90.0°
N1	C4	C6	H5	83.3°	90.0°
N1	C4	C5	N3	176.8°	90.0°
H2	N1	C4	C5	31.4°	90.0°
H2	N1	C4	C6	91.1°	90.0°
H2	N1	C4	H3	152.7°	90.0°
C5	C4	C6	H3	116.3°	90.0°
C4	C5	O2	N3	178.5°	90.0°
C5	C4	C6	C7	89.1°	90.0°
C5	C4	C6	H4	31.8°	90.0°
C5	C4	C6	H5	150.1°	90.0°
C4	C5	N3	C15	174.8°	90.0°
C4	C5	N3	H12	5.2°	90.0°
C5	C4	N1	C3	148.6°	90.0°
C6	C4	C5	O2	117.5°	90.0°
C4	C6	C7	H4	120.8°	90.0°
C4	C6	C7	H5	120.8°	90.0°
C4	C6	H4	H5	117.4°	90.0°
C4	C6	C7	C8	98.5°	90.0°
C4	C6	C7	C9	83.0°	90.0°
C6	C4	N1	C3	88.9°	90.0°
C6	C4	C5	N3	61.1°	90.0°
H3	C4	C5	O2	126.4°	90.0°
H3	C4	C6	C7	154.7°	90.0°
H3	C4	C6	H4	84.5°	90.0°
H3	C4	C6	H5	33.8°	90.0°
H3	C4	N1	C3	27.3°	90.0°
H3	C4	C5	N3	55.0°	90.0°
O2	C5	N3	C15	6.6°	90.0°
O2	C5	N3	H12	173.4°	90.0°
C7	C6	H4	H5	117.4°	90.0°
C6	C7	C8	C9	178.8°	90.0°
C6	C7	C8	N2	178.9°	90.0°
C6	C7	C8	H6	1.2°	90.0°
C6	C7	C9	C10	179.1°	90.0°
C6	C7	C9	C11	1.8°	90.0°
H4	C6	C7	C8	140.7°	90.0°
H4	C6	C7	C9	37.8°	90.0°
H5	C6	C7	C8	22.4°	90.0°
H5	C6	C7	C9	156.2°	90.0°
C7	C8	N2	H6	180.0°	90.0°
C8	C7	C9	C10	0.3°	90.0°
C8	C7	C9	C11	179.4°	90.0°
C7	C8	N2	C10	0.3°	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	179.2°	90.0°
C7	C9	C10	N2	0.5°	90.0°
C7	C9	C10	C12	179.4°	90.0°
C7	C9	C11	C13	179.2°	90.0°
C7	C9	C11	H8	0.8°	90.0°
C8	N2	C10	C9	0.5°	90.0°
C8	N2	C10	H7	180.0°	90.0°
C8	N2	C10	C12	179.4°	90.0°
H6	C8	N2	C10	179.7°	90.0°
H6	C8	N2	H7	0.3°	90.0°
C9	C10	N2	C12	179.8°	90.0°
C9	C10	N2	H7	179.6°	90.0°
C10	C9	C11	C13	0.2°	90.0°
C10	C9	C11	H8	179.8°	90.0°
C9	C10	C12	C14	0.2°	90.0°
C9	C10	C12	H9	179.8°	90.0°
C11	C9	C10	N2	179.7°	90.0°
C11	C9	C10	C12	0.2°	90.0°
C9	C11	C13	H8	180.0°	90.0°
C9	C11	C13	C14	0.3°	90.0°
C9	C11	C13	H10	179.7°	90.0°
N2	C10	C12	C14	179.7°	90.0°
N2	C10	C12	H9	0.3°	90.0°
H7	N2	C10	C12	0.6°	90.0°
C10	C12	C14	H9	180.0°	90.0°
C10	C12	C14	C13	0.2°	90.0°
C10	C12	C14	H11	179.8°	90.0°
C11	C13	C14	C12	0.3°	90.0°
C11	C13	C14	H10	180.0°	90.0°
C11	C13	C14	H11	179.7°	90.0°
H8	C11	C13	C14	179.8°	90.0°
H8	C11	C13	H10	0.3°	90.0°
C12	C14	C13	H11	180.0°	90.0°
C12	C14	C13	H10	179.7°	90.0°
H9	C12	C14	C13	179.8°	90.0°
H9	C12	C14	H11	0.2°	90.0°
H10	C13	C14	H11	0.3°	90.0°
C15	N3	H12	C5	180.0°	90.0°
N3	C15	C16	C17	123.0°	90.0°
N3	C15	C16	H13	118.6°	90.0°
N3	C15	C17	H13	119.7°	90.0°
N3	C15	C16	O3	26.1°	90.0°
N3	C15	C17	O4	171.4°	90.0°
N3	C15	C17	C18	66.5°	90.0°
N3	C15	C17	H14	52.3°	90.0°
N3	C15	C16	N4	151.1°	90.0°
H12	N3	C15	C16	53.0°	90.0°
H12	N3	C15	C17	70.3°	90.0°
H12	N3	C15	H13	171.0°	90.0°
C16	C15	C17	H13	118.8°	90.0°
C15	C16	O3	N4	177.0°	90.0°
C16	C15	C17	O4	67.1°	90.0°
C16	C15	C17	C18	55.1°	90.0°
C16	C15	C17	H14	173.8°	90.0°
C15	C16	N4	C19	177.5°	90.0°
C15	C16	N4	H19	2.5°	90.0°
C16	C15	N3	C5	127.0°	90.0°
C17	C15	C16	O3	97.0°	90.0°
C15	C17	O4	C18	123.4°	90.0°
C15	C17	O4	H14	118.0°	90.0°
C15	C17	C18	H14	118.4°	90.0°
C15	C17	O4	H15	180.0°	90.0°
C15	C17	C18	H16	180.0°	90.0°
C15	C17	C18	H17	60.0°	90.0°
C15	C17	C18	H18	60.0°	90.0°
C17	C15	N3	C5	109.8°	90.0°
C17	C15	C16	N4	85.8°	90.0°
H13	C15	C16	O3	144.6°	90.0°
H13	C15	C17	O4	51.7°	90.0°
H13	C15	C17	C18	173.8°	90.0°
H13	C15	C17	H14	67.4°	90.0°
H13	C15	N3	C5	9.0°	90.0°
H13	C15	C16	N4	32.6°	90.0°
O3	C16	N4	C19	0.3°	90.0°
O3	C16	N4	H19	179.7°	90.0°
O4	C17	C18	H14	119.3°	90.0°
O4	C17	C18	H16	57.7°	90.0°
O4	C17	C18	H17	177.7°	90.0°
O4	C17	C18	H18	62.3°	90.0°
C18	C17	O4	H15	56.6°	90.0°
C17	C18	H16	H17	120.0°	90.0°
C17	C18	H16	H18	120.0°	90.0°
C17	C18	H17	H18	120.0°	90.0°
H14	C17	O4	H15	62.0°	90.0°
H14	C17	C18	H16	61.6°	90.0°
H14	C17	C18	H17	58.4°	90.0°
H14	C17	C18	H18	178.4°	90.0°
H16	C18	H17	H18	120.0°	90.0°
C19	N4	H19	C16	180.0°	90.0°
N4	C19	C20	C21	123.2°	90.0°
N4	C19	C20	H20	118.0°	90.0°
N4	C19	C21	H20	119.7°	90.0°
N4	C19	C20	O5	52.1°	90.0°
N4	C19	C21	C22	62.0°	90.0°
N4	C19	C21	C23	174.7°	90.0°
N4	C19	C21	H21	56.1°	90.0°
N4	C19	C20	N5	125.5°	90.0°
H19	N4	C19	C20	84.0°	90.0°
H19	N4	C19	C21	39.4°	90.0°
H19	N4	C19	H20	158.6°	90.0°
C20	C19	C21	H20	118.9°	90.0°
C19	C20	O5	N5	177.4°	90.0°
C20	C19	C21	C22	176.6°	90.0°
C20	C19	C21	C23	53.4°	90.0°
C20	C19	C21	H21	65.3°	90.0°
C19	C20	N5	C25	176.3°	90.0°
C19	C20	N5	H30	3.7°	90.0°
C20	C19	N4	C16	96.0°	90.0°
C21	C19	C20	O5	71.1°	90.0°
C19	C21	C22	C23	122.6°	90.0°
C19	C21	C22	H21	118.1°	90.0°
C19	C21	C23	H21	118.6°	90.0°
C19	C21	C22	C24	154.3°	90.0°
C19	C21	C22	H22	85.1°	90.0°
C19	C21	C22	H23	33.8°	90.0°
C19	C21	C23	H24	180.0°	90.0°
C19	C21	C23	H25	60.0°	90.0°
C19	C21	C23	H26	60.0°	90.0°
C21	C19	N4	C16	140.6°	90.0°
C21	C19	C20	N5	111.3°	90.0°
H20	C19	C20	O5	170.1°	90.0°
H20	C19	C21	C22	57.7°	90.0°
H20	C19	C21	C23	65.5°	90.0°
H20	C19	C21	H21	175.9°	90.0°
H20	C19	N4	C16	21.4°	90.0°
H20	C19	C20	N5	7.5°	90.0°
O5	C20	N5	C25	6.1°	90.0°
O5	C20	N5	H30	173.9°	90.0°
C22	C21	C23	H21	119.3°	90.0°
C21	C22	C24	H22	120.6°	90.0°
C21	C22	C24	H23	120.6°	90.0°
C21	C22	H22	H23	118.2°	90.0°
C22	C21	C23	H24	57.8°	90.0°
C22	C21	C23	H25	177.9°	90.0°
C22	C21	C23	H26	62.1°	90.0°
C21	C22	C24	H27	180.0°	90.0°
C21	C22	C24	H28	60.0°	90.0°
C21	C22	C24	H29	60.0°	90.0°
C23	C21	C22	C24	83.0°	90.0°
C23	C21	C22	H22	37.5°	90.0°
C23	C21	C22	H23	156.4°	90.0°
C21	C23	H24	H25	120.0°	90.0°
C21	C23	H24	H26	120.0°	90.0°
C21	C23	H25	H26	120.0°	90.0°
H21	C21	C22	C24	36.3°	90.0°
H21	C21	C22	H22	156.8°	90.0°
H21	C21	C22	H23	84.3°	90.0°
H21	C21	C23	H24	61.4°	90.0°
H21	C21	C23	H25	58.6°	90.0°
H21	C21	C23	H26	178.6°	90.0°
C24	C22	H22	H23	118.2°	90.0°
C22	C24	H27	H28	120.0°	90.0°
C22	C24	H27	H29	120.0°	90.0°
C22	C24	H28	H29	120.0°	90.0°
H22	C22	C24	H27	59.4°	90.0°
H22	C22	C24	H28	179.4°	90.0°
H22	C22	C24	H29	60.6°	90.0°
H23	C22	C24	H27	59.4°	90.0°
H23	C22	C24	H28	60.6°	90.0°
H23	C22	C24	H29	179.4°	90.0°
H24	C23	H25	H26	120.0°	90.0°
H27	C24	H28	H29	120.0°	90.0°
C25	N5	H30	C20	180.0°	90.0°
N5	C25	C26	C27	121.4°	90.0°
N5	C25	C26	H31	119.4°	90.0°
N5	C25	C27	H31	120.1°	90.0°
N5	C25	C26	O6	0.4°	90.0°
N5	C25	C27	C28	43.9°	90.0°
N5	C25	C27	H32	76.8°	90.0°
N5	C25	C27	H33	164.7°	90.0°
N5	C25	C26	N9	178.2°	90.0°
H30	N5	C25	C26	75.1°	90.0°
H30	N5	C25	C27	46.5°	90.0°
H30	N5	C25	H31	166.1°	90.0°
C26	C25	C27	H31	119.2°	90.0°
C25	C26	O6	N9	178.5°	90.0°
C26	C25	C27	C28	164.6°	90.0°
C26	C25	C27	H32	43.8°	90.0°
C26	C25	C27	H33	74.6°	90.0°
C25	C26	N9	C31	173.6°	90.0°
C25	C26	N9	H43	6.4°	90.0°
C26	C25	N5	C20	104.9°	90.0°
C27	C25	C26	O6	121.8°	90.0°
C25	C27	C28	H32	120.8°	90.0°
C25	C27	C28	H33	120.8°	90.0°
C25	C27	H32	H33	117.5°	90.0°
C25	C27	C28	C29	175.0°	90.0°
C25	C27	C28	H34	55.0°	90.0°
C25	C27	C28	H35	65.0°	90.0°
C27	C25	N5	C20	133.5°	90.0°
C27	C25	C26	N9	56.8°	90.0°
H31	C25	C26	O6	119.0°	90.0°
H31	C25	C27	C28	76.2°	90.0°
H31	C25	C27	H32	163.0°	90.0°
H31	C25	C27	H33	44.6°	90.0°
H31	C25	N5	C20	13.9°	90.0°
H31	C25	C26	N9	62.4°	90.0°
O6	C26	N9	C31	5.0°	90.0°
O6	C26	N9	H43	175.0°	90.0°
C28	C27	H32	H33	117.6°	90.0°
C27	C28	C29	H34	120.0°	90.0°
C27	C28	C29	H35	120.0°	90.0°
C27	C28	H34	H35	120.0°	90.0°
C27	C28	C29	N6	71.0°	90.0°
C27	C28	C29	H36	168.9°	90.0°
C27	C28	C29	H37	49.2°	90.0°
H32	C27	C28	C29	64.2°	90.0°
H32	C27	C28	H34	175.8°	90.0°
H32	C27	C28	H35	55.8°	90.0°
H33	C27	C28	C29	54.2°	90.0°
H33	C27	C28	H34	65.8°	90.0°
H33	C27	C28	H35	174.2°	90.0°
C29	C28	H34	H35	120.0°	90.0°
C28	C29	N6	H36	120.2°	90.0°
C28	C29	N6	H37	120.2°	90.0°
C28	C29	H36	H37	119.5°	90.0°
C28	C29	N6	C30	175.1°	90.0°
C28	C29	N6	H38	4.9°	90.0°
H34	C28	C29	N6	49.0°	90.0°
H34	C28	C29	H36	71.1°	90.0°
H34	C28	C29	H37	169.2°	90.0°
H35	C28	C29	N6	169.1°	90.0°
H35	C28	C29	H36	48.9°	90.0°
H35	C28	C29	H37	70.8°	90.0°
N6	C29	H36	H37	119.5°	90.0°
C29	N6	C30	H38	180.0°	90.0°
C29	N6	C30	N7	1.1°	90.0°
C29	N6	C30	N8	178.4°	90.0°
H36	C29	N6	C30	64.8°	90.0°
H36	C29	N6	H38	115.2°	90.0°
H37	C29	N6	C30	54.9°	90.0°
H37	C29	N6	H38	125.1°	90.0°
N6	C30	N7	N8	179.5°	90.0°
N6	C30	N7	H39	179.6°	90.0°
N6	C30	N7	H40	0.5°	90.0°
N6	C30	N8	H41	179.5°	90.0°
N6	C30	N8	H42	0.4°	90.0°
H38	N6	C30	N7	178.9°	90.0°
H38	N6	C30	N8	1.6°	90.0°
C30	N7	H39	H40	180.0°	90.0°
N7	C30	N8	H41	0.0°	90.0°
N7	C30	N8	H42	180.0°	90.0°
N8	C30	N7	H39	0.0°	90.0°
N8	C30	N7	H40	180.0°	90.0°
C30	N8	H41	H42	180.0°	90.0°
C31	N9	H43	C26	180.0°	90.0°
N9	C31	C32	C33	122.4°	90.0°
N9	C31	C32	H44	120.7°	90.0°
N9	C31	C33	H44	119.9°	90.0°
N9	C31	C32	O7	26.7°	90.0°
N9	C31	C33	O8	54.2°	90.0°
N9	C31	C33	C34	66.8°	90.0°
N9	C31	C33	H45	173.6°	90.0°
N9	C31	C32	N10	154.6°	90.0°
H43	N9	C31	C32	112.7°	90.0°
H43	N9	C31	C33	7.7°	90.0°
H43	N9	C31	H44	127.1°	90.0°
C32	C31	C33	H44	116.9°	90.0°
C31	C32	O7	N10	178.6°	90.0°
C32	C31	C33	O8	68.9°	90.0°
C32	C31	C33	C34	170.0°	90.0°
C32	C31	C33	H45	50.4°	90.0°
C31	C32	N10	C35	164.4°	90.0°
C31	C32	N10	H50	15.5°	90.0°
C32	C31	N9	C26	67.3°	90.0°
C33	C31	C32	O7	95.7°	90.0°
C31	C33	O8	C34	122.0°	90.0°
C31	C33	O8	H45	118.6°	90.0°
C31	C33	C34	H45	119.7°	90.0°
C31	C33	O8	H46	180.0°	90.0°
C31	C33	C34	H47	180.0°	90.0°
C31	C33	C34	H48	60.0°	90.0°
C31	C33	C34	H49	60.0°	90.0°
C33	C31	N9	C26	172.3°	90.0°
C33	C31	C32	N10	83.0°	90.0°
H44	C31	C32	O7	147.4°	90.0°
H44	C31	C33	O8	174.1°	90.0°
H44	C31	C33	C34	53.1°	90.0°
H44	C31	C33	H45	66.5°	90.0°
H44	C31	N9	C26	52.9°	90.0°
H44	C31	C32	N10	34.0°	90.0°
O7	C32	N10	C35	14.2°	90.0°
O7	C32	N10	H50	165.8°	90.0°
O8	C33	C34	H45	120.3°	90.0°
O8	C33	C34	H47	59.9°	90.0°
O8	C33	C34	H48	179.9°	90.0°
O8	C33	C34	H49	60.1°	90.0°
C34	C33	O8	H46	58.0°	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°
H45	C33	O8	H46	61.4°	90.0°
H45	C33	C34	H47	60.3°	90.0°
H45	C33	C34	H48	59.7°	90.0°
H45	C33	C34	H49	179.7°	90.0°
H47	C34	H48	H49	120.0°	90.0°
C35	N10	H50	C32	180.0°	90.0°
N10	C35	C36	C37	126.4°	90.0°
N10	C35	C36	H51	118.1°	90.0°
N10	C35	C37	H51	117.3°	90.0°
N10	C35	C36	O9	152.9°	90.0°
N10	C35	C37	C38	38.4°	90.0°
N10	C35	C37	H52	82.4°	90.0°
N10	C35	C37	H53	159.3°	90.0°
N10	C35	C36	N14	29.3°	90.0°
H50	N10	C35	C36	109.5°	90.0°
H50	N10	C35	C37	124.9°	90.0°
H50	N10	C35	H51	8.2°	90.0°
C36	C35	C37	H51	115.5°	90.0°
C35	C36	O9	N14	177.8°	90.0°
C36	C35	C37	C38	165.6°	90.0°
C36	C35	C37	H52	44.8°	90.0°
C36	C35	C37	H53	73.6°	90.0°
C35	C36	N14	C41	175.5°	90.0°
C35	C36	N14	H63	4.5°	90.0°
C36	C35	N10	C32	70.5°	90.0°
C37	C35	C36	O9	26.4°	90.0°
C35	C37	C38	H52	120.8°	90.0°
C35	C37	C38	H53	120.8°	90.0°
C35	C37	H52	H53	117.4°	90.0°
C35	C37	C38	C39	165.7°	90.0°
C35	C37	C38	H54	45.2°	90.0°
C35	C37	C38	H55	73.8°	90.0°
C37	C35	N10	C32	55.1°	90.0°
C37	C35	C36	N14	155.7°	90.0°
H51	C35	C36	O9	89.0°	90.0°
H51	C35	C37	C38	78.9°	90.0°
H51	C35	C37	H52	160.3°	90.0°
H51	C35	C37	H53	42.0°	90.0°
H51	C35	N10	C32	171.8°	90.0°
H51	C35	C36	N14	88.9°	90.0°
O9	C36	N14	C41	2.3°	90.0°
O9	C36	N14	H63	177.7°	90.0°
C38	C37	H52	H53	117.5°	90.0°
C37	C38	C39	H54	120.5°	90.0°
C37	C38	C39	H55	120.5°	90.0°
C37	C38	H54	H55	118.4°	90.0°
C37	C38	C39	N11	60.8°	90.0°
C37	C38	C39	H56	59.7°	90.0°
C37	C38	C39	H57	178.6°	90.0°
H52	C37	C38	C39	73.5°	90.0°
H52	C37	C38	H54	166.0°	90.0°
H52	C37	C38	H55	47.1°	90.0°
H53	C37	C38	C39	44.9°	90.0°
H53	C37	C38	H54	75.6°	90.0°
H53	C37	C38	H55	165.4°	90.0°
C39	C38	H54	H55	118.4°	90.0°
C38	C39	N11	H56	120.5°	90.0°
C38	C39	N11	H57	120.6°	90.0°
C38	C39	H56	H57	118.3°	90.0°
C38	C39	N11	C40	97.5°	90.0°
C38	C39	N11	H58	82.5°	90.0°
H54	C38	C39	N11	178.7°	90.0°
H54	C38	C39	H56	60.8°	90.0°
H54	C38	C39	H57	58.1°	90.0°
H55	C38	C39	N11	59.7°	90.0°
H55	C38	C39	H56	179.7°	90.0°
H55	C38	C39	H57	60.9°	90.0°
N11	C39	H56	H57	118.3°	90.0°
C39	N11	C40	H58	180.0°	90.0°
C39	N11	C40	N12	4.6°	90.0°
C39	N11	C40	N13	175.7°	90.0°
H56	C39	N11	C40	141.9°	90.0°
H56	C39	N11	H58	38.0°	90.0°
H57	C39	N11	C40	23.1°	90.0°
H57	C39	N11	H58	156.9°	90.0°
N11	C40	N12	N13	179.7°	90.0°
N11	C40	N12	H59	179.7°	90.0°
N11	C40	N12	H60	0.2°	90.0°
N11	C40	N13	H61	179.7°	90.0°
N11	C40	N13	H62	0.3°	90.0°
H58	N11	C40	N12	175.4°	90.0°
H58	N11	C40	N13	4.3°	90.0°
C40	N12	H59	H60	180.0°	90.0°
N12	C40	N13	H61	0.0°	90.0°
N12	C40	N13	H62	180.0°	90.0°
N13	C40	N12	H59	0.0°	90.0°
N13	C40	N12	H60	180.0°	90.0°
C40	N13	H61	H62	180.0°	90.0°
C41	N14	H63	C36	180.0°	90.0°
N14	C41	C42	H64	120.7°	90.0°
N14	C41	C42	H65	120.7°	90.0°
N14	C41	H64	H65	117.9°	90.0°
N14	C41	C42	O10	156.5°	90.0°
N14	C41	C42	N15	23.0°	90.0°
H63	N14	C41	C42	102.7°	90.0°
H63	N14	C41	H64	18.0°	90.0°
H63	N14	C41	H65	136.7°	90.0°
C42	C41	H64	H65	117.8°	90.0°
C41	C42	O10	N15	179.5°	90.0°
C41	C42	N15	C43	177.9°	90.0°
C41	C42	N15	H66	2.1°	90.0°
C42	C41	N14	C36	77.3°	90.0°
H64	C41	C42	O10	82.8°	90.0°
H64	C41	N14	C36	162.0°	90.0°
H64	C41	C42	N15	97.6°	90.0°
H65	C41	C42	O10	35.8°	90.0°
H65	C41	N14	C36	43.4°	90.0°
H65	C41	C42	N15	143.7°	90.0°
O10	C42	N15	C43	2.6°	90.0°
O10	C42	N15	H66	177.4°	90.0°
C43	N15	H66	C42	180.0°	90.0°
N15	C43	C44	C45	122.3°	90.0°
N15	C43	C44	H67	119.5°	90.0°
N15	C43	C45	H67	119.8°	90.0°
N15	C43	C44	O11	27.0°	90.0°
N15	C43	C45	C46	49.5°	90.0°
N15	C43	C45	H68	71.2°	90.0°
N15	C43	C45	H69	170.2°	90.0°
N15	C43	C44	N19	152.5°	90.0°
H66	N15	C43	C44	75.0°	90.0°
H66	N15	C43	C45	46.9°	90.0°
H66	N15	C43	H67	166.1°	90.0°
C44	C43	C45	H67	118.3°	90.0°
C43	C44	O11	N19	179.5°	90.0°
C44	C43	C45	C46	171.4°	90.0°
C44	C43	C45	H68	50.7°	90.0°
C44	C43	C45	H69	67.8°	90.0°
C43	C44	N19	C49	168.7°	90.0°
C43	C44	N19	H79	11.4°	90.0°
C44	C43	N15	C42	105.0°	90.0°
C45	C43	C44	O11	95.3°	90.0°
C43	C45	C46	H68	120.7°	90.0°
C43	C45	C46	H69	120.7°	90.0°
C43	C45	H68	H69	117.8°	90.0°
C43	C45	C46	C47	175.4°	90.0°
C43	C45	C46	H70	64.3°	90.0°
C43	C45	C46	H71	55.2°	90.0°
C45	C43	N15	C42	133.1°	90.0°
C45	C43	C44	N19	85.2°	90.0°
H67	C43	C44	O11	146.5°	90.0°
H67	C43	C45	C46	70.3°	90.0°
H67	C43	C45	H68	169.0°	90.0°
H67	C43	C45	H69	50.4°	90.0°
H67	C43	N15	C42	13.9°	90.0°
H67	C43	C44	N19	33.0°	90.0°
O11	C44	N19	C49	11.8°	90.0°
O11	C44	N19	H79	168.2°	90.0°
C46	C45	H68	H69	117.8°	90.0°
C45	C46	C47	H70	120.3°	90.0°
C45	C46	C47	H71	120.2°	90.0°
C45	C46	H70	H71	119.2°	90.0°
C45	C46	C47	N16	69.9°	90.0°
C45	C46	C47	H72	50.3°	90.0°
C45	C46	C47	H73	169.8°	90.0°
H68	C45	C46	C47	54.7°	90.0°
H68	C45	C46	H70	175.0°	90.0°
H68	C45	C46	H71	65.5°	90.0°
H69	C45	C46	C47	63.9°	90.0°
H69	C45	C46	H70	56.4°	90.0°
H69	C45	C46	H71	175.9°	90.0°
C47	C46	H70	H71	119.2°	90.0°
C46	C47	N16	H72	120.2°	90.0°
C46	C47	N16	H73	120.2°	90.0°
C46	C47	H72	H73	119.3°	90.0°
C46	C47	N16	C48	157.6°	90.0°
C46	C47	N16	H74	22.4°	90.0°
H70	C46	C47	N16	169.8°	90.0°
H70	C46	C47	H72	70.0°	90.0°
H70	C46	C47	H73	49.6°	90.0°
H71	C46	C47	N16	50.3°	90.0°
H71	C46	C47	H72	170.5°	90.0°
H71	C46	C47	H73	69.9°	90.0°
N16	C47	H72	H73	119.3°	90.0°
C47	N16	C48	H74	180.0°	90.0°
C47	N16	C48	N17	1.5°	90.0°
C47	N16	C48	N18	177.8°	90.0°
H72	C47	N16	C48	37.4°	90.0°
H72	C47	N16	H74	142.6°	90.0°
H73	C47	N16	C48	82.2°	90.0°
H73	C47	N16	H74	97.8°	90.0°
N16	C48	N17	N18	179.3°	90.0°
N16	C48	N17	H75	179.3°	90.0°
N16	C48	N17	H76	0.7°	90.0°
N16	C48	N18	H77	179.3°	90.0°
N16	C48	N18	H78	0.7°	90.0°
H74	N16	C48	N17	178.5°	90.0°
H74	N16	C48	N18	2.2°	90.0°
C48	N17	H75	H76	180.0°	90.0°
N17	C48	N18	H77	0.0°	90.0°
N17	C48	N18	H78	180.0°	90.0°
N18	C48	N17	H75	0.0°	90.0°
N18	C48	N17	H76	180.0°	90.0°
C48	N18	H77	H78	180.0°	90.0°
C49	N19	H79	C44	180.0°	90.0°
N19	C49	C50	C51	124.1°	90.0°
N19	C49	C50	H80	117.9°	90.0°
N19	C49	C51	H80	120.6°	90.0°
N19	C49	C50	O12	12.7°	90.0°
N19	C49	C51	C52	69.1°	90.0°
N19	C49	C51	C53	56.9°	90.0°
N19	C49	C51	H81	173.8°	90.0°
N19	C49	C50	N20	165.9°	90.0°
H79	N19	C49	C50	50.0°	90.0°
H79	N19	C49	C51	72.8°	90.0°
H79	N19	C49	H80	167.3°	90.0°
C50	C49	C51	H80	118.2°	90.0°
C49	C50	O12	N20	178.5°	90.0°
C50	C49	C51	C52	52.1°	90.0°
C50	C49	C51	C53	178.1°	90.0°
C50	C49	C51	H81	65.0°	90.0°
C49	C50	N20	C55	174.1°	90.0°
C49	C50	N20	H90	5.9°	90.0°
C50	C49	N19	C44	130.1°	90.0°
C51	C49	C50	O12	111.4°	90.0°
C49	C51	C52	C53	124.6°	90.0°
C49	C51	C52	H81	117.1°	90.0°
C49	C51	C53	H81	116.8°	90.0°
C49	C51	C52	C54	178.5°	90.0°
C49	C51	C52	H82	60.8°	90.0°
C49	C51	C52	H83	57.9°	90.0°
C49	C51	C53	H84	180.0°	90.0°
C49	C51	C53	H85	60.0°	90.0°
C49	C51	C53	H86	60.0°	90.0°
C51	C49	N19	C44	107.2°	90.0°
C51	C49	C50	N20	69.9°	90.0°
H80	C49	C50	O12	130.5°	90.0°
H80	C49	C51	C52	170.3°	90.0°
H80	C49	C51	C53	63.7°	90.0°
H80	C49	C51	H81	53.2°	90.0°
H80	C49	N19	C44	12.8°	90.0°
H80	C49	C50	N20	48.1°	90.0°
O12	C50	N20	C55	7.3°	90.0°
O12	C50	N20	H90	172.7°	90.0°
C52	C51	C53	H81	118.3°	90.0°
C51	C52	C54	H82	120.6°	90.0°
C51	C52	C54	H83	120.7°	90.0°
C51	C52	H82	H83	118.0°	90.0°
C52	C51	C53	H84	55.1°	90.0°
C52	C51	C53	H85	175.1°	90.0°
C52	C51	C53	H86	64.9°	90.0°
C51	C52	C54	H87	180.0°	90.0°
C51	C52	C54	H88	60.0°	90.0°
C51	C52	C54	H89	60.0°	90.0°
C53	C51	C52	C54	56.8°	90.0°
C53	C51	C52	H82	63.8°	90.0°
C53	C51	C52	H83	177.5°	90.0°
C51	C53	H84	H85	120.0°	90.0°
C51	C53	H84	H86	120.0°	90.0°
C51	C53	H85	H86	120.0°	90.0°
H81	C51	C52	C54	61.5°	90.0°
H81	C51	C52	H82	177.9°	90.0°
H81	C51	C52	H83	59.2°	90.0°
H81	C51	C53	H84	63.2°	90.0°
H81	C51	C53	H85	56.8°	90.0°
H81	C51	C53	H86	176.8°	90.0°
C54	C52	H82	H83	118.0°	90.0°
C52	C54	H87	H88	120.0°	90.0°
C52	C54	H87	H89	120.0°	90.0°
C52	C54	H88	H89	120.0°	90.0°
H82	C52	C54	H87	59.4°	90.0°
H82	C52	C54	H88	179.4°	90.0°
H82	C52	C54	H89	60.6°	90.0°
H83	C52	C54	H87	59.4°	90.0°
H83	C52	C54	H88	60.7°	90.0°
H83	C52	C54	H89	179.3°	90.0°
H84	C53	H85	H86	119.9°	90.0°
H87	C54	H88	H89	120.0°	90.0°
C55	N20	H90	C50	180.0°	90.0°
N20	C55	C56	C57	122.5°	90.0°
N20	C55	C56	H91	118.6°	90.0°
N20	C55	C57	H91	119.5°	90.0°
N20	C55	C56	O13	18.6°	90.0°
N20	C55	C57	H92	180.0°	90.0°
N20	C55	C57	H93	60.0°	90.0°
N20	C55	C57	H94	60.0°	90.0°
N20	C55	C56	N21	160.1°	90.0°
H90	N20	C55	C56	29.6°	90.0°
H90	N20	C55	C57	93.7°	90.0°
H90	N20	C55	H91	147.5°	90.0°
C56	C55	C57	H91	118.9°	90.0°
C55	C56	O13	N21	178.6°	90.0°
C56	C55	C57	H92	58.4°	90.0°
C56	C55	C57	H93	178.4°	90.0°
C56	C55	C57	H94	61.6°	90.0°
C55	C56	N21	C58	178.0°	90.0°
C55	C56	N21	H95	2.0°	90.0°
C56	C55	N20	C50	150.4°	90.0°
C57	C55	C56	O13	104.0°	90.0°
C55	C57	H92	H93	120.0°	90.0°
C55	C57	H92	H94	120.0°	90.0°
C55	C57	H93	H94	120.0°	90.0°
C57	C55	N20	C50	86.4°	90.0°
C57	C55	C56	N21	77.4°	90.0°
H91	C55	C56	O13	137.1°	90.0°
H91	C55	C57	H92	60.5°	90.0°
H91	C55	C57	H93	59.4°	90.0°
H91	C55	C57	H94	179.4°	90.0°
H91	C55	N20	C50	32.4°	90.0°
H91	C55	C56	N21	41.5°	90.0°
O13	C56	N21	C58	3.4°	90.0°
O13	C56	N21	H95	176.6°	90.0°
H92	C57	H93	H94	120.0°	90.0°
C58	N21	H95	C56	180.0°	90.0°
N21	C58	C59	C60	129.7°	90.0°
N21	C58	C59	H96	112.5°	90.0°
N21	C58	C60	H96	113.9°	90.0°
N21	C58	C60	O14	161.9°	90.0°
N21	C58	C60	C61	41.1°	90.0°
N21	C58	C60	H97	78.2°	90.0°
N21	C58	C59	S1	44.6°	90.0°
N21	C58	C59	N22	135.2°	90.0°
H95	N21	C58	C59	125.0°	90.0°
H95	N21	C58	C60	9.2°	90.0°
H95	N21	C58	H96	122.7°	90.0°
C59	C58	C60	H96	118.0°	90.0°
C59	C58	C60	O14	33.8°	90.0°
C59	C58	C60	C61	87.0°	90.0°
C59	C58	C60	H97	153.7°	90.0°
C58	C59	N22	C62	179.5°	90.0°
C58	C59	S1	C64	179.0°	90.0°
C58	C59	N22	H102	60.4°	90.0°
C59	C58	N21	C56	55.0°	90.0°
C58	C59	S1	N22	179.8°	90.0°
C58	C60	O14	C61	121.3°	90.0°
C58	C60	O14	H97	119.0°	90.0°
C58	C60	C61	H97	119.2°	90.0°
C58	C60	O14	H98	180.0°	90.0°
C58	C60	C61	H99	180.0°	90.0°
C58	C60	C61	H100	60.0°	90.0°
C58	C60	C61	H101	60.0°	90.0°
C60	C58	N21	C56	170.7°	90.0°
C60	C58	C59	S1	85.2°	90.0°
C60	C58	C59	N22	95.0°	90.0°
H96	C58	C60	O14	84.2°	90.0°
H96	C58	C60	C61	155.0°	90.0°
H96	C58	C60	H97	35.7°	90.0°
H96	C58	N21	C56	57.3°	90.0°
H96	C58	C59	S1	157.0°	90.0°
H96	C58	C59	N22	22.8°	90.0°
O14	C60	C61	H97	120.4°	90.0°
O14	C60	C61	H99	59.6°	90.0°
O14	C60	C61	H100	179.6°	90.0°
O14	C60	C61	H101	60.4°	90.0°
C61	C60	O14	H98	58.7°	90.0°
C60	C61	H99	H100	120.0°	90.0°
C60	C61	H99	H101	120.0°	90.0°
C60	C61	H100	H101	120.0°	90.0°
H97	C60	O14	H98	60.9°	90.0°
H97	C60	C61	H99	60.8°	90.0°
H97	C60	C61	H100	59.2°	90.0°
H97	C60	C61	H101	179.2°	90.0°
H99	C61	H100	H101	120.0°	90.0°
N22	C62	C63	C64	178.5°	90.0°
N22	C62	C63	O15	171.3°	90.0°
N22	C62	C64	S1	1.2°	90.0°
C62	N22	H102	C59	120.5°	90.0°
N22	C62	C64	H103	178.8°	90.0°
C62	N22	C59	S1	0.3°	90.0°
N22	C62	C63	N23	7.8°	90.0°
C62	C63	O15	N23	179.1°	90.0°
C63	C62	C64	S1	179.9°	90.0°
C63	C62	N22	H102	60.7°	90.0°
C63	C62	C64	H103	0.2°	90.0°
C62	C63	N23	C65	178.5°	90.0°
C62	C63	N23	H104	1.5°	90.0°
C63	C62	N22	C59	179.3°	90.0°
C64	C62	C63	O15	7.2°	90.0°
C62	C64	S1	H103	180.0°	90.0°
C64	C62	N22	H102	120.7°	90.0°
C62	C64	S1	C59	1.1°	90.0°
C64	C62	N22	C59	0.6°	90.0°
C64	C62	C63	N23	173.7°	90.0°
O15	C63	N23	C65	0.6°	90.0°
O15	C63	N23	H104	179.4°	90.0°
C64	S1	C59	N22	0.8°	90.0°
H102	N22	C59	S1	119.8°	90.0°
H103	C64	S1	C59	178.9°	90.0°
C65	N23	H104	C63	180.0°	90.0°
N23	C65	C66	C67	176.3°	90.0°
N23	C65	C66	H105	176.3°	90.0°
N23	C65	C66	H106	3.7°	90.0°
N23	C65	C67	N24	6.6°	90.0°
N23	C65	C67	S2	174.1°	90.0°
H104	N23	C65	C66	171.6°	90.0°
H104	N23	C65	C67	11.6°	90.0°
C65	C66	H105	H106	180.0°	90.0°
C66	C65	N23	C63	8.4°	90.0°
C66	C65	C67	N24	170.1°	90.0°
C66	C65	C67	S2	9.1°	90.0°
C67	C65	C66	H105	0.0°	90.0°
C67	C65	C66	H106	180.0°	90.0°
C65	C67	N24	C68	179.0°	90.0°
C65	C67	S2	C70	179.2°	90.0°
C65	C67	N24	H107	60.3°	90.0°
C67	C65	N23	C63	168.4°	90.0°
C65	C67	N24	S2	179.3°	90.0°
N24	C68	C69	C70	179.7°	90.0°
N24	C68	C70	S2	0.2°	90.0°
C68	N24	H107	C67	124.4°	90.0°
N24	C68	C70	H108	179.8°	90.0°
N24	C68	C69	C1	9.8°	90.0°
C68	N24	C67	S2	0.3°	90.0°
N24	C68	C69	N25	170.7°	90.0°
C69	C68	C70	S2	179.5°	90.0°
C69	C68	N24	H107	59.9°	90.0°
C69	C68	C70	H108	0.5°	90.0°
C68	C69	N25	C71	178.6°	90.0°
C68	C69	N25	H109	59.4°	90.0°
C68	C69	C1	N25	179.4°	90.0°
C69	C68	N24	C67	179.4°	90.0°
C68	C70	S2	H108	180.0°	90.0°
C70	C68	N24	H107	120.4°	90.0°
C70	C68	C69	C1	169.9°	90.0°
C70	C68	N24	C67	0.3°	90.0°
C68	C70	S2	C67	0.0°	90.0°
C70	C68	C69	N25	9.6°	90.0°
C70	S2	C67	N24	0.2°	90.0°
H107	N24	C67	S2	120.4°	90.0°
H108	C70	S2	C67	180.0°	90.0°
C71	N25	H109	C69	132.9°	90.0°
N25	C71	C72	C73	174.0°	90.0°
N25	C71	C72	H110	177.2°	90.0°
C71	N25	C69	C1	1.9°	90.0°
N25	C71	C72	C2	2.8°	90.0°
N25	C71	C73	N26	173.8°	90.0°
N25	C71	C73	S3	0.9°	90.0°
H109	N25	C71	C72	118.4°	90.0°
H109	N25	C71	C73	55.8°	90.0°
H109	N25	C69	C1	120.1°	90.0°
C71	C72	H110	C2	180.0°	90.0°
C72	C71	N25	C69	3.5°	90.0°
C72	C71	C73	N26	0.4°	90.0°
C72	C71	C73	S3	173.3°	90.0°
C73	C71	C72	H110	3.1°	90.0°
C71	C73	N26	C74	176.1°	90.0°
C71	C73	S3	C76	176.4°	90.0°
C71	C73	N26	H111	63.1°	90.0°
C73	C71	C72	C2	176.9°	90.0°
C73	C71	N25	C69	177.8°	90.0°
C71	C73	N26	S3	173.3°	90.0°
N26	C74	C75	C76	179.8°	90.0°
N26	C74	C75	O16	0.3°	90.0°
N26	C74	C76	S3	0.0°	90.0°
C74	N26	H111	C73	124.9°	90.0°
N26	C74	C76	H112	180.0°	90.0°
C74	N26	C73	S3	2.8°	90.0°
N26	C74	C75	O17	179.8°	90.0°
C74	C75	O16	O17	179.6°	90.0°
C75	C74	C76	S3	179.8°	90.0°
C75	C74	N26	H111	57.2°	90.0°
C75	C74	C76	H112	0.2°	90.0°
C74	C75	O17	C77	158.8°	90.0°
C75	C74	N26	C73	178.0°	90.0°
C76	C74	C75	O16	179.5°	90.0°
C74	C76	S3	H112	180.0°	90.0°
C76	C74	N26	H111	122.6°	90.0°
C76	C74	N26	C73	1.9°	90.0°
C74	C76	S3	C73	1.2°	90.0°
C76	C74	C75	O17	0.0°	90.0°
O16	C75	O17	C77	21.7°	90.0°
C76	S3	C73	N26	2.3°	90.0°
H111	N26	C73	S3	123.6°	90.0°
H112	C76	S3	C73	178.8°	90.0°
O17	C77	H113	H114	120.0°	90.0°
O17	C77	H113	H115	120.0°	90.0°
O17	C77	H114	H115	120.0°	90.0°
H113	C77	H114	H115	120.0°	90.0°
H113	C77	O17	C75	180.0°	90.0°
H114	C77	O17	C75	60.0°	90.0°
H115	C77	O17	C75	60.0°	90.0°
N1	C3	C1	C69	83.3°	90.0°
C69	C1	C2	C72	0.8°	90.0°

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