DKH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	S	sing	0.00Å	1.74Å
O2	S	doub	0.00Å	1.43Å
N5	S	sing	0.00Å	1.60Å
N5	C11	sing	0.00Å	1.42Å
S	O1	doub	0.00Å	1.44Å
C14	C10	sing	0.00Å	1.50Å
C11	C10	doub	0.00Å	1.38Å	Aromatic
C11	C12	sing	0.00Å	1.39Å	Aromatic
C10	C9	sing	0.00Å	1.39Å	Aromatic
C6	C5	sing	0.00Å	1.49Å
C12	C7	doub	0.00Å	1.39Å	Aromatic
C9	C8	doub	0.00Å	1.39Å	Aromatic
C7	C8	sing	0.00Å	1.38Å	Aromatic
C7	C3	sing	0.00Å	1.48Å
N1	C3	doub	0.00Å	1.32Å	Aromatic
N1	N2	sing	0.00Å	1.38Å	Aromatic
C5	N2	sing	0.00Å	1.37Å	Aromatic
C5	N4	doub	0.00Å	1.30Å	Aromatic
C3	C2	sing	0.00Å	1.42Å	Aromatic
N2	C4	sing	0.00Å	1.37Å	Aromatic
N4	N3	sing	0.00Å	1.41Å	Aromatic
C2	C1	doub	0.00Å	1.39Å	Aromatic
C4	N3	doub	0.00Å	1.32Å	Aromatic
C4	C1	sing	0.00Å	1.43Å	Aromatic
C1	N	sing	0.00Å	1.44Å
N	C	sing	0.00Å	1.37Å
O3	C17	doub	0.00Å	1.23Å
O	C	doub	0.00Å	1.21Å
C	C15	sing	0.00Å	1.53Å
N6	C17	sing	0.00Å	1.34Å
N6	C16	sing	0.00Å	1.47Å
C17	C18	sing	0.00Å	1.51Å
C15	C16	sing	0.00Å	1.55Å
C2	H1	sing	0.00Å	1.08Å
C6	H2	sing	0.00Å	1.10Å
C6	H3	sing	0.00Å	1.10Å
C6	H4	sing	0.00Å	1.10Å
C8	H5	sing	0.00Å	1.08Å
C16	H6	sing	0.00Å	1.10Å
C16	H7	sing	0.00Å	1.10Å
C15	H8	sing	0.00Å	1.10Å
C15	H9	sing	0.00Å	1.10Å
C14	H10	sing	0.00Å	1.10Å
C14	H11	sing	0.00Å	1.10Å
C14	H12	sing	0.00Å	1.10Å
C18	H13	sing	0.00Å	1.07Å
C13	H16	sing	0.00Å	1.10Å
C13	H17	sing	0.00Å	1.10Å
C13	H18	sing	0.00Å	1.10Å
C12	H19	sing	0.00Å	1.08Å
N6	H20	sing	0.00Å	1.00Å
N	H21	sing	0.00Å	1.00Å
N5	H22	sing	0.00Å	1.00Å
C9	H23	sing	0.00Å	1.08Å
C18	C19	sing	0.00Å	96.59Å
C18	N7	sing	0.00Å	96.59Å
C19	N8	sing	0.00Å	0.00Å
N7	C20	sing	0.00Å	0.00Å
C20	C21	sing	0.00Å	0.00Å
C20	O4	doub	0.00Å	0.00Å
C19	H14	sing	0.00Å	0.00Å
C19	H15	sing	0.00Å	0.00Å
N7	H24	sing	0.00Å	0.00Å
N8	H25	sing	0.00Å	0.00Å
N8	H26	sing	0.00Å	0.00Å
C21	H27	sing	0.00Å	0.00Å
C21	H28	sing	0.00Å	0.00Å
C21	C22	sing	0.00Å	0.00Å
C22	O5	sing	0.00Å	0.00Å
O5	C24	sing	0.00Å	0.00Å
C24	C25	sing	0.00Å	0.00Å
C25	O6	sing	0.00Å	0.00Å
O6	C23	sing	0.00Å	0.00Å
C23	C26	sing	0.00Å	0.00Å
C26	O7	sing	0.00Å	0.00Å
O7	C28	sing	0.00Å	0.00Å
C28	C29	sing	0.00Å	0.00Å
C29	O8	sing	0.00Å	0.00Å
O8	C27	sing	0.00Å	0.00Å
C27	C30	sing	0.00Å	0.00Å
C30	O9	sing	0.00Å	0.00Å
O9	C32	sing	0.00Å	0.00Å
C32	C33	sing	0.00Å	0.00Å
C33	O10	sing	0.00Å	0.00Å
O10	C31	sing	0.00Å	0.00Å
C31	C34	sing	0.00Å	0.00Å
C34	O11	sing	0.00Å	0.00Å
O11	C36	sing	0.00Å	0.00Å
C36	C37	sing	0.00Å	0.00Å
C37	O12	sing	0.00Å	0.00Å
O12	C39	sing	0.00Å	0.00Å
C39	C40	sing	0.00Å	0.00Å
C40	O13	sing	0.00Å	0.00Å
C22	H29	sing	0.00Å	0.00Å
C22	H30	sing	0.00Å	0.00Å
C24	H31	sing	0.00Å	0.00Å
C24	H32	sing	0.00Å	0.00Å
C25	H33	sing	0.00Å	0.00Å
C25	H34	sing	0.00Å	0.00Å
C23	H35	sing	0.00Å	0.00Å
C23	H36	sing	0.00Å	0.00Å
C26	H37	sing	0.00Å	0.00Å
C26	H38	sing	0.00Å	0.00Å
C28	H39	sing	0.00Å	0.00Å
C28	H40	sing	0.00Å	0.00Å
C29	H41	sing	0.00Å	0.00Å
C29	H42	sing	0.00Å	0.00Å
C27	H43	sing	0.00Å	0.00Å
C27	H44	sing	0.00Å	0.00Å
C30	H45	sing	0.00Å	0.00Å
C30	H46	sing	0.00Å	0.00Å
C32	H47	sing	0.00Å	0.00Å
C32	H48	sing	0.00Å	0.00Å
C33	H49	sing	0.00Å	0.00Å
C33	H50	sing	0.00Å	0.00Å
C31	H51	sing	0.00Å	0.00Å
C31	H52	sing	0.00Å	0.00Å
C34	H53	sing	0.00Å	0.00Å
C34	H54	sing	0.00Å	0.00Å
C36	H55	sing	0.00Å	0.00Å
C36	H56	sing	0.00Å	0.00Å
C37	H57	sing	0.00Å	0.00Å
C37	H58	sing	0.00Å	0.00Å
C39	H59	sing	0.00Å	0.00Å
C39	H60	sing	0.00Å	0.00Å
C40	H61	sing	0.00Å	0.00Å
C40	H62	sing	0.00Å	0.00Å
O13	C35	sing	0.00Å	0.00Å
C35	C38	sing	0.00Å	0.00Å
C38	O14	sing	0.00Å	0.00Å
O14	C42	sing	0.00Å	0.00Å
C42	C43	sing	0.00Å	0.00Å
C43	O15	sing	0.00Å	0.00Å
O15	C45	sing	0.00Å	0.00Å
C45	C46	sing	0.00Å	0.00Å
C46	O16	sing	0.00Å	0.00Å
O16	C41	sing	0.00Å	0.00Å
C41	C44	sing	0.00Å	0.00Å
C44	O17	sing	0.00Å	0.00Å
O17	C48	sing	0.00Å	0.00Å
C48	C49	sing	0.00Å	0.00Å
C49	O18	sing	0.00Å	0.00Å
O18	C51	sing	0.00Å	0.00Å
C51	C52	sing	0.00Å	0.00Å
C52	O19	sing	0.00Å	0.00Å
O19	C47	sing	0.00Å	0.00Å
C47	C50	sing	0.00Å	0.00Å
C50	O20	sing	0.00Å	0.00Å
O20	C54	sing	0.00Å	0.00Å
C54	C55	sing	0.00Å	0.00Å
C55	O21	sing	0.00Å	0.00Å
O21	C57	sing	0.00Å	0.00Å
C57	C58	sing	0.00Å	0.00Å
C58	N9	sing	0.00Å	0.00Å
C58	O22	doub	0.00Å	0.00Å
C35	H63	sing	0.00Å	0.00Å
C35	H64	sing	0.00Å	0.00Å
C38	H65	sing	0.00Å	0.00Å
C38	H66	sing	0.00Å	0.00Å
C42	H67	sing	0.00Å	0.00Å
C42	H68	sing	0.00Å	0.00Å
C43	H69	sing	0.00Å	0.00Å
C43	H70	sing	0.00Å	0.00Å
C45	H71	sing	0.00Å	0.00Å
C45	H72	sing	0.00Å	0.00Å
C46	H73	sing	0.00Å	0.00Å
C46	H74	sing	0.00Å	0.00Å
C41	H75	sing	0.00Å	0.00Å
C41	H76	sing	0.00Å	0.00Å
C44	H77	sing	0.00Å	0.00Å
C44	H78	sing	0.00Å	0.00Å
C48	H79	sing	0.00Å	0.00Å
C48	H80	sing	0.00Å	0.00Å
C49	H81	sing	0.00Å	0.00Å
C49	H82	sing	0.00Å	0.00Å
C51	H83	sing	0.00Å	0.00Å
C51	H84	sing	0.00Å	0.00Å
C52	H85	sing	0.00Å	0.00Å
C52	H86	sing	0.00Å	0.00Å
C47	H87	sing	0.00Å	0.00Å
C47	H88	sing	0.00Å	0.00Å
C50	H89	sing	0.00Å	0.00Å
C50	H90	sing	0.00Å	0.00Å
C54	H91	sing	0.00Å	0.00Å
C54	H92	sing	0.00Å	0.00Å
C55	H93	sing	0.00Å	0.00Å
C55	H94	sing	0.00Å	0.00Å
C57	H95	sing	0.00Å	0.00Å
C57	H96	sing	0.00Å	0.00Å
N9	H98	sing	0.00Å	0.00Å
N9	C53	sing	0.00Å	0.00Å
C53	C56	sing	0.00Å	0.00Å
C53	C59	sing	0.00Å	0.00Å
C56	N10	sing	0.00Å	0.00Å
C59	N11	sing	0.00Å	0.00Å
C59	O23	doub	0.00Å	0.00Å
N11	C60	sing	0.00Å	0.00Å
C60	C61	sing	0.00Å	0.00Å
C61	O24	doub	0.00Å	0.00Å
C61	N12	sing	0.00Å	0.00Å
N12	C62	sing	0.00Å	0.00Å
C62	C63	doub	0.00Å	0.00Å	Aromatic
C63	C64	sing	0.00Å	0.00Å	Aromatic
C64	N16	doub	0.00Å	0.00Å	Aromatic
N16	N13	sing	0.00Å	0.00Å	Aromatic
N13	C66	sing	0.00Å	0.00Å	Aromatic
C66	C62	sing	0.00Å	0.00Å	Aromatic
C66	N14	doub	0.00Å	0.00Å	Aromatic
N14	N15	sing	0.00Å	0.00Å	Aromatic
N15	C69	doub	0.00Å	0.00Å	Aromatic
C69	N13	sing	0.00Å	0.00Å	Aromatic
C69	C65	sing	0.00Å	0.00Å
C64	C67	sing	0.00Å	0.00Å
C67	C68	sing	0.00Å	0.00Å	Aromatic
C68	C70	doub	0.00Å	0.00Å	Aromatic
C70	C71	sing	0.00Å	0.00Å	Aromatic
C71	C72	doub	0.00Å	0.00Å	Aromatic
C72	C73	sing	0.00Å	0.00Å	Aromatic
C73	C67	doub	0.00Å	0.00Å	Aromatic
C71	C74	sing	0.00Å	0.00Å
C72	N17	sing	0.00Å	0.00Å
N17	S1	sing	0.00Å	0.00Å
S1	C76	sing	0.00Å	0.00Å
S1	O25	doub	0.00Å	0.00Å
S1	O26	doub	0.00Å	0.00Å
C53	H97	sing	0.00Å	0.00Å
C56	H99	sing	0.00Å	0.00Å
C56	H100	sing	0.00Å	0.00Å
N10	H101	sing	0.00Å	0.00Å
N10	H102	sing	0.00Å	0.00Å
N11	H103	sing	0.00Å	0.00Å
C60	H104	sing	0.00Å	0.00Å
C60	H105	sing	0.00Å	0.00Å
N12	H106	sing	0.00Å	0.00Å
C63	H107	sing	0.00Å	0.00Å
C65	H108	sing	0.00Å	0.00Å
C65	H110	sing	0.00Å	0.00Å
C65	H109	sing	0.00Å	0.00Å
C76	H111	sing	0.00Å	0.00Å
C76	H113	sing	0.00Å	0.00Å
C76	H112	sing	0.00Å	0.00Å
C68	H115	sing	0.00Å	0.00Å
C70	H116	sing	0.00Å	0.00Å
C73	H114	sing	0.00Å	0.00Å
C74	H117	sing	0.00Å	0.00Å
C74	H118	sing	0.00Å	0.00Å
C74	H119	sing	0.00Å	0.00Å
N17	H120	sing	0.00Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C13	S	O2	107.7°	90.0°
C13	S	N5	107.5°	90.0°
C13	S	O1	109.1°	90.0°
S	C13	H16	109.5°	90.0°
S	C13	H17	109.5°	90.0°
S	C13	H18	109.5°	90.0°
O2	S	N5	108.1°	90.0°
O2	S	O1	118.5°	90.0°
S	N5	C11	130.8°	90.0°
N5	S	O1	105.5°	90.0°
S	N5	H22	103.9°	90.0°
N5	C11	C10	119.3°	90.0°
N5	C11	C12	120.0°	90.0°
C11	N5	H22	103.9°	90.0°
C14	C10	C11	121.0°	90.0°
C14	C10	C9	120.7°	90.0°
C10	C14	H10	109.5°	90.0°
C10	C14	H11	109.5°	90.0°
C10	C14	H12	109.5°	90.0°
C10	C11	C12	120.4°	90.0°
C11	C10	C9	117.7°	90.0°
C11	C12	C7	121.6°	90.0°
C11	C12	H19	119.2°	90.0°
C10	C9	C8	122.0°	90.0°
C10	C9	H23	119.0°	90.0°
C6	C5	N2	124.2°	90.0°
C6	C5	N4	127.0°	90.0°
C5	C6	H2	109.5°	90.0°
C5	C6	H3	109.5°	90.0°
C5	C6	H4	109.5°	90.0°
C12	C7	C8	118.2°	90.0°
C12	C7	C3	120.1°	90.0°
C7	C12	H19	119.2°	90.0°
C9	C8	C7	120.1°	90.0°
C9	C8	H5	120.0°	90.0°
C8	C9	H23	119.0°	90.0°
C8	C7	C3	121.6°	90.0°
C7	C8	H5	120.0°	90.0°
C7	C3	N1	115.4°	90.0°
C7	C3	C2	122.6°	90.0°
C3	N1	N2	115.4°	90.0°
N1	C3	C2	122.0°	90.0°
N1	N2	C5	125.4°	90.0°
N1	N2	C4	127.6°	90.0°
N2	C5	N4	108.8°	90.0°
C5	N2	C4	107.0°	90.0°
C5	N4	N3	108.3°	90.0°
C3	C2	C1	122.0°	90.0°
C3	C2	H1	119.0°	90.0°
N2	C4	N3	108.6°	90.0°
N2	C4	C1	116.1°	90.0°
N4	N3	C4	107.2°	90.0°
C2	C1	C4	116.9°	90.0°
C2	C1	N	128.1°	90.0°
C1	C2	H1	119.0°	90.0°
N3	C4	C1	135.3°	90.0°
C4	C1	N	115.1°	90.0°
C1	N	C	124.7°	90.0°
C1	N	H21	117.6°	90.0°
N	C	O	120.5°	90.0°
N	C	C15	119.4°	90.0°
C	N	H21	117.7°	90.0°
O3	C17	N6	121.5°	90.0°
O3	C17	C18	121.9°	90.0°
O	C	C15	120.1°	90.0°
C	C15	C16	113.4°	90.0°
C	C15	H8	108.5°	90.0°
C	C15	H9	108.5°	90.0°
C17	N6	C16	125.8°	90.0°
N6	C17	C18	116.5°	90.0°
C17	N6	H20	117.1°	90.0°
N6	C16	C15	111.9°	90.0°
N6	C16	H6	108.8°	90.0°
N6	C16	H7	108.9°	90.0°
C16	N6	H20	117.1°	90.0°
C17	C18	H13	109.5°	90.0°
C17	C18	C19	51.6°	90.0°
C17	C18	N7	51.6°	90.0°
C15	C16	H6	108.9°	90.0°
C15	C16	H7	108.9°	90.0°
C16	C15	H8	108.5°	90.0°
C16	C15	H9	108.5°	90.0°
H2	C6	H3	109.5°	90.0°
H2	C6	H4	109.5°	90.0°
H3	C6	H4	109.4°	90.0°
H6	C16	H7	109.5°	90.0°
H8	C15	H9	109.5°	90.0°
H10	C14	H11	109.5°	90.0°
H10	C14	H12	109.4°	90.0°
H11	C14	H12	109.5°	90.0°
H13	C18	C19	158.4°	90.0°
H13	C18	N7	158.4°	90.0°
H16	C13	H17	109.5°	90.0°
H16	C13	H18	109.5°	90.0°
H17	C13	H18	109.4°	90.0°
C19	C18	N7	0.0°	90.0°
C18	C19	N8	90.0°	90.0°
C18	C19	H14	90.0°	90.0°
C18	C19	H15	90.0°	90.0°
C18	N7	C20	90.0°	90.0°
C18	N7	H24	90.0°	90.0°
N8	C19	H14	90.0°	90.0°
N8	C19	H15	90.0°	90.0°
C19	N8	H25	90.0°	90.0°
C19	N8	H26	90.0°	90.0°
N7	C20	C21	90.0°	90.0°
N7	C20	O4	90.0°	90.0°
C20	N7	H24	90.0°	90.0°
C21	C20	O4	90.0°	90.0°
C20	C21	H27	90.0°	90.0°
C20	C21	H28	90.0°	90.0°
C20	C21	C22	90.0°	90.0°
H14	C19	H15	90.0°	90.0°
H25	N8	H26	90.0°	90.0°
H27	C21	H28	90.0°	90.0°
H27	C21	C22	90.0°	90.0°
H28	C21	C22	90.0°	90.0°
C21	C22	O5	90.0°	90.0°
C21	C22	H29	90.0°	90.0°
C21	C22	H30	90.0°	90.0°
C22	O5	C24	90.0°	90.0°
O5	C22	H29	90.0°	90.0°
O5	C22	H30	90.0°	90.0°
O5	C24	C25	90.0°	90.0°
O5	C24	H31	90.0°	90.0°
O5	C24	H32	90.0°	90.0°
C24	C25	O6	90.0°	90.0°
C25	C24	H31	90.0°	90.0°
C25	C24	H32	90.0°	90.0°
C24	C25	H33	90.0°	90.0°
C24	C25	H34	90.0°	90.0°
C25	O6	C23	90.0°	90.0°
O6	C25	H33	90.0°	90.0°
O6	C25	H34	90.0°	90.0°
O6	C23	C26	90.0°	90.0°
O6	C23	H35	90.0°	90.0°
O6	C23	H36	90.0°	90.0°
C23	C26	O7	90.0°	90.0°
C26	C23	H35	90.0°	90.0°
C26	C23	H36	90.0°	90.0°
C23	C26	H37	90.0°	90.0°
C23	C26	H38	90.0°	90.0°
C26	O7	C28	90.0°	90.0°
O7	C26	H37	90.0°	90.0°
O7	C26	H38	90.0°	90.0°
O7	C28	C29	90.0°	90.0°
O7	C28	H39	90.0°	90.0°
O7	C28	H40	90.0°	90.0°
C28	C29	O8	90.0°	90.0°
C29	C28	H39	90.0°	90.0°
C29	C28	H40	90.0°	90.0°
C28	C29	H41	90.0°	90.0°
C28	C29	H42	90.0°	90.0°
C29	O8	C27	90.0°	90.0°
O8	C29	H41	90.0°	90.0°
O8	C29	H42	90.0°	90.0°
O8	C27	C30	90.0°	90.0°
O8	C27	H43	90.0°	90.0°
O8	C27	H44	90.0°	90.0°
C27	C30	O9	90.0°	90.0°
C30	C27	H43	90.0°	90.0°
C30	C27	H44	90.0°	90.0°
C27	C30	H45	90.0°	90.0°
C27	C30	H46	90.0°	90.0°
C30	O9	C32	90.0°	90.0°
O9	C30	H45	90.0°	90.0°
O9	C30	H46	90.0°	90.0°
O9	C32	C33	90.0°	90.0°
O9	C32	H47	90.0°	90.0°
O9	C32	H48	90.0°	90.0°
C32	C33	O10	90.0°	90.0°
C33	C32	H47	90.0°	90.0°
C33	C32	H48	90.0°	90.0°
C32	C33	H49	90.0°	90.0°
C32	C33	H50	90.0°	90.0°
C33	O10	C31	90.0°	90.0°
O10	C33	H49	90.0°	90.0°
O10	C33	H50	90.0°	90.0°
O10	C31	C34	90.0°	90.0°
O10	C31	H51	90.0°	90.0°
O10	C31	H52	90.0°	90.0°
C31	C34	O11	90.0°	90.0°
C34	C31	H51	90.0°	90.0°
C34	C31	H52	90.0°	90.0°
C31	C34	H53	90.0°	90.0°
C31	C34	H54	90.0°	90.0°
C34	O11	C36	90.0°	90.0°
O11	C34	H53	90.0°	90.0°
O11	C34	H54	90.0°	90.0°
O11	C36	C37	90.0°	90.0°
O11	C36	H55	90.0°	90.0°
O11	C36	H56	90.0°	90.0°
C36	C37	O12	90.0°	90.0°
C37	C36	H55	90.0°	90.0°
C37	C36	H56	90.0°	90.0°
C36	C37	H57	90.0°	90.0°
C36	C37	H58	90.0°	90.0°
C37	O12	C39	90.0°	90.0°
O12	C37	H57	90.0°	90.0°
O12	C37	H58	90.0°	90.0°
O12	C39	C40	90.0°	90.0°
O12	C39	H59	90.0°	90.0°
O12	C39	H60	90.0°	90.0°
C39	C40	O13	90.0°	90.0°
C40	C39	H59	90.0°	90.0°
C40	C39	H60	90.0°	90.0°
C39	C40	H61	90.0°	90.0°
C39	C40	H62	90.0°	90.0°
O13	C40	H61	90.0°	90.0°
O13	C40	H62	90.0°	90.0°
C40	O13	C35	90.0°	90.0°
H29	C22	H30	90.0°	90.0°
H31	C24	H32	90.0°	90.0°
H33	C25	H34	90.0°	90.0°
H35	C23	H36	90.0°	90.0°
H37	C26	H38	90.0°	90.0°
H39	C28	H40	90.0°	90.0°
H41	C29	H42	90.0°	90.0°
H43	C27	H44	90.0°	90.0°
H45	C30	H46	90.0°	90.0°
H47	C32	H48	90.0°	90.0°
H49	C33	H50	90.0°	90.0°
H51	C31	H52	90.0°	90.0°
H53	C34	H54	90.0°	90.0°
H55	C36	H56	90.0°	90.0°
H57	C37	H58	90.0°	90.0°
H59	C39	H60	90.0°	90.0°
H61	C40	H62	90.0°	90.0°
O13	C35	C38	90.0°	90.0°
O13	C35	H63	90.0°	90.0°
O13	C35	H64	90.0°	90.0°
C35	C38	O14	90.0°	90.0°
C38	C35	H63	90.0°	90.0°
C38	C35	H64	90.0°	90.0°
C35	C38	H65	90.0°	90.0°
C35	C38	H66	90.0°	90.0°
C38	O14	C42	90.0°	90.0°
O14	C38	H65	90.0°	90.0°
O14	C38	H66	90.0°	90.0°
O14	C42	C43	90.0°	90.0°
O14	C42	H67	90.0°	90.0°
O14	C42	H68	90.0°	90.0°
C42	C43	O15	90.0°	90.0°
C43	C42	H67	90.0°	90.0°
C43	C42	H68	90.0°	90.0°
C42	C43	H69	90.0°	90.0°
C42	C43	H70	90.0°	90.0°
C43	O15	C45	90.0°	90.0°
O15	C43	H69	90.0°	90.0°
O15	C43	H70	90.0°	90.0°
O15	C45	C46	90.0°	90.0°
O15	C45	H71	90.0°	90.0°
O15	C45	H72	90.0°	90.0°
C45	C46	O16	90.0°	90.0°
C46	C45	H71	90.0°	90.0°
C46	C45	H72	90.0°	90.0°
C45	C46	H73	90.0°	90.0°
C45	C46	H74	90.0°	90.0°
C46	O16	C41	90.0°	90.0°
O16	C46	H73	90.0°	90.0°
O16	C46	H74	90.0°	90.0°
O16	C41	C44	90.0°	90.0°
O16	C41	H75	90.0°	90.0°
O16	C41	H76	90.0°	90.0°
C41	C44	O17	90.0°	90.0°
C44	C41	H75	90.0°	90.0°
C44	C41	H76	90.0°	90.0°
C41	C44	H77	90.0°	90.0°
C41	C44	H78	90.0°	90.0°
C44	O17	C48	90.0°	90.0°
O17	C44	H77	90.0°	90.0°
O17	C44	H78	90.0°	90.0°
O17	C48	C49	90.0°	90.0°
O17	C48	H79	90.0°	90.0°
O17	C48	H80	90.0°	90.0°
C48	C49	O18	90.0°	90.0°
C49	C48	H79	90.0°	90.0°
C49	C48	H80	90.0°	90.0°
C48	C49	H81	90.0°	90.0°
C48	C49	H82	90.0°	90.0°
C49	O18	C51	90.0°	90.0°
O18	C49	H81	90.0°	90.0°
O18	C49	H82	90.0°	90.0°
O18	C51	C52	90.0°	90.0°
O18	C51	H83	90.0°	90.0°
O18	C51	H84	90.0°	90.0°
C51	C52	O19	90.0°	90.0°
C52	C51	H83	90.0°	90.0°
C52	C51	H84	90.0°	90.0°
C51	C52	H85	90.0°	90.0°
C51	C52	H86	90.0°	90.0°
C52	O19	C47	90.0°	90.0°
O19	C52	H85	90.0°	90.0°
O19	C52	H86	90.0°	90.0°
O19	C47	C50	90.0°	90.0°
O19	C47	H87	90.0°	90.0°
O19	C47	H88	90.0°	90.0°
C47	C50	O20	90.0°	90.0°
C50	C47	H87	90.0°	90.0°
C50	C47	H88	90.0°	90.0°
C47	C50	H89	90.0°	90.0°
C47	C50	H90	90.0°	90.0°
C50	O20	C54	90.0°	90.0°
O20	C50	H89	90.0°	90.0°
O20	C50	H90	90.0°	90.0°
O20	C54	C55	90.0°	90.0°
O20	C54	H91	90.0°	90.0°
O20	C54	H92	90.0°	90.0°
C54	C55	O21	90.0°	90.0°
C55	C54	H91	90.0°	90.0°
C55	C54	H92	90.0°	90.0°
C54	C55	H93	90.0°	90.0°
C54	C55	H94	90.0°	90.0°
C55	O21	C57	90.0°	90.0°
O21	C55	H93	90.0°	90.0°
O21	C55	H94	90.0°	90.0°
O21	C57	C58	90.0°	90.0°
O21	C57	H95	90.0°	90.0°
O21	C57	H96	90.0°	90.0°
C57	C58	N9	90.0°	90.0°
C57	C58	O22	90.0°	90.0°
C58	C57	H95	90.0°	90.0°
C58	C57	H96	90.0°	90.0°
N9	C58	O22	90.0°	90.0°
C58	N9	H98	90.0°	90.0°
C58	N9	C53	90.0°	90.0°
H63	C35	H64	90.0°	90.0°
H65	C38	H66	90.0°	90.0°
H67	C42	H68	90.0°	90.0°
H69	C43	H70	90.0°	90.0°
H71	C45	H72	90.0°	90.0°
H73	C46	H74	90.0°	90.0°
H75	C41	H76	90.0°	90.0°
H77	C44	H78	90.0°	90.0°
H79	C48	H80	90.0°	90.0°
H81	C49	H82	90.0°	90.0°
H83	C51	H84	90.0°	90.0°
H85	C52	H86	90.0°	90.0°
H87	C47	H88	90.0°	90.0°
H89	C50	H90	90.0°	90.0°
H91	C54	H92	90.0°	90.0°
H93	C55	H94	90.0°	90.0°
H95	C57	H96	90.0°	90.0°
H98	N9	C53	90.0°	90.0°
N9	C53	C56	90.0°	90.0°
N9	C53	C59	90.0°	90.0°
N9	C53	H97	90.0°	90.0°
C56	C53	C59	90.0°	90.0°
C53	C56	N10	90.0°	90.0°
C56	C53	H97	90.0°	90.0°
C53	C56	H99	90.0°	90.0°
C53	C56	H100	90.0°	90.0°
C53	C59	N11	90.0°	90.0°
C53	C59	O23	90.0°	90.0°
C59	C53	H97	90.0°	90.0°
N10	C56	H99	90.0°	90.0°
N10	C56	H100	90.0°	90.0°
C56	N10	H101	90.0°	90.0°
C56	N10	H102	90.0°	90.0°
N11	C59	O23	90.0°	90.0°
C59	N11	C60	90.0°	90.0°
C59	N11	H103	90.0°	90.0°
N11	C60	C61	90.0°	90.0°
C60	N11	H103	90.0°	90.0°
N11	C60	H104	90.0°	90.0°
N11	C60	H105	90.0°	90.0°
C60	C61	O24	90.0°	90.0°
C60	C61	N12	90.0°	90.0°
C61	C60	H104	90.0°	90.0°
C61	C60	H105	90.0°	90.0°
O24	C61	N12	90.0°	90.0°
C61	N12	C62	90.0°	90.0°
C61	N12	H106	90.0°	90.0°
N12	C62	C63	90.0°	90.0°
N12	C62	C66	90.0°	90.0°
C62	N12	H106	90.0°	90.0°
C62	C63	C64	90.0°	90.0°
C63	C62	C66	90.0°	90.0°
C62	C63	H107	90.0°	90.0°
C63	C64	N16	90.0°	90.0°
C63	C64	C67	90.0°	90.0°
C64	C63	H107	90.0°	90.0°
C64	N16	N13	90.0°	90.0°
N16	C64	C67	90.0°	90.0°
N16	N13	C66	90.0°	90.0°
N16	N13	C69	90.0°	90.0°
N13	C66	C62	90.0°	90.0°
N13	C66	N14	90.0°	90.0°
C66	N13	C69	90.0°	90.0°
C62	C66	N14	90.0°	90.0°
C66	N14	N15	90.0°	90.0°
N14	N15	C69	90.0°	90.0°
N15	C69	N13	90.0°	90.0°
N15	C69	C65	90.0°	90.0°
N13	C69	C65	90.0°	90.0°
C69	C65	H108	90.0°	90.0°
C69	C65	H110	90.0°	90.0°
C69	C65	H109	90.0°	90.0°
C64	C67	C68	90.0°	90.0°
C64	C67	C73	90.0°	90.0°
C67	C68	C70	90.0°	90.0°
C68	C67	C73	90.0°	90.0°
C67	C68	H115	90.0°	90.0°
C68	C70	C71	90.0°	90.0°
C70	C68	H115	90.0°	90.0°
C68	C70	H116	90.0°	90.0°
C70	C71	C72	90.0°	90.0°
C70	C71	C74	90.0°	90.0°
C71	C70	H116	90.0°	90.0°
C71	C72	C73	90.0°	90.0°
C72	C71	C74	90.0°	90.0°
C71	C72	N17	90.0°	90.0°
C72	C73	C67	90.0°	90.0°
C73	C72	N17	90.0°	90.0°
C72	C73	H114	90.0°	90.0°
C67	C73	H114	90.0°	90.0°
C71	C74	H117	90.0°	90.0°
C71	C74	H118	90.0°	90.0°
C71	C74	H119	90.0°	90.0°
C72	N17	S1	90.0°	90.0°
C72	N17	H120	90.0°	90.0°
N17	S1	C76	90.0°	90.0°
N17	S1	O25	90.0°	90.0°
N17	S1	O26	90.0°	90.0°
S1	N17	H120	90.0°	90.0°
C76	S1	O25	90.0°	90.0°
C76	S1	O26	90.0°	90.0°
S1	C76	H111	90.0°	90.0°
S1	C76	H113	90.0°	90.0°
S1	C76	H112	90.0°	90.0°
O25	S1	O26	90.0°	90.0°
H99	C56	H100	90.0°	90.0°
H101	N10	H102	90.0°	90.0°
H104	C60	H105	90.0°	90.0°
H108	C65	H110	90.0°	90.0°
H108	C65	H109	90.0°	90.0°
H110	C65	H109	90.0°	90.0°
H111	C76	H113	90.0°	90.0°
H111	C76	H112	90.0°	90.0°
H113	C76	H112	90.0°	90.0°
H117	C74	H118	90.0°	90.0°
H117	C74	H119	90.0°	90.0°
H118	C74	H119	90.0°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C13	S	O2	N5	115.9°	90.0°
C13	S	O2	O1	124.4°	90.0°
C13	S	N5	O1	116.4°	90.0°
C13	S	N5	C11	78.6°	90.0°
S	C13	H16	H17	120.0°	90.0°
S	C13	H16	H18	120.0°	90.0°
S	C13	H17	H18	120.0°	90.0°
C13	S	N5	H22	158.7°	90.0°
O2	S	N5	O1	127.6°	90.0°
O2	S	N5	C11	165.4°	90.0°
O2	S	C13	H16	180.0°	90.0°
O2	S	C13	H17	60.0°	90.0°
O2	S	C13	H18	60.0°	90.0°
O2	S	N5	H22	42.7°	90.0°
S	N5	C11	H22	122.7°	90.0°
S	N5	C11	C10	160.9°	90.0°
S	N5	C11	C12	13.3°	90.0°
N5	S	C13	H16	63.7°	90.0°
N5	S	C13	H17	56.3°	90.0°
N5	S	C13	H18	176.2°	90.0°
C11	N5	S	O1	37.8°	90.0°
N5	C11	C10	C14	5.9°	90.0°
N5	C11	C10	C12	174.2°	90.0°
N5	C11	C10	C9	176.7°	90.0°
N5	C11	C12	C7	175.4°	90.0°
N5	C11	C12	H19	4.6°	90.0°
O1	S	C13	H16	50.2°	90.0°
O1	S	C13	H17	170.2°	90.0°
O1	S	C13	H18	69.8°	90.0°
O1	S	N5	H22	85.0°	90.0°
C14	C10	C11	C9	170.8°	90.0°
C14	C10	C11	C12	168.2°	90.0°
C14	C10	C9	C8	168.6°	90.0°
C10	C14	H10	H11	120.0°	90.0°
C10	C14	H10	H12	120.0°	90.0°
C10	C14	H11	H12	120.0°	90.0°
C14	C10	C9	H23	11.5°	90.0°
C10	C11	C12	C7	1.3°	90.0°
C11	C10	C9	C8	2.3°	90.0°
C11	C10	C14	H10	94.7°	90.0°
C11	C10	C14	H11	145.2°	90.0°
C11	C10	C14	H12	25.2°	90.0°
C10	C11	C12	H19	178.7°	90.0°
C10	C11	N5	H22	38.2°	90.0°
C11	C10	C9	H23	177.7°	90.0°
C12	C11	C10	C9	2.5°	90.0°
C11	C12	C7	H19	180.0°	90.0°
C11	C12	C7	C8	0.4°	90.0°
C11	C12	C7	C3	176.6°	90.0°
C12	C11	N5	H22	136.0°	90.0°
C10	C9	C8	H23	180.0°	90.0°
C10	C9	C8	C7	0.6°	90.0°
C10	C9	C8	H5	179.4°	90.0°
C9	C10	C14	H10	94.7°	90.0°
C9	C10	C14	H11	25.3°	90.0°
C9	C10	C14	H12	145.3°	90.0°
C6	C5	N2	N1	1.0°	90.0°
C6	C5	N2	N4	179.6°	90.0°
C6	C5	N2	C4	179.1°	90.0°
C6	C5	N4	N3	178.4°	90.0°
C5	C6	H2	H3	120.0°	90.0°
C5	C6	H2	H4	120.0°	90.0°
C5	C6	H3	H4	120.0°	90.0°
C12	C7	C8	C9	0.7°	90.0°
C12	C7	C8	C3	176.2°	90.0°
C12	C7	C3	N1	20.8°	90.0°
C12	C7	C3	C2	157.9°	90.0°
C12	C7	C8	H5	179.3°	90.0°
C9	C8	C7	H5	180.0°	90.0°
C9	C8	C7	C3	176.9°	90.0°
C8	C7	C3	N1	155.3°	90.0°
C8	C7	C3	C2	26.0°	90.0°
C8	C7	C12	H19	179.6°	90.0°
C7	C8	C9	H23	179.3°	90.0°
C7	C3	N1	C2	178.7°	90.0°
C7	C3	N1	N2	178.3°	90.0°
C7	C3	C2	C1	176.9°	90.0°
C7	C3	C2	H1	3.1°	90.0°
C3	C7	C8	H5	3.1°	90.0°
C3	C7	C12	H19	3.3°	90.0°
C3	N1	N2	C5	178.5°	90.0°
C3	N1	N2	C4	1.4°	90.0°
N1	C3	C2	C1	1.7°	90.0°
N1	C3	C2	H1	178.3°	90.0°
N1	N2	C5	C4	179.9°	90.0°
N1	N2	C5	N4	179.3°	90.0°
N2	N1	C3	C2	0.4°	90.0°
N1	N2	C4	N3	179.7°	90.0°
N1	N2	C4	C1	1.7°	90.0°
N2	C5	N4	N3	1.2°	90.0°
C5	N2	C4	N3	0.3°	90.0°
C5	N2	C4	C1	178.2°	90.0°
N2	C5	C6	H2	179.5°	90.0°
N2	C5	C6	H3	60.4°	90.0°
N2	C5	C6	H4	59.5°	90.0°
N4	C5	N2	C4	0.6°	90.0°
C5	N4	N3	C4	1.4°	90.0°
N4	C5	C6	H2	0.0°	90.0°
N4	C5	C6	H3	120.0°	90.0°
N4	C5	C6	H4	120.0°	90.0°
C3	C2	C1	H1	180.0°	90.0°
C3	C2	C1	C4	1.3°	90.0°
C3	C2	C1	N	179.8°	90.0°
N2	C4	N3	N4	1.1°	90.0°
N2	C4	C1	C2	0.3°	90.0°
N2	C4	N3	C1	178.1°	90.0°
N2	C4	C1	N	178.7°	90.0°
N4	N3	C4	C1	177.0°	90.0°
C2	C1	C4	N3	178.3°	90.0°
C2	C1	C4	N	179.0°	90.0°
C2	C1	N	C	7.2°	90.0°
C2	C1	N	H21	172.8°	90.0°
N3	C4	C1	N	0.7°	90.0°
C4	C1	N	C	173.9°	90.0°
C4	C1	C2	H1	178.7°	90.0°
C4	C1	N	H21	6.1°	90.0°
C1	N	C	H21	180.0°	90.0°
C1	N	C	O	1.5°	90.0°
C1	N	C	C15	177.4°	90.0°
N	C1	C2	H1	0.2°	90.0°
N	C	O	C15	178.9°	90.0°
N	C	C15	C16	150.8°	90.0°
N	C	C15	H8	30.2°	90.0°
N	C	C15	H9	88.6°	90.0°
O3	C17	N6	C18	175.6°	90.0°
O3	C17	N6	C16	119.6°	90.0°
O3	C17	C18	H13	4.4°	90.0°
O3	C17	N6	H20	60.4°	90.0°
O3	C17	C18	C19	163.6°	90.0°
O3	C17	C18	N7	163.6°	90.0°
O	C	C15	C16	30.3°	90.0°
O	C	C15	H8	150.9°	90.0°
O	C	C15	H9	90.3°	90.0°
O	C	N	H21	178.5°	90.0°
C	C15	C16	N6	76.9°	90.0°
C	C15	C16	H8	120.6°	90.0°
C	C15	C16	H9	120.6°	90.0°
C	C15	C16	H6	43.5°	90.0°
C	C15	C16	H7	162.8°	90.0°
C	C15	H8	H9	118.2°	90.0°
C15	C	N	H21	2.6°	90.0°
C17	N6	C16	H20	180.0°	90.0°
C17	N6	C16	C15	172.7°	90.0°
C17	N6	C16	H6	66.9°	90.0°
C17	N6	C16	H7	52.4°	90.0°
N6	C17	C18	H13	180.0°	90.0°
N6	C17	C18	C19	12.0°	90.0°
N6	C17	C18	N7	12.0°	90.0°
C16	N6	C17	C18	64.8°	90.0°
N6	C16	C15	H6	120.3°	90.0°
N6	C16	C15	H7	120.4°	90.0°
N6	C16	H6	H7	118.9°	90.0°
N6	C16	C15	H8	43.7°	90.0°
N6	C16	C15	H9	162.5°	90.0°
C17	C18	H13	C19	26.3°	90.0°
C17	C18	H13	N7	26.3°	90.0°
C18	C17	N6	H20	115.2°	90.0°
C17	C18	C19	N7	90.0°	90.0°
C17	C18	C19	N8	90.0°	90.0°
C17	C18	N7	C20	90.0°	90.0°
C17	C18	C19	H14	90.0°	90.0°
C17	C18	C19	H15	90.0°	90.0°
C17	C18	N7	H24	90.0°	90.0°
C15	C16	H6	H7	118.9°	90.0°
C16	C15	H8	H9	118.2°	90.0°
C15	C16	N6	H20	7.3°	90.0°
H2	C6	H3	H4	120.0°	90.0°
H5	C8	C9	H23	0.7°	90.0°
H6	C16	C15	H8	164.0°	90.0°
H6	C16	C15	H9	77.1°	90.0°
H6	C16	N6	H20	113.1°	90.0°
H7	C16	C15	H8	76.7°	90.0°
H7	C16	C15	H9	42.2°	90.0°
H7	C16	N6	H20	127.6°	90.0°
H10	C14	H11	H12	120.0°	90.0°
H13	C18	C19	N7	90.0°	90.0°
H13	C18	C19	N8	90.0°	90.0°
H13	C18	N7	C20	90.0°	90.0°
H13	C18	C19	H14	90.0°	90.0°
H13	C18	C19	H15	90.0°	90.0°
H13	C18	N7	H24	90.0°	90.0°
H16	C13	H17	H18	120.0°	90.0°
C18	C19	N8	H14	90.0°	90.0°
C18	C19	N8	H15	90.0°	90.0°
C19	C18	N7	C20	90.0°	90.0°
C18	C19	H14	H15	90.0°	90.0°
C19	C18	N7	H24	90.0°	90.0°
C18	C19	N8	H25	90.0°	90.0°
C18	C19	N8	H26	90.0°	90.0°
N7	C18	C19	N8	90.0°	90.0°
C18	N7	C20	H24	90.0°	90.0°
C18	N7	C20	C21	90.0°	90.0°
C18	N7	C20	O4	90.0°	90.0°
N7	C18	C19	H14	90.0°	90.0°
N7	C18	C19	H15	90.0°	90.0°
N8	C19	H14	H15	90.0°	90.0°
C19	N8	H25	H26	90.0°	90.0°
N7	C20	C21	O4	90.0°	90.0°
N7	C20	C21	H27	90.0°	90.0°
N7	C20	C21	H28	90.0°	90.0°
N7	C20	C21	C22	90.0°	90.0°
C21	C20	N7	H24	90.0°	90.0°
C20	C21	H27	H28	90.0°	90.0°
C20	C21	H27	C22	90.0°	90.0°
C20	C21	H28	C22	90.0°	90.0°
C20	C21	C22	O5	90.0°	90.0°
C20	C21	C22	H29	90.0°	90.0°
C20	C21	C22	H30	90.0°	90.0°
O4	C20	N7	H24	90.0°	90.0°
O4	C20	C21	H27	90.0°	90.0°
O4	C20	C21	H28	90.0°	90.0°
O4	C20	C21	C22	90.0°	90.0°
H14	C19	N8	H25	90.0°	90.0°
H14	C19	N8	H26	90.0°	90.0°
H15	C19	N8	H25	90.0°	90.0°
H15	C19	N8	H26	90.0°	90.0°
H27	C21	H28	C22	90.0°	90.0°
H27	C21	C22	O5	90.0°	90.0°
H27	C21	C22	H29	90.0°	90.0°
H27	C21	C22	H30	90.0°	90.0°
H28	C21	C22	O5	90.0°	90.0°
H28	C21	C22	H29	90.0°	90.0°
H28	C21	C22	H30	90.0°	90.0°
C21	C22	O5	H29	90.0°	90.0°
C21	C22	O5	H30	90.0°	90.0°
C21	C22	O5	C24	90.0°	90.0°
C21	C22	H29	H30	90.0°	90.0°
C22	O5	C24	C25	90.0°	90.0°
O5	C22	H29	H30	90.0°	90.0°
C22	O5	C24	H31	90.0°	90.0°
C22	O5	C24	H32	90.0°	90.0°
O5	C24	C25	H31	90.0°	90.0°
O5	C24	C25	H32	90.0°	90.0°
O5	C24	C25	O6	90.0°	90.0°
C24	O5	C22	H29	90.0°	90.0°
C24	O5	C22	H30	90.0°	90.0°
O5	C24	H31	H32	90.0°	90.0°
O5	C24	C25	H33	90.0°	90.0°
O5	C24	C25	H34	90.0°	90.0°
C24	C25	O6	H33	90.0°	90.0°
C24	C25	O6	H34	90.0°	90.0°
C24	C25	O6	C23	90.0°	90.0°
C25	C24	H31	H32	90.0°	90.0°
C24	C25	H33	H34	90.0°	90.0°
C25	O6	C23	C26	90.0°	90.0°
O6	C25	C24	H31	90.0°	90.0°
O6	C25	C24	H32	90.0°	90.0°
O6	C25	H33	H34	90.0°	90.0°
C25	O6	C23	H35	90.0°	90.0°
C25	O6	C23	H36	90.0°	90.0°
O6	C23	C26	H35	90.0°	90.0°
O6	C23	C26	H36	90.0°	90.0°
O6	C23	C26	O7	90.0°	90.0°
C23	O6	C25	H33	90.0°	90.0°
C23	O6	C25	H34	90.0°	90.0°
O6	C23	H35	H36	90.0°	90.0°
O6	C23	C26	H37	90.0°	90.0°
O6	C23	C26	H38	90.0°	90.0°
C23	C26	O7	H37	90.0°	90.0°
C23	C26	O7	H38	90.0°	90.0°
C23	C26	O7	C28	90.0°	90.0°
C26	C23	H35	H36	90.0°	90.0°
C23	C26	H37	H38	90.0°	90.0°
C26	O7	C28	C29	90.0°	90.0°
O7	C26	C23	H35	90.0°	90.0°
O7	C26	C23	H36	90.0°	90.0°
O7	C26	H37	H38	90.0°	90.0°
C26	O7	C28	H39	90.0°	90.0°
C26	O7	C28	H40	90.0°	90.0°
O7	C28	C29	H39	90.0°	90.0°
O7	C28	C29	H40	90.0°	90.0°
O7	C28	C29	O8	90.0°	90.0°
C28	O7	C26	H37	90.0°	90.0°
C28	O7	C26	H38	90.0°	90.0°
O7	C28	H39	H40	90.0°	90.0°
O7	C28	C29	H41	90.0°	90.0°
O7	C28	C29	H42	90.0°	90.0°
C28	C29	O8	H41	90.0°	90.0°
C28	C29	O8	H42	90.0°	90.0°
C28	C29	O8	C27	90.0°	90.0°
C29	C28	H39	H40	90.0°	90.0°
C28	C29	H41	H42	90.0°	90.0°
C29	O8	C27	C30	90.0°	90.0°
O8	C29	C28	H39	90.0°	90.0°
O8	C29	C28	H40	90.0°	90.0°
O8	C29	H41	H42	90.0°	90.0°
C29	O8	C27	H43	90.0°	90.0°
C29	O8	C27	H44	90.0°	90.0°
O8	C27	C30	H43	90.0°	90.0°
O8	C27	C30	H44	90.0°	90.0°
O8	C27	C30	O9	90.0°	90.0°
C27	O8	C29	H41	90.0°	90.0°
C27	O8	C29	H42	90.0°	90.0°
O8	C27	H43	H44	90.0°	90.0°
O8	C27	C30	H45	90.0°	90.0°
O8	C27	C30	H46	90.0°	90.0°
C27	C30	O9	H45	90.0°	90.0°
C27	C30	O9	H46	90.0°	90.0°
C27	C30	O9	C32	90.0°	90.0°
C30	C27	H43	H44	90.0°	90.0°
C27	C30	H45	H46	90.0°	90.0°
C30	O9	C32	C33	90.0°	90.0°
O9	C30	C27	H43	90.0°	90.0°
O9	C30	C27	H44	90.0°	90.0°
O9	C30	H45	H46	90.0°	90.0°
C30	O9	C32	H47	90.0°	90.0°
C30	O9	C32	H48	90.0°	90.0°
O9	C32	C33	H47	90.0°	90.0°
O9	C32	C33	H48	90.0°	90.0°
O9	C32	C33	O10	90.0°	90.0°
C32	O9	C30	H45	90.0°	90.0°
C32	O9	C30	H46	90.0°	90.0°
O9	C32	H47	H48	90.0°	90.0°
O9	C32	C33	H49	90.0°	90.0°
O9	C32	C33	H50	90.0°	90.0°
C32	C33	O10	H49	90.0°	90.0°
C32	C33	O10	H50	90.0°	90.0°
C32	C33	O10	C31	90.0°	90.0°
C33	C32	H47	H48	90.0°	90.0°
C32	C33	H49	H50	90.0°	90.0°
C33	O10	C31	C34	90.0°	90.0°
O10	C33	C32	H47	90.0°	90.0°
O10	C33	C32	H48	90.0°	90.0°
O10	C33	H49	H50	90.0°	90.0°
C33	O10	C31	H51	90.0°	90.0°
C33	O10	C31	H52	90.0°	90.0°
O10	C31	C34	H51	90.0°	90.0°
O10	C31	C34	H52	90.0°	90.0°
O10	C31	C34	O11	90.0°	90.0°
C31	O10	C33	H49	90.0°	90.0°
C31	O10	C33	H50	90.0°	90.0°
O10	C31	H51	H52	90.0°	90.0°
O10	C31	C34	H53	90.0°	90.0°
O10	C31	C34	H54	90.0°	90.0°
C31	C34	O11	H53	90.0°	90.0°
C31	C34	O11	H54	90.0°	90.0°
C31	C34	O11	C36	90.0°	90.0°
C34	C31	H51	H52	90.0°	90.0°
C31	C34	H53	H54	90.0°	90.0°
C34	O11	C36	C37	90.0°	90.0°
O11	C34	C31	H51	90.0°	90.0°
O11	C34	C31	H52	90.0°	90.0°
O11	C34	H53	H54	90.0°	90.0°
C34	O11	C36	H55	90.0°	90.0°
C34	O11	C36	H56	90.0°	90.0°
O11	C36	C37	H55	90.0°	90.0°
O11	C36	C37	H56	90.0°	90.0°
O11	C36	C37	O12	90.0°	90.0°
C36	O11	C34	H53	90.0°	90.0°
C36	O11	C34	H54	90.0°	90.0°
O11	C36	H55	H56	90.0°	90.0°
O11	C36	C37	H57	90.0°	90.0°
O11	C36	C37	H58	90.0°	90.0°
C36	C37	O12	H57	90.0°	90.0°
C36	C37	O12	H58	90.0°	90.0°
C36	C37	O12	C39	90.0°	90.0°
C37	C36	H55	H56	90.0°	90.0°
C36	C37	H57	H58	90.0°	90.0°
C37	O12	C39	C40	90.0°	90.0°
O12	C37	C36	H55	90.0°	90.0°
O12	C37	C36	H56	90.0°	90.0°
O12	C37	H57	H58	90.0°	90.0°
C37	O12	C39	H59	90.0°	90.0°
C37	O12	C39	H60	90.0°	90.0°
O12	C39	C40	H59	90.0°	90.0°
O12	C39	C40	H60	90.0°	90.0°
O12	C39	C40	O13	90.0°	90.0°
C39	O12	C37	H57	90.0°	90.0°
C39	O12	C37	H58	90.0°	90.0°
O12	C39	H59	H60	90.0°	90.0°
O12	C39	C40	H61	90.0°	90.0°
O12	C39	C40	H62	90.0°	90.0°
C39	C40	O13	H61	90.0°	90.0°
C39	C40	O13	H62	90.0°	90.0°
C40	C39	H59	H60	90.0°	90.0°
C39	C40	H61	H62	90.0°	90.0°
C39	C40	O13	C35	90.0°	90.0°
O13	C40	C39	H59	90.0°	90.0°
O13	C40	C39	H60	90.0°	90.0°
O13	C40	H61	H62	90.0°	90.0°
C40	O13	C35	C38	90.0°	90.0°
C40	O13	C35	H63	90.0°	90.0°
C40	O13	C35	H64	90.0°	90.0°
H31	C24	C25	H33	90.0°	90.0°
H31	C24	C25	H34	90.0°	90.0°
H32	C24	C25	H33	90.0°	90.0°
H32	C24	C25	H34	90.0°	90.0°
H35	C23	C26	H37	90.0°	90.0°
H35	C23	C26	H38	90.0°	90.0°
H36	C23	C26	H37	90.0°	90.0°
H36	C23	C26	H38	90.0°	90.0°
H39	C28	C29	H41	90.0°	90.0°
H39	C28	C29	H42	90.0°	90.0°
H40	C28	C29	H41	90.0°	90.0°
H40	C28	C29	H42	90.0°	90.0°
H43	C27	C30	H45	90.0°	90.0°
H43	C27	C30	H46	90.0°	90.0°
H44	C27	C30	H45	90.0°	90.0°
H44	C27	C30	H46	90.0°	90.0°
H47	C32	C33	H49	90.0°	90.0°
H47	C32	C33	H50	90.0°	90.0°
H48	C32	C33	H49	90.0°	90.0°
H48	C32	C33	H50	90.0°	90.0°
H51	C31	C34	H53	90.0°	90.0°
H51	C31	C34	H54	90.0°	90.0°
H52	C31	C34	H53	90.0°	90.0°
H52	C31	C34	H54	90.0°	90.0°
H55	C36	C37	H57	90.0°	90.0°
H55	C36	C37	H58	90.0°	90.0°
H56	C36	C37	H57	90.0°	90.0°
H56	C36	C37	H58	90.0°	90.0°
H59	C39	C40	H61	90.0°	90.0°
H59	C39	C40	H62	90.0°	90.0°
H60	C39	C40	H61	90.0°	90.0°
H60	C39	C40	H62	90.0°	90.0°
H61	C40	O13	C35	90.0°	90.0°
H62	C40	O13	C35	90.0°	90.0°
O13	C35	C38	H63	90.0°	90.0°
O13	C35	C38	H64	90.0°	90.0°
O13	C35	C38	O14	90.0°	90.0°
O13	C35	H63	H64	90.0°	90.0°
O13	C35	C38	H65	90.0°	90.0°
O13	C35	C38	H66	90.0°	90.0°
C35	C38	O14	H65	90.0°	90.0°
C35	C38	O14	H66	90.0°	90.0°
C35	C38	O14	C42	90.0°	90.0°
C38	C35	H63	H64	90.0°	90.0°
C35	C38	H65	H66	90.0°	90.0°
C38	O14	C42	C43	90.0°	90.0°
O14	C38	C35	H63	90.0°	90.0°
O14	C38	C35	H64	90.0°	90.0°
O14	C38	H65	H66	90.0°	90.0°
C38	O14	C42	H67	90.0°	90.0°
C38	O14	C42	H68	90.0°	90.0°
O14	C42	C43	H67	90.0°	90.0°
O14	C42	C43	H68	90.0°	90.0°
O14	C42	C43	O15	90.0°	90.0°
C42	O14	C38	H65	90.0°	90.0°
C42	O14	C38	H66	90.0°	90.0°
O14	C42	H67	H68	90.0°	90.0°
O14	C42	C43	H69	90.0°	90.0°
O14	C42	C43	H70	90.0°	90.0°
C42	C43	O15	H69	90.0°	90.0°
C42	C43	O15	H70	90.0°	90.0°
C42	C43	O15	C45	90.0°	90.0°
C43	C42	H67	H68	90.0°	90.0°
C42	C43	H69	H70	90.0°	90.0°
C43	O15	C45	C46	90.0°	90.0°
O15	C43	C42	H67	90.0°	90.0°
O15	C43	C42	H68	90.0°	90.0°
O15	C43	H69	H70	90.0°	90.0°
C43	O15	C45	H71	90.0°	90.0°
C43	O15	C45	H72	90.0°	90.0°
O15	C45	C46	H71	90.0°	90.0°
O15	C45	C46	H72	90.0°	90.0°
O15	C45	C46	O16	90.0°	90.0°
C45	O15	C43	H69	90.0°	90.0°
C45	O15	C43	H70	90.0°	90.0°
O15	C45	H71	H72	90.0°	90.0°
O15	C45	C46	H73	90.0°	90.0°
O15	C45	C46	H74	90.0°	90.0°
C45	C46	O16	H73	90.0°	90.0°
C45	C46	O16	H74	90.0°	90.0°
C45	C46	O16	C41	90.0°	90.0°
C46	C45	H71	H72	90.0°	90.0°
C45	C46	H73	H74	90.0°	90.0°
C46	O16	C41	C44	90.0°	90.0°
O16	C46	C45	H71	90.0°	90.0°
O16	C46	C45	H72	90.0°	90.0°
O16	C46	H73	H74	90.0°	90.0°
C46	O16	C41	H75	90.0°	90.0°
C46	O16	C41	H76	90.0°	90.0°
O16	C41	C44	H75	90.0°	90.0°
O16	C41	C44	H76	90.0°	90.0°
O16	C41	C44	O17	90.0°	90.0°
C41	O16	C46	H73	90.0°	90.0°
C41	O16	C46	H74	90.0°	90.0°
O16	C41	H75	H76	90.0°	90.0°
O16	C41	C44	H77	90.0°	90.0°
O16	C41	C44	H78	90.0°	90.0°
C41	C44	O17	H77	90.0°	90.0°
C41	C44	O17	H78	90.0°	90.0°
C41	C44	O17	C48	90.0°	90.0°
C44	C41	H75	H76	90.0°	90.0°
C41	C44	H77	H78	90.0°	90.0°
C44	O17	C48	C49	90.0°	90.0°
O17	C44	C41	H75	90.0°	90.0°
O17	C44	C41	H76	90.0°	90.0°
O17	C44	H77	H78	90.0°	90.0°
C44	O17	C48	H79	90.0°	90.0°
C44	O17	C48	H80	90.0°	90.0°
O17	C48	C49	H79	90.0°	90.0°
O17	C48	C49	H80	90.0°	90.0°
O17	C48	C49	O18	90.0°	90.0°
C48	O17	C44	H77	90.0°	90.0°
C48	O17	C44	H78	90.0°	90.0°
O17	C48	H79	H80	90.0°	90.0°
O17	C48	C49	H81	90.0°	90.0°
O17	C48	C49	H82	90.0°	90.0°
C48	C49	O18	H81	90.0°	90.0°
C48	C49	O18	H82	90.0°	90.0°
C48	C49	O18	C51	90.0°	90.0°
C49	C48	H79	H80	90.0°	90.0°
C48	C49	H81	H82	90.0°	90.0°
C49	O18	C51	C52	90.0°	90.0°
O18	C49	C48	H79	90.0°	90.0°
O18	C49	C48	H80	90.0°	90.0°
O18	C49	H81	H82	90.0°	90.0°
C49	O18	C51	H83	90.0°	90.0°
C49	O18	C51	H84	90.0°	90.0°
O18	C51	C52	H83	90.0°	90.0°
O18	C51	C52	H84	90.0°	90.0°
O18	C51	C52	O19	90.0°	90.0°
C51	O18	C49	H81	90.0°	90.0°
C51	O18	C49	H82	90.0°	90.0°
O18	C51	H83	H84	90.0°	90.0°
O18	C51	C52	H85	90.0°	90.0°
O18	C51	C52	H86	90.0°	90.0°
C51	C52	O19	H85	90.0°	90.0°
C51	C52	O19	H86	90.0°	90.0°
C51	C52	O19	C47	90.0°	90.0°
C52	C51	H83	H84	90.0°	90.0°
C51	C52	H85	H86	90.0°	90.0°
C52	O19	C47	C50	90.0°	90.0°
O19	C52	C51	H83	90.0°	90.0°
O19	C52	C51	H84	90.0°	90.0°
O19	C52	H85	H86	90.0°	90.0°
C52	O19	C47	H87	90.0°	90.0°
C52	O19	C47	H88	90.0°	90.0°
O19	C47	C50	H87	90.0°	90.0°
O19	C47	C50	H88	90.0°	90.0°
O19	C47	C50	O20	90.0°	90.0°
C47	O19	C52	H85	90.0°	90.0°
C47	O19	C52	H86	90.0°	90.0°
O19	C47	H87	H88	90.0°	90.0°
O19	C47	C50	H89	90.0°	90.0°
O19	C47	C50	H90	90.0°	90.0°
C47	C50	O20	H89	90.0°	90.0°
C47	C50	O20	H90	90.0°	90.0°
C47	C50	O20	C54	90.0°	90.0°
C50	C47	H87	H88	90.0°	90.0°
C47	C50	H89	H90	90.0°	90.0°
C50	O20	C54	C55	90.0°	90.0°
O20	C50	C47	H87	90.0°	90.0°
O20	C50	C47	H88	90.0°	90.0°
O20	C50	H89	H90	90.0°	90.0°
C50	O20	C54	H91	90.0°	90.0°
C50	O20	C54	H92	90.0°	90.0°
O20	C54	C55	H91	90.0°	90.0°
O20	C54	C55	H92	90.0°	90.0°
O20	C54	C55	O21	90.0°	90.0°
C54	O20	C50	H89	90.0°	90.0°
C54	O20	C50	H90	90.0°	90.0°
O20	C54	H91	H92	90.0°	90.0°
O20	C54	C55	H93	90.0°	90.0°
O20	C54	C55	H94	90.0°	90.0°
C54	C55	O21	H93	90.0°	90.0°
C54	C55	O21	H94	90.0°	90.0°
C54	C55	O21	C57	90.0°	90.0°
C55	C54	H91	H92	90.0°	90.0°
C54	C55	H93	H94	90.0°	90.0°
C55	O21	C57	C58	90.0°	90.0°
O21	C55	C54	H91	90.0°	90.0°
O21	C55	C54	H92	90.0°	90.0°
O21	C55	H93	H94	90.0°	90.0°
C55	O21	C57	H95	90.0°	90.0°
C55	O21	C57	H96	90.0°	90.0°
O21	C57	C58	H95	90.0°	90.0°
O21	C57	C58	H96	90.0°	90.0°
O21	C57	C58	N9	90.0°	90.0°
O21	C57	C58	O22	90.0°	90.0°
C57	O21	C55	H93	90.0°	90.0°
C57	O21	C55	H94	90.0°	90.0°
O21	C57	H95	H96	90.0°	90.0°
C57	C58	N9	O22	90.0°	90.0°
C58	C57	H95	H96	90.0°	90.0°
C57	C58	N9	H98	90.0°	90.0°
C57	C58	N9	C53	90.0°	90.0°
N9	C58	C57	H95	90.0°	90.0°
N9	C58	C57	H96	90.0°	90.0°
C58	N9	H98	C53	90.0°	90.0°
C58	N9	C53	C56	90.0°	90.0°
C58	N9	C53	C59	90.0°	90.0°
C58	N9	C53	H97	90.0°	90.0°
O22	C58	C57	H95	90.0°	90.0°
O22	C58	C57	H96	90.0°	90.0°
O22	C58	N9	H98	90.0°	90.0°
O22	C58	N9	C53	90.0°	90.0°
H63	C35	C38	H65	90.0°	90.0°
H63	C35	C38	H66	90.0°	90.0°
H64	C35	C38	H65	90.0°	90.0°
H64	C35	C38	H66	90.0°	90.0°
H67	C42	C43	H69	90.0°	90.0°
H67	C42	C43	H70	90.0°	90.0°
H68	C42	C43	H69	90.0°	90.0°
H68	C42	C43	H70	90.0°	90.0°
H71	C45	C46	H73	90.0°	90.0°
H71	C45	C46	H74	90.0°	90.0°
H72	C45	C46	H73	90.0°	90.0°
H72	C45	C46	H74	90.0°	90.0°
H75	C41	C44	H77	90.0°	90.0°
H75	C41	C44	H78	90.0°	90.0°
H76	C41	C44	H77	90.0°	90.0°
H76	C41	C44	H78	90.0°	90.0°
H79	C48	C49	H81	90.0°	90.0°
H79	C48	C49	H82	90.0°	90.0°
H80	C48	C49	H81	90.0°	90.0°
H80	C48	C49	H82	90.0°	90.0°
H83	C51	C52	H85	90.0°	90.0°
H83	C51	C52	H86	90.0°	90.0°
H84	C51	C52	H85	90.0°	90.0°
H84	C51	C52	H86	90.0°	90.0°
H87	C47	C50	H89	90.0°	90.0°
H87	C47	C50	H90	90.0°	90.0°
H88	C47	C50	H89	90.0°	90.0°
H88	C47	C50	H90	90.0°	90.0°
H91	C54	C55	H93	90.0°	90.0°
H91	C54	C55	H94	90.0°	90.0°
H92	C54	C55	H93	90.0°	90.0°
H92	C54	C55	H94	90.0°	90.0°
H98	N9	C53	C56	90.0°	90.0°
H98	N9	C53	C59	90.0°	90.0°
H98	N9	C53	H97	90.0°	90.0°
N9	C53	C56	C59	90.0°	90.0°
N9	C53	C56	H97	90.0°	90.0°
N9	C53	C59	H97	90.0°	90.0°
N9	C53	C56	N10	90.0°	90.0°
N9	C53	C59	N11	90.0°	90.0°
N9	C53	C59	O23	90.0°	90.0°
N9	C53	C56	H99	90.0°	90.0°
N9	C53	C56	H100	90.0°	90.0°
C56	C53	C59	H97	90.0°	90.0°
C53	C56	N10	H99	90.0°	90.0°
C53	C56	N10	H100	90.0°	90.0°
C56	C53	C59	N11	90.0°	90.0°
C56	C53	C59	O23	90.0°	90.0°
C53	C56	H99	H100	90.0°	90.0°
C53	C56	N10	H101	90.0°	90.0°
C53	C56	N10	H102	90.0°	90.0°
C59	C53	C56	N10	90.0°	90.0°
C53	C59	N11	O23	90.0°	90.0°
C53	C59	N11	C60	90.0°	90.0°
C59	C53	C56	H99	90.0°	90.0°
C59	C53	C56	H100	90.0°	90.0°
C53	C59	N11	H103	90.0°	90.0°
N10	C56	C53	H97	90.0°	90.0°
N10	C56	H99	H100	90.0°	90.0°
C56	N10	H101	H102	90.0°	90.0°
C59	N11	C60	H103	90.0°	90.0°
C59	N11	C60	C61	90.0°	90.0°
N11	C59	C53	H97	90.0°	90.0°
C59	N11	C60	H104	90.0°	90.0°
C59	N11	C60	H105	90.0°	90.0°
O23	C59	N11	C60	90.0°	90.0°
O23	C59	C53	H97	90.0°	90.0°
O23	C59	N11	H103	90.0°	90.0°
N11	C60	C61	H104	90.0°	90.0°
N11	C60	C61	H105	90.0°	90.0°
N11	C60	C61	O24	90.0°	90.0°
N11	C60	C61	N12	90.0°	90.0°
N11	C60	H104	H105	90.0°	90.0°
C60	C61	O24	N12	90.0°	90.0°
C60	C61	N12	C62	90.0°	90.0°
C61	C60	N11	H103	90.0°	90.0°
C61	C60	H104	H105	90.0°	90.0°
C60	C61	N12	H106	90.0°	90.0°
O24	C61	N12	C62	90.0°	90.0°
O24	C61	C60	H104	90.0°	90.0°
O24	C61	C60	H105	90.0°	90.0°
O24	C61	N12	H106	90.0°	90.0°
C61	N12	C62	H106	90.0°	90.0°
C61	N12	C62	C63	90.0°	90.0°
C61	N12	C62	C66	90.0°	90.0°
N12	C61	C60	H104	90.0°	90.0°
N12	C61	C60	H105	90.0°	90.0°
N12	C62	C63	C66	90.0°	90.0°
N12	C62	C63	C64	90.0°	90.0°
N12	C62	C66	N13	90.0°	90.0°
N12	C62	C66	N14	90.0°	90.0°
N12	C62	C63	H107	90.0°	90.0°
C62	C63	C64	H107	90.0°	90.0°
C62	C63	C64	N16	90.0°	90.0°
C63	C62	C66	N13	90.0°	90.0°
C63	C62	C66	N14	90.0°	90.0°
C62	C63	C64	C67	90.0°	90.0°
C63	C62	N12	H106	90.0°	90.0°
C63	C64	N16	C67	90.0°	90.0°
C63	C64	N16	N13	90.0°	90.0°
C64	C63	C62	C66	90.0°	90.0°
C63	C64	C67	C68	90.0°	90.0°
C63	C64	C67	C73	90.0°	90.0°
C64	N16	N13	C66	90.0°	90.0°
C64	N16	N13	C69	90.0°	90.0°
N16	C64	C67	C68	90.0°	90.0°
N16	C64	C67	C73	90.0°	90.0°
N16	C64	C63	H107	90.0°	90.0°
N16	N13	C66	C69	90.0°	90.0°
N16	N13	C66	C62	90.0°	90.0°
N16	N13	C66	N14	90.0°	90.0°
N16	N13	C69	N15	90.0°	90.0°
N16	N13	C69	C65	90.0°	90.0°
N13	N16	C64	C67	90.0°	90.0°
N13	C66	C62	N14	90.0°	90.0°
N13	C66	N14	N15	90.0°	90.0°
C66	N13	C69	N15	90.0°	90.0°
C66	N13	C69	C65	90.0°	90.0°
C62	C66	N14	N15	90.0°	90.0°
C62	C66	N13	C69	90.0°	90.0°
C66	C62	N12	H106	90.0°	90.0°
C66	C62	C63	H107	90.0°	90.0°
C66	N14	N15	C69	90.0°	90.0°
N14	C66	N13	C69	90.0°	90.0°
N14	N15	C69	N13	90.0°	90.0°
N14	N15	C69	C65	90.0°	90.0°
N15	C69	N13	C65	90.0°	90.0°
N15	C69	C65	H108	90.0°	90.0°
N15	C69	C65	H110	90.0°	90.0°
N15	C69	C65	H109	90.0°	90.0°
N13	C69	C65	H108	90.0°	90.0°
N13	C69	C65	H110	90.0°	90.0°
N13	C69	C65	H109	90.0°	90.0°
C69	C65	H108	H110	90.0°	90.0°
C69	C65	H108	H109	90.0°	90.0°
C69	C65	H110	H109	90.0°	90.0°
C64	C67	C68	C73	90.0°	90.0°
C64	C67	C68	C70	90.0°	90.0°
C64	C67	C73	C72	90.0°	90.0°
C67	C64	C63	H107	90.0°	90.0°
C64	C67	C68	H115	90.0°	90.0°
C64	C67	C73	H114	90.0°	90.0°
C67	C68	C70	H115	90.0°	90.0°
C67	C68	C70	C71	90.0°	90.0°
C68	C67	C73	C72	90.0°	90.0°
C67	C68	C70	H116	90.0°	90.0°
C68	C67	C73	H114	90.0°	90.0°
C68	C70	C71	H116	90.0°	90.0°
C68	C70	C71	C72	90.0°	90.0°
C70	C68	C67	C73	90.0°	90.0°
C68	C70	C71	C74	90.0°	90.0°
C70	C71	C72	C74	90.0°	90.0°
C70	C71	C72	C73	90.0°	90.0°
C70	C71	C72	N17	90.0°	90.0°
C71	C70	C68	H115	90.0°	90.0°
C70	C71	C74	H117	90.0°	90.0°
C70	C71	C74	H118	90.0°	90.0°
C70	C71	C74	H119	90.0°	90.0°
C71	C72	C73	N17	90.0°	90.0°
C71	C72	C73	C67	90.0°	90.0°
C71	C72	N17	S1	90.0°	90.0°
C72	C71	C70	H116	90.0°	90.0°
C71	C72	C73	H114	90.0°	90.0°
C72	C71	C74	H117	90.0°	90.0°
C72	C71	C74	H118	90.0°	90.0°
C72	C71	C74	H119	90.0°	90.0°
C71	C72	N17	H120	90.0°	90.0°
C72	C73	C67	H114	90.0°	90.0°
C73	C72	C71	C74	90.0°	90.0°
C73	C72	N17	S1	90.0°	90.0°
C73	C72	N17	H120	90.0°	90.0°
C67	C73	C72	N17	90.0°	90.0°
C73	C67	C68	H115	90.0°	90.0°
C74	C71	C72	N17	90.0°	90.0°
C74	C71	C70	H116	90.0°	90.0°
C71	C74	H117	H118	90.0°	90.0°
C71	C74	H117	H119	90.0°	90.0°
C71	C74	H118	H119	90.0°	90.0°
C72	N17	S1	H120	90.0°	90.0°
C72	N17	S1	C76	90.0°	90.0°
C72	N17	S1	O25	90.0°	90.0°
C72	N17	S1	O26	90.0°	90.0°
N17	C72	C73	H114	90.0°	90.0°
N17	S1	C76	O25	90.0°	90.0°
N17	S1	C76	O26	90.0°	90.0°
N17	S1	O25	O26	90.0°	90.0°
N17	S1	C76	H111	90.0°	90.0°
N17	S1	C76	H113	90.0°	90.0°
N17	S1	C76	H112	90.0°	90.0°
C76	S1	O25	O26	90.0°	90.0°
S1	C76	H111	H113	90.0°	90.0°
S1	C76	H111	H112	90.0°	90.0°
S1	C76	H113	H112	90.0°	90.0°
C76	S1	N17	H120	90.0°	90.0°
O25	S1	C76	H111	90.0°	90.0°
O25	S1	C76	H113	90.0°	90.0°
O25	S1	C76	H112	90.0°	90.0°
O25	S1	N17	H120	90.0°	90.0°
O26	S1	C76	H111	90.0°	90.0°
O26	S1	C76	H113	90.0°	90.0°
O26	S1	C76	H112	90.0°	90.0°
O26	S1	N17	H120	90.0°	90.0°
H97	C53	C56	H99	90.0°	90.0°
H97	C53	C56	H100	90.0°	90.0°
H99	C56	N10	H101	90.0°	90.0°
H99	C56	N10	H102	90.0°	90.0°
H100	C56	N10	H101	90.0°	90.0°
H100	C56	N10	H102	90.0°	90.0°
H103	N11	C60	H104	90.0°	90.0°
H103	N11	C60	H105	90.0°	90.0°
H108	C65	H110	H109	90.0°	90.0°
H111	C76	H113	H112	90.0°	90.0°
H115	C68	C70	H116	90.0°	90.0°
H117	C74	H118	H119	90.0°	90.0°

Release date:	2018-01-31
Definition date:	2018-01-22
Last modified:	2018-01-26
Release status:	REL
Processing site:	EBI
Derived from:	6FIC