PRD_000760

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	doub	0.00Å	1.23Å
C1	C2	sing	0.00Å	1.50Å
C2	N1	doub	0.00Å	1.36Å	Aromatic
C2	C3	sing	0.00Å	1.39Å	Aromatic
N1	C4	sing	0.00Å	1.36Å	Aromatic
C3	C5	doub	0.00Å	1.39Å	Aromatic
C3	H1	sing	0.00Å	1.08Å
C4	C6	sing	0.00Å	1.52Å
C4	C7	doub	0.00Å	1.39Å	Aromatic
C5	C7	sing	0.00Å	1.40Å	Aromatic
C5	C9	sing	0.00Å	1.53Å
C6	O2	sing	0.00Å	1.43Å
C6	C8	sing	0.00Å	1.55Å
C6	H2	sing	0.00Å	1.10Å
C7	C10	sing	0.00Å	1.47Å
O2	H3	sing	0.00Å	0.95Å
C8	C12	sing	0.00Å	1.53Å
C8	H4	sing	0.00Å	1.10Å
C9	O3	sing	0.00Å	1.43Å
C9	C11	sing	0.00Å	1.52Å
C9	H5	sing	0.00Å	1.10Å
O3	H6	sing	0.00Å	0.95Å
C10	C12	doub	0.00Å	1.30Å
C10	H7	sing	0.00Å	1.08Å
C11	H8	sing	0.00Å	1.10Å
C11	H9	sing	0.00Å	1.10Å
C11	H10	sing	0.00Å	1.10Å
C12	H11	sing	0.00Å	1.08Å
N2	C13	sing	0.00Å	1.49Å
N2	H12	sing	0.00Å	1.00Å
C13	C14	sing	0.00Å	1.53Å
C13	C15	sing	0.00Å	1.54Å
C13	H13	sing	0.00Å	1.10Å
C14	O4	doub	0.00Å	1.23Å
C15	C16	sing	0.00Å	1.53Å
C15	C17	sing	0.00Å	1.52Å
C15	H14	sing	0.00Å	1.10Å
C16	C18	sing	0.00Å	1.51Å
C16	H15	sing	0.00Å	1.10Å
C16	H16	sing	0.00Å	1.10Å
C17	H17	sing	0.00Å	1.10Å
C17	H18	sing	0.00Å	1.10Å
C17	H19	sing	0.00Å	1.10Å
C18	H20	sing	0.00Å	1.10Å
C18	H21	sing	0.00Å	1.10Å
C18	H22	sing	0.00Å	1.10Å
N3	C19	sing	0.00Å	1.46Å
N3	H23	sing	0.00Å	1.00Å
C19	C20	sing	0.00Å	1.53Å
C19	C21	sing	0.00Å	1.52Å
C19	H24	sing	0.00Å	1.10Å
C20	O5	doub	0.00Å	1.23Å
C21	H25	sing	0.00Å	1.10Å
C21	H26	sing	0.00Å	1.10Å
C21	H27	sing	0.00Å	1.10Å
N4	C22	sing	0.00Å	1.48Å
N4	H28	sing	0.00Å	1.00Å
C22	C23	doub	0.00Å	1.33Å
C22	C24	sing	0.00Å	1.45Å
C23	H29	sing	0.00Å	1.08Å
C23	H30	sing	0.00Å	1.08Å
C24	O6	doub	0.00Å	1.23Å
N5	C25	sing	0.00Å	1.46Å
N5	H31	sing	0.00Å	1.00Å
C25	C26	sing	0.00Å	1.53Å
C25	C27	sing	0.00Å	1.52Å
C25	H32	sing	0.00Å	1.10Å
C26	O7	doub	0.00Å	1.23Å
C27	H33	sing	0.00Å	1.10Å
C27	H34	sing	0.00Å	1.10Å
C27	H35	sing	0.00Å	1.10Å
N6	C28	sing	0.00Å	1.51Å
N6	H36	sing	0.00Å	1.00Å
C28	C29	sing	0.00Å	1.46Å
C28	C30	sing	0.00Å	1.55Å
C30	H37	sing	0.00Å	1.10Å
C30	H38	sing	0.00Å	1.10Å
N7	C31	sing	0.00Å	1.35Å
C31	C32	sing	0.00Å	1.45Å
C31	C33	doub	0.00Å	1.43Å
C32	O8	doub	0.00Å	1.23Å
C33	S1	sing	0.00Å	1.68Å
C33	H39	sing	0.00Å	1.08Å
N8	C34	sing	0.00Å	1.46Å
N8	H40	sing	0.00Å	1.00Å
C34	C35	sing	0.00Å	1.53Å
C34	C36	sing	0.00Å	1.54Å
C34	H41	sing	0.00Å	1.10Å
C35	O9	doub	0.00Å	1.23Å
C36	O10	sing	0.00Å	1.43Å
C36	C37	sing	0.00Å	1.52Å
C36	H42	sing	0.00Å	1.10Å
O10	H43	sing	0.00Å	0.95Å
C37	H44	sing	0.00Å	1.10Å
C37	H45	sing	0.00Å	1.10Å
C37	H46	sing	0.00Å	1.10Å
N9	C38	sing	0.00Å	1.47Å
N9	H47	sing	0.00Å	1.00Å
C38	C39	doub	0.00Å	1.33Å
C38	C41	sing	0.00Å	1.48Å
C39	C40	sing	0.00Å	1.53Å
C39	H48	sing	0.00Å	1.08Å
C40	H49	sing	0.00Å	1.10Å
C40	H50	sing	0.00Å	1.10Å
C40	H51	sing	0.00Å	1.10Å
N10	C42	sing	0.00Å	1.35Å
C42	C43	sing	0.00Å	1.45Å
C42	C44	doub	0.00Å	1.43Å
C43	O11	doub	0.00Å	1.23Å
C44	S2	sing	0.00Å	1.68Å
C44	H52	sing	0.00Å	1.08Å
N11	C45	sing	0.00Å	1.46Å
C45	C46	sing	0.00Å	1.53Å
C45	C47	sing	0.00Å	1.57Å
C47	O12	sing	0.00Å	1.42Å
C47	C48	sing	0.00Å	1.50Å
C47	C49	sing	0.00Å	1.57Å
C49	O13	sing	0.00Å	1.43Å
C49	C50	sing	0.00Å	1.52Å
N11	H53	sing	0.00Å	1.00Å
C45	H54	sing	0.00Å	1.10Å
O12	H55	sing	0.00Å	0.95Å
C48	H56	sing	0.00Å	1.10Å
C48	H57	sing	0.00Å	1.10Å
C48	H58	sing	0.00Å	1.10Å
C49	H59	sing	0.00Å	1.10Å
O13	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
N12	C51	sing	0.00Å	1.35Å
C51	C52	sing	0.00Å	1.45Å
C51	C53	doub	0.00Å	1.43Å
C52	O14	doub	0.00Å	1.23Å
C53	S3	sing	0.00Å	1.68Å
C53	H64	sing	0.00Å	1.08Å
N13	C54	sing	0.00Å	1.46Å
N13	H65	sing	0.00Å	1.00Å
C54	C55	sing	0.00Å	1.53Å
C54	C56	sing	0.00Å	1.54Å
C54	H66	sing	0.00Å	1.10Å
C56	O15	sing	0.00Å	1.48Å
C56	C57	sing	0.00Å	1.52Å
C56	H67	sing	0.00Å	1.10Å
C57	H68	sing	0.00Å	1.10Å
C57	H69	sing	0.00Å	1.10Å
C57	H70	sing	0.00Å	1.10Å
N14	C58	sing	0.00Å	1.35Å
C58	C59	sing	0.00Å	1.50Å
C58	C60	doub	0.00Å	1.43Å
C60	S4	sing	0.00Å	1.68Å
C60	H71	sing	0.00Å	1.08Å
N15	C61	doub	0.00Å	1.29Å
C61	C62	sing	0.00Å	1.48Å
C61	C63	sing	0.00Å	1.47Å
C63	H72	sing	0.00Å	1.10Å
C63	H73	sing	0.00Å	1.10Å
N16	C64	sing	0.00Å	1.35Å
C64	C65	sing	0.00Å	1.44Å
C64	C66	doub	0.00Å	1.42Å
C65	O16	doub	0.00Å	1.23Å
C66	S5	sing	0.00Å	1.69Å
C66	H74	sing	0.00Å	1.08Å
N17	C67	sing	0.00Å	1.47Å
N17	H75	sing	0.00Å	1.00Å
C67	C68	doub	0.00Å	1.32Å
C67	C69	sing	0.00Å	1.45Å
C68	H76	sing	0.00Å	1.08Å
C68	H77	sing	0.00Å	1.08Å
C69	O17	doub	0.00Å	1.23Å
N18	H78	sing	0.00Å	1.00Å
N18	H79	sing	0.00Å	1.00Å
C1	O15	sing	0.00Å	1.33Å
C8	N2	sing	0.00Å	1.49Å
C20	N4	sing	0.00Å	1.34Å
C24	N5	sing	0.00Å	1.33Å
C30	C63	sing	0.00Å	1.52Å
C29	N7	doub	0.00Å	1.30Å
C29	S1	sing	0.00Å	1.72Å
C28	C59	sing	0.00Å	1.57Å
C32	N8	sing	0.00Å	1.33Å
C35	N9	sing	0.00Å	1.33Å
C41	S2	sing	0.00Å	1.72Å
C41	N10	doub	0.00Å	1.29Å
C43	N11	sing	0.00Å	1.33Å
C46	S3	sing	0.00Å	1.72Å
C46	N12	doub	0.00Å	1.29Å
C52	N13	sing	0.00Å	1.33Å
C55	S4	sing	0.00Å	1.72Å
C55	N14	doub	0.00Å	1.29Å
C59	N15	sing	0.00Å	1.47Å
C62	S5	sing	0.00Å	1.72Å
C62	N16	doub	0.00Å	1.29Å
C65	N17	sing	0.00Å	1.33Å
C69	N18	sing	0.00Å	1.33Å
C14	N3	sing	0.00Å	1.33Å
C26	N6	sing	0.00Å	1.34Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	123.2°	90.0°
O1	C1	O15	125.5°	90.0°
C1	C2	N1	119.2°	90.0°
C1	C2	C3	117.3°	90.0°
C2	C1	O15	111.3°	90.0°
N1	C2	C3	123.5°	90.0°
C2	N1	C4	116.3°	90.0°
C2	C3	C5	119.0°	90.0°
C2	C3	H1	120.5°	90.0°
N1	C4	C6	115.3°	90.0°
N1	C4	C7	124.3°	90.0°
C5	C3	H1	120.5°	90.0°
C3	C5	C7	118.8°	90.0°
C3	C5	C9	119.9°	90.0°
C6	C4	C7	120.3°	90.0°
C4	C6	O2	110.1°	90.0°
C4	C6	C8	111.9°	90.0°
C4	C6	H2	108.3°	90.0°
C4	C7	C5	118.1°	90.0°
C4	C7	C10	119.2°	90.0°
C7	C5	C9	121.3°	90.0°
C5	C7	C10	122.7°	90.0°
C5	C9	O3	111.0°	90.0°
C5	C9	C11	110.1°	90.0°
C5	C9	H5	108.4°	90.0°
O2	C6	C8	109.1°	90.0°
O2	C6	H2	109.5°	90.0°
C6	O2	H3	109.5°	90.0°
C8	C6	H2	107.9°	90.0°
C6	C8	C12	110.9°	90.0°
C6	C8	H4	108.6°	90.0°
C6	C8	N2	112.0°	90.0°
C7	C10	C12	121.7°	90.0°
C7	C10	H7	119.2°	90.0°
C12	C8	H4	108.9°	90.0°
C8	C12	C10	122.2°	90.0°
C8	C12	H11	118.9°	90.0°
C12	C8	N2	106.8°	90.0°
H4	C8	N2	109.4°	90.0°
O3	C9	C11	109.1°	90.0°
O3	C9	H5	109.6°	90.0°
C9	O3	H6	109.5°	90.0°
C11	C9	H5	108.5°	90.0°
C9	C11	H8	109.5°	90.0°
C9	C11	H9	109.5°	90.0°
C9	C11	H10	109.5°	90.0°
C12	C10	H7	119.2°	90.0°
C10	C12	H11	118.9°	90.0°
H8	C11	H9	109.5°	90.0°
H8	C11	H10	109.4°	90.0°
H9	C11	H10	109.4°	90.0°
C13	N2	H12	108.5°	90.0°
N2	C13	C14	111.2°	90.0°
N2	C13	C15	111.4°	90.0°
N2	C13	H13	108.6°	90.0°
C13	N2	C8	113.2°	90.0°
H12	N2	C8	108.6°	90.0°
C14	C13	C15	109.3°	90.0°
C14	C13	H13	108.3°	90.0°
C13	C14	O4	120.9°	90.0°
C13	C14	N3	116.0°	90.0°
C15	C13	H13	108.0°	90.0°
C13	C15	C16	110.5°	90.0°
C13	C15	C17	110.1°	90.0°
C13	C15	H14	108.3°	90.0°
O4	C14	N3	123.1°	90.0°
C16	C15	C17	110.8°	90.0°
C16	C15	H14	108.4°	90.0°
C15	C16	C18	113.8°	90.0°
C15	C16	H15	108.4°	90.0°
C15	C16	H16	108.4°	90.0°
C17	C15	H14	108.6°	90.0°
C15	C17	H17	109.5°	90.0°
C15	C17	H18	109.5°	90.0°
C15	C17	H19	109.4°	90.0°
C18	C16	H15	108.4°	90.0°
C18	C16	H16	108.4°	90.0°
C16	C18	H20	109.5°	90.0°
C16	C18	H21	109.4°	90.0°
C16	C18	H22	109.5°	90.0°
H15	C16	H16	109.5°	90.0°
H17	C17	H18	109.5°	90.0°
H17	C17	H19	109.5°	90.0°
H18	C17	H19	109.5°	90.0°
H20	C18	H21	109.5°	90.0°
H20	C18	H22	109.4°	90.0°
H21	C18	H22	109.5°	90.0°
C19	N3	H23	119.0°	90.0°
N3	C19	C20	110.8°	90.0°
N3	C19	C21	110.4°	90.0°
N3	C19	H24	109.0°	90.0°
C19	N3	C14	121.9°	90.0°
H23	N3	C14	119.1°	90.0°
C20	C19	C21	110.3°	90.0°
C20	C19	H24	108.1°	90.0°
C19	C20	O5	120.5°	90.0°
C19	C20	N4	116.0°	90.0°
C21	C19	H24	108.1°	90.0°
C19	C21	H25	109.5°	90.0°
C19	C21	H26	109.4°	90.0°
C19	C21	H27	109.5°	90.0°
O5	C20	N4	123.5°	90.0°
H25	C21	H26	109.5°	90.0°
H25	C21	H27	109.4°	90.0°
H26	C21	H27	109.5°	90.0°
C22	N4	H28	116.8°	90.0°
N4	C22	C23	125.9°	90.0°
N4	C22	C24	113.0°	90.0°
C22	N4	C20	126.3°	90.0°
H28	N4	C20	116.8°	90.0°
C23	C22	C24	121.1°	90.0°
C22	C23	H29	120.0°	90.0°
C22	C23	H30	120.0°	90.0°
C22	C24	O6	117.2°	90.0°
C22	C24	N5	119.7°	90.0°
H29	C23	H30	120.0°	90.0°
O6	C24	N5	123.2°	90.0°
C25	N5	H31	119.1°	90.0°
N5	C25	C26	110.9°	90.0°
N5	C25	C27	110.3°	90.0°
N5	C25	H32	109.0°	90.0°
C25	N5	C24	121.9°	90.0°
H31	N5	C24	119.1°	90.0°
C26	C25	C27	110.3°	90.0°
C26	C25	H32	108.1°	90.0°
C25	C26	O7	120.5°	90.0°
C25	C26	N6	116.2°	90.0°
C27	C25	H32	108.2°	90.0°
C25	C27	H33	109.5°	90.0°
C25	C27	H34	109.4°	90.0°
C25	C27	H35	109.5°	90.0°
O7	C26	N6	123.3°	90.0°
H33	C27	H34	109.5°	90.0°
H33	C27	H35	109.5°	90.0°
H34	C27	H35	109.5°	90.0°
C28	N6	H36	119.5°	90.0°
N6	C28	C29	111.6°	90.0°
N6	C28	C30	110.7°	90.0°
N6	C28	C59	104.9°	90.0°
C28	N6	C26	121.1°	90.0°
H36	N6	C26	119.4°	90.0°
C29	C28	C30	112.6°	90.0°
C28	C29	N7	127.0°	90.0°
C28	C29	S1	119.4°	90.0°
C29	C28	C59	111.5°	90.0°
C28	C30	H37	109.2°	90.0°
C28	C30	H38	109.2°	90.0°
C28	C30	C63	110.5°	90.0°
C30	C28	C59	105.2°	90.0°
H37	C30	H38	109.5°	90.0°
H37	C30	C63	109.2°	90.0°
H38	C30	C63	109.2°	90.0°
N7	C31	C32	123.2°	90.0°
N7	C31	C33	114.3°	90.0°
C31	N7	C29	112.5°	90.0°
C32	C31	C33	122.5°	90.0°
C31	C32	O8	124.6°	90.0°
C31	C32	N8	112.6°	90.0°
C31	C33	S1	108.4°	90.0°
C31	C33	H39	125.8°	90.0°
O8	C32	N8	122.8°	90.0°
S1	C33	H39	125.8°	90.0°
C33	S1	C29	91.2°	90.0°
C34	N8	H40	119.1°	90.0°
N8	C34	C35	111.0°	90.0°
N8	C34	C36	111.4°	90.0°
N8	C34	H41	108.9°	90.0°
C34	N8	C32	121.8°	90.0°
H40	N8	C32	119.1°	90.0°
C35	C34	C36	109.3°	90.0°
C35	C34	H41	108.1°	90.0°
C34	C35	O9	120.8°	90.0°
C34	C35	N9	116.2°	90.0°
C36	C34	H41	107.9°	90.0°
C34	C36	O10	110.1°	90.0°
C34	C36	C37	111.2°	90.0°
C34	C36	H42	108.0°	90.0°
O9	C35	N9	123.0°	90.0°
O10	C36	C37	109.7°	90.0°
O10	C36	H42	109.5°	90.0°
C36	O10	H43	109.5°	90.0°
C37	C36	H42	108.3°	90.0°
C36	C37	H44	109.5°	90.0°
C36	C37	H45	109.5°	90.0°
C36	C37	H46	109.4°	90.0°
H44	C37	H45	109.5°	90.0°
H44	C37	H46	109.5°	90.0°
H45	C37	H46	109.5°	90.0°
C38	N9	H47	117.4°	90.0°
N9	C38	C39	124.2°	90.0°
N9	C38	C41	115.3°	90.0°
C38	N9	C35	125.2°	90.0°
H47	N9	C35	117.4°	90.0°
C39	C38	C41	120.4°	90.0°
C38	C39	C40	123.0°	90.0°
C38	C39	H48	118.5°	90.0°
C38	C41	S2	121.6°	90.0°
C38	C41	N10	123.5°	90.0°
C40	C39	H48	118.5°	90.0°
C39	C40	H49	109.5°	90.0°
C39	C40	H50	109.5°	90.0°
C39	C40	H51	109.5°	90.0°
H49	C40	H50	109.5°	90.0°
H49	C40	H51	109.4°	90.0°
H50	C40	H51	109.5°	90.0°
N10	C42	C43	123.3°	90.0°
N10	C42	C44	114.3°	90.0°
C42	N10	C41	111.7°	90.0°
C43	C42	C44	122.4°	90.0°
C42	C43	O11	124.5°	90.0°
C42	C43	N11	112.8°	90.0°
C42	C44	S2	108.6°	90.0°
C42	C44	H52	125.7°	90.0°
O11	C43	N11	122.7°	90.0°
S2	C44	H52	125.7°	90.0°
C44	S2	C41	90.6°	90.0°
N11	C45	C46	109.7°	90.0°
N11	C45	C47	110.7°	90.0°
C45	N11	H53	119.2°	90.0°
N11	C45	H54	109.1°	90.0°
C45	N11	C43	121.7°	90.0°
C46	C45	C47	111.4°	90.0°
C46	C45	H54	108.1°	90.0°
C45	C46	S3	120.0°	90.0°
C45	C46	N12	125.4°	90.0°
C45	C47	O12	109.1°	90.0°
C45	C47	C48	110.9°	90.0°
C45	C47	C49	107.4°	90.0°
C47	C45	H54	107.7°	90.0°
O12	C47	C48	109.6°	90.0°
O12	C47	C49	109.2°	90.0°
C47	O12	H55	109.5°	90.0°
C48	C47	C49	110.6°	90.0°
C47	C48	H56	109.5°	90.0°
C47	C48	H57	109.5°	90.0°
C47	C48	H58	109.4°	90.0°
C47	C49	O13	106.3°	90.0°
C47	C49	C50	115.5°	90.0°
C47	C49	H59	107.8°	90.0°
O13	C49	C50	109.2°	90.0°
O13	C49	H59	109.6°	90.0°
C49	O13	H60	109.5°	90.0°
C50	C49	H59	108.4°	90.0°
C49	C50	H61	109.5°	90.0°
C49	C50	H62	109.5°	90.0°
C49	C50	H63	109.4°	90.0°
H53	N11	C43	119.1°	90.0°
H56	C48	H57	109.5°	90.0°
H56	C48	H58	109.5°	90.0°
H57	C48	H58	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°
N12	C51	C52	123.6°	90.0°
N12	C51	C53	114.2°	90.0°
C51	N12	C46	111.8°	90.0°
C52	C51	C53	122.2°	90.0°
C51	C52	O14	124.4°	90.0°
C51	C52	N13	113.0°	90.0°
C51	C53	S3	108.6°	90.0°
C51	C53	H64	125.7°	90.0°
O14	C52	N13	122.6°	90.0°
S3	C53	H64	125.7°	90.0°
C53	S3	C46	90.8°	90.0°
C54	N13	H65	119.2°	90.0°
N13	C54	C55	110.5°	90.0°
N13	C54	C56	111.4°	90.0°
N13	C54	H66	108.6°	90.0°
C54	N13	C52	121.6°	90.0°
H65	N13	C52	119.2°	90.0°
C55	C54	C56	110.9°	90.0°
C55	C54	H66	107.7°	90.0°
C54	C55	S4	120.4°	90.0°
C54	C55	N14	124.9°	90.0°
C56	C54	H66	107.5°	90.0°
C54	C56	O15	110.2°	90.0°
C54	C56	C57	111.2°	90.0°
C54	C56	H67	109.3°	90.0°
O15	C56	C57	106.4°	90.0°
O15	C56	H67	110.1°	90.0°
C56	O15	C1	118.5°	90.0°
C57	C56	H67	109.6°	90.0°
C56	C57	H68	109.5°	90.0°
C56	C57	H69	109.4°	90.0°
C56	C57	H70	109.5°	90.0°
H68	C57	H69	109.5°	90.0°
H68	C57	H70	109.5°	90.0°
H69	C57	H70	109.5°	90.0°
N14	C58	C59	119.3°	90.0°
N14	C58	C60	114.2°	90.0°
C58	N14	C55	111.9°	90.0°
C59	C58	C60	126.5°	90.0°
C58	C59	C28	115.0°	90.0°
C58	C59	N15	103.7°	90.0°
C58	C60	S4	108.5°	90.0°
C58	C60	H71	125.7°	90.0°
S4	C60	H71	125.7°	90.0°
C60	S4	C55	90.7°	90.0°
N15	C61	C62	115.6°	90.0°
N15	C61	C63	127.7°	90.0°
C61	N15	C59	120.0°	90.0°
C62	C61	C63	116.8°	90.0°
C61	C62	S5	121.3°	90.0°
C61	C62	N16	123.7°	90.0°
C61	C63	H72	108.7°	90.0°
C61	C63	H73	108.7°	90.0°
C61	C63	C30	112.3°	90.0°
H72	C63	H73	109.5°	90.0°
H72	C63	C30	108.7°	90.0°
H73	C63	C30	108.8°	90.0°
N16	C64	C65	123.7°	90.0°
N16	C64	C66	114.5°	90.0°
C64	N16	C62	111.5°	90.0°
C65	C64	C66	121.8°	90.0°
C64	C65	O16	124.1°	90.0°
C64	C65	N17	112.7°	90.0°
C64	C66	S5	108.6°	90.0°
C64	C66	H74	125.7°	90.0°
O16	C65	N17	123.2°	90.0°
S5	C66	H74	125.7°	90.0°
C66	S5	C62	90.4°	90.0°
C67	N17	H75	117.0°	90.0°
N17	C67	C68	125.7°	90.0°
N17	C67	C69	113.4°	90.0°
C67	N17	C65	126.0°	90.0°
H75	N17	C65	117.0°	90.0°
C68	C67	C69	120.9°	90.0°
C67	C68	H76	120.0°	90.0°
C67	C68	H77	120.0°	90.0°
C67	C69	O17	117.6°	90.0°
C67	C69	N18	119.2°	90.0°
H76	C68	H77	119.9°	90.0°
O17	C69	N18	123.1°	90.0°
H78	N18	H79	120.0°	90.0°
H78	N18	C69	120.0°	90.0°
H79	N18	C69	120.0°	90.0°
N7	C29	S1	113.6°	90.0°
C28	C59	N15	112.4°	90.0°
S2	C41	N10	114.8°	90.0°
S3	C46	N12	114.6°	90.0°
S4	C55	N14	114.7°	90.0°
S5	C62	N16	115.0°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	O15	179.8°	90.0°
O1	C1	C2	N1	178.1°	90.0°
O1	C1	C2	C3	2.1°	90.0°
O1	C1	O15	C56	6.1°	90.0°
C1	C2	N1	C3	179.8°	90.0°
C1	C2	N1	C4	179.9°	90.0°
C1	C2	C3	C5	179.8°	90.0°
C1	C2	C3	H1	0.2°	90.0°
C2	C1	O15	C56	173.7°	90.0°
N1	C2	C3	C5	0.0°	90.0°
N1	C2	C3	H1	180.0°	90.0°
C2	N1	C4	C6	179.9°	90.0°
C2	N1	C4	C7	0.1°	90.0°
N1	C2	C1	O15	2.1°	90.0°
C3	C2	N1	C4	0.1°	90.0°
C2	C3	C5	H1	180.0°	90.0°
C2	C3	C5	C7	0.0°	90.0°
C2	C3	C5	C9	180.0°	90.0°
C3	C2	C1	O15	177.7°	90.0°
N1	C4	C6	C7	180.0°	90.0°
N1	C4	C7	C5	0.1°	90.0°
N1	C4	C6	O2	87.5°	90.0°
N1	C4	C6	C8	151.0°	90.0°
N1	C4	C6	H2	32.2°	90.0°
N1	C4	C7	C10	179.7°	90.0°
C3	C5	C7	C4	0.0°	90.0°
C3	C5	C7	C9	180.0°	90.0°
C3	C5	C7	C10	179.8°	90.0°
C3	C5	C9	O3	23.3°	90.0°
C3	C5	C9	C11	97.7°	90.0°
C3	C5	C9	H5	143.8°	90.0°
H1	C3	C5	C7	180.0°	90.0°
H1	C3	C5	C9	0.0°	90.0°
C6	C4	C7	C5	180.0°	90.0°
C4	C6	O2	C8	123.2°	90.0°
C4	C6	O2	H2	119.0°	90.0°
C4	C6	C8	H2	119.0°	90.0°
C6	C4	C7	C10	0.2°	90.0°
C4	C6	O2	H3	180.0°	90.0°
C4	C6	C8	C12	41.1°	90.0°
C4	C6	C8	H4	160.8°	90.0°
C4	C6	C8	N2	78.1°	90.0°
C4	C7	C5	C10	179.8°	90.0°
C4	C7	C5	C9	179.9°	90.0°
C7	C4	C6	O2	92.6°	90.0°
C7	C4	C6	C8	29.0°	90.0°
C7	C4	C6	H2	147.7°	90.0°
C4	C7	C10	C12	16.1°	90.0°
C4	C7	C10	H7	164.0°	90.0°
C7	C5	C9	O3	156.7°	90.0°
C7	C5	C9	C11	82.3°	90.0°
C7	C5	C9	H5	36.2°	90.0°
C5	C7	C10	C12	163.7°	90.0°
C5	C7	C10	H7	16.2°	90.0°
C9	C5	C7	C10	0.3°	90.0°
C5	C9	O3	C11	121.6°	90.0°
C5	C9	O3	H5	119.8°	90.0°
C5	C9	C11	H5	118.5°	90.0°
C5	C9	O3	H6	180.0°	90.0°
C5	C9	C11	H8	180.0°	90.0°
C5	C9	C11	H9	60.0°	90.0°
C5	C9	C11	H10	60.0°	90.0°
O2	C6	C8	H2	118.9°	90.0°
O2	C6	C8	C12	81.0°	90.0°
O2	C6	C8	H4	38.7°	90.0°
O2	C6	C8	N2	159.7°	90.0°
C8	C6	O2	H3	56.8°	90.0°
C6	C8	C12	H4	119.5°	90.0°
C6	C8	C12	N2	122.4°	90.0°
C6	C8	H4	N2	122.6°	90.0°
C6	C8	C12	C10	29.1°	90.0°
C6	C8	C12	H11	150.9°	90.0°
C6	C8	N2	C13	69.4°	90.0°
C6	C8	N2	H12	51.2°	90.0°
H2	C6	O2	H3	61.0°	90.0°
H2	C6	C8	C12	160.1°	90.0°
H2	C6	C8	H4	80.2°	90.0°
H2	C6	C8	N2	40.9°	90.0°
C7	C10	C12	C8	0.1°	90.0°
C7	C10	C12	H7	180.0°	90.0°
C7	C10	C12	H11	179.9°	90.0°
C12	C8	H4	N2	116.4°	90.0°
C8	C12	C10	H11	180.0°	90.0°
C8	C12	C10	H7	179.9°	90.0°
C12	C8	N2	C13	169.0°	90.0°
C12	C8	N2	H12	70.5°	90.0°
H4	C8	C12	C10	148.7°	90.0°
H4	C8	C12	H11	31.3°	90.0°
H4	C8	N2	C13	51.2°	90.0°
H4	C8	N2	H12	171.7°	90.0°
O3	C9	C11	H5	119.4°	90.0°
O3	C9	C11	H8	57.9°	90.0°
O3	C9	C11	H9	62.1°	90.0°
O3	C9	C11	H10	177.9°	90.0°
C11	C9	O3	H6	58.5°	90.0°
C9	C11	H8	H9	120.0°	90.0°
C9	C11	H8	H10	120.0°	90.0°
C9	C11	H9	H10	120.0°	90.0°
H5	C9	O3	H6	60.2°	90.0°
H5	C9	C11	H8	61.5°	90.0°
H5	C9	C11	H9	178.5°	90.0°
H5	C9	C11	H10	58.5°	90.0°
C10	C12	C8	N2	93.2°	90.0°
H7	C10	C12	H11	0.1°	90.0°
H8	C11	H9	H10	119.9°	90.0°
H11	C12	C8	N2	86.8°	90.0°
C13	N2	H12	C8	123.4°	90.0°
N2	C13	C14	C15	123.3°	90.0°
N2	C13	C14	H13	119.2°	90.0°
N2	C13	C15	H13	119.2°	90.0°
N2	C13	C14	O4	157.8°	90.0°
N2	C13	C15	C16	48.7°	90.0°
N2	C13	C15	C17	74.0°	90.0°
N2	C13	C15	H14	167.4°	90.0°
N2	C13	C14	N3	22.1°	90.0°
H12	N2	C13	C14	1.8°	90.0°
H12	N2	C13	C15	123.9°	90.0°
H12	N2	C13	H13	117.2°	90.0°
C14	C13	C15	H13	117.6°	90.0°
C13	C14	O4	N3	180.0°	90.0°
C14	C13	C15	C16	74.5°	90.0°
C14	C13	C15	C17	162.8°	90.0°
C14	C13	C15	H14	44.2°	90.0°
C13	C14	N3	C19	178.7°	90.0°
C13	C14	N3	H23	1.3°	90.0°
C14	C13	N2	C8	122.3°	90.0°
C15	C13	C14	O4	78.8°	90.0°
C13	C15	C16	C17	122.4°	90.0°
C13	C15	C16	H14	118.6°	90.0°
C13	C15	C17	H14	118.5°	90.0°
C13	C15	C16	C18	170.6°	90.0°
C13	C15	C16	H15	68.8°	90.0°
C13	C15	C16	H16	50.0°	90.0°
C13	C15	C17	H17	180.0°	90.0°
C13	C15	C17	H18	60.0°	90.0°
C13	C15	C17	H19	60.0°	90.0°
C15	C13	N2	C8	115.5°	90.0°
C15	C13	C14	N3	101.2°	90.0°
H13	C13	C14	O4	38.6°	90.0°
H13	C13	C15	C16	168.0°	90.0°
H13	C13	C15	C17	45.2°	90.0°
H13	C13	C15	H14	73.4°	90.0°
H13	C13	N2	C8	3.3°	90.0°
H13	C13	C14	N3	141.4°	90.0°
O4	C14	N3	C19	1.3°	90.0°
O4	C14	N3	H23	178.8°	90.0°
C16	C15	C17	H14	118.9°	90.0°
C15	C16	C18	H15	120.6°	90.0°
C15	C16	C18	H16	120.6°	90.0°
C15	C16	H15	H16	118.0°	90.0°
C16	C15	C17	H17	57.4°	90.0°
C16	C15	C17	H18	177.4°	90.0°
C16	C15	C17	H19	62.6°	90.0°
C15	C16	C18	H20	180.0°	90.0°
C15	C16	C18	H21	60.0°	90.0°
C15	C16	C18	H22	60.0°	90.0°
C17	C15	C16	C18	67.1°	90.0°
C17	C15	C16	H15	53.6°	90.0°
C17	C15	C16	H16	172.3°	90.0°
C15	C17	H17	H18	120.0°	90.0°
C15	C17	H17	H19	120.0°	90.0°
C15	C17	H18	H19	120.0°	90.0°
H14	C15	C16	C18	52.0°	90.0°
H14	C15	C16	H15	172.6°	90.0°
H14	C15	C16	H16	68.6°	90.0°
H14	C15	C17	H17	61.5°	90.0°
H14	C15	C17	H18	58.5°	90.0°
H14	C15	C17	H19	178.5°	90.0°
C18	C16	H15	H16	118.0°	90.0°
C16	C18	H20	H21	120.0°	90.0°
C16	C18	H20	H22	120.0°	90.0°
C16	C18	H21	H22	120.0°	90.0°
H15	C16	C18	H20	59.4°	90.0°
H15	C16	C18	H21	179.4°	90.0°
H15	C16	C18	H22	60.6°	90.0°
H16	C16	C18	H20	59.4°	90.0°
H16	C16	C18	H21	60.6°	90.0°
H16	C16	C18	H22	179.4°	90.0°
H17	C17	H18	H19	120.0°	90.0°
H20	C18	H21	H22	119.9°	90.0°
C19	N3	H23	C14	180.0°	90.0°
N3	C19	C20	C21	122.6°	90.0°
N3	C19	C20	H24	119.4°	90.0°
N3	C19	C21	H24	119.1°	90.0°
N3	C19	C20	O5	69.8°	90.0°
N3	C19	C21	H25	180.0°	90.0°
N3	C19	C21	H26	60.0°	90.0°
N3	C19	C21	H27	60.0°	90.0°
N3	C19	C20	N4	110.5°	90.0°
H23	N3	C19	C20	21.7°	90.0°
H23	N3	C19	C21	100.8°	90.0°
H23	N3	C19	H24	140.6°	90.0°
C20	C19	C21	H24	118.0°	90.0°
C19	C20	O5	N4	179.7°	90.0°
C20	C19	C21	H25	57.2°	90.0°
C20	C19	C21	H26	177.2°	90.0°
C20	C19	C21	H27	62.8°	90.0°
C19	C20	N4	C22	176.8°	90.0°
C19	C20	N4	H28	3.2°	90.0°
C20	C19	N3	C14	158.3°	90.0°
C21	C19	C20	O5	52.7°	90.0°
C19	C21	H25	H26	120.0°	90.0°
C19	C21	H25	H27	120.0°	90.0°
C19	C21	H26	H27	120.0°	90.0°
C21	C19	C20	N4	126.9°	90.0°
C21	C19	N3	C14	79.2°	90.0°
H24	C19	C20	O5	170.8°	90.0°
H24	C19	C21	H25	60.9°	90.0°
H24	C19	C21	H26	59.1°	90.0°
H24	C19	C21	H27	179.1°	90.0°
H24	C19	C20	N4	8.9°	90.0°
H24	C19	N3	C14	39.4°	90.0°
O5	C20	N4	C22	3.5°	90.0°
O5	C20	N4	H28	176.5°	90.0°
H25	C21	H26	H27	120.0°	90.0°
C22	N4	H28	C20	180.0°	90.0°
N4	C22	C23	C24	179.9°	90.0°
N4	C22	C23	H29	179.9°	90.0°
N4	C22	C23	H30	0.1°	90.0°
N4	C22	C24	O6	0.3°	90.0°
N4	C22	C24	N5	179.2°	90.0°
H28	N4	C22	C23	177.4°	90.0°
H28	N4	C22	C24	2.5°	90.0°
C22	C23	H29	H30	180.0°	90.0°
C23	C22	C24	O6	179.8°	90.0°
C23	C22	N4	C20	2.6°	90.0°
C23	C22	C24	N5	0.7°	90.0°
C24	C22	C23	H29	0.0°	90.0°
C24	C22	C23	H30	180.0°	90.0°
C22	C24	O6	N5	179.4°	90.0°
C22	C24	N5	C25	177.4°	90.0°
C22	C24	N5	H31	2.7°	90.0°
C24	C22	N4	C20	177.5°	90.0°
O6	C24	N5	C25	2.1°	90.0°
O6	C24	N5	H31	177.9°	90.0°
C25	N5	H31	C24	180.0°	90.0°
N5	C25	C26	C27	122.5°	90.0°
N5	C25	C26	H32	119.4°	90.0°
N5	C25	C27	H32	119.1°	90.0°
N5	C25	C26	O7	49.1°	90.0°
N5	C25	C27	H33	180.0°	90.0°
N5	C25	C27	H34	60.0°	90.0°
N5	C25	C27	H35	60.0°	90.0°
N5	C25	C26	N6	130.8°	90.0°
H31	N5	C25	C26	56.1°	90.0°
H31	N5	C25	C27	66.4°	90.0°
H31	N5	C25	H32	174.9°	90.0°
C26	C25	C27	H32	118.0°	90.0°
C25	C26	O7	N6	179.9°	90.0°
C26	C25	C27	H33	57.1°	90.0°
C26	C25	C27	H34	177.1°	90.0°
C26	C25	C27	H35	62.9°	90.0°
C25	C26	N6	C28	179.7°	90.0°
C25	C26	N6	H36	0.3°	90.0°
C26	C25	N5	C24	124.0°	90.0°
C27	C25	C26	O7	73.4°	90.0°
C25	C27	H33	H34	120.0°	90.0°
C25	C27	H33	H35	120.0°	90.0°
C25	C27	H34	H35	120.0°	90.0°
C27	C25	N5	C24	113.5°	90.0°
C27	C25	C26	N6	106.7°	90.0°
H32	C25	C26	O7	168.5°	90.0°
H32	C25	C27	H33	60.9°	90.0°
H32	C25	C27	H34	59.1°	90.0°
H32	C25	C27	H35	179.1°	90.0°
H32	C25	N5	C24	5.1°	90.0°
H32	C25	C26	N6	11.4°	90.0°
O7	C26	N6	C28	0.2°	90.0°
O7	C26	N6	H36	179.8°	90.0°
H33	C27	H34	H35	120.0°	90.0°
C28	N6	H36	C26	180.0°	90.0°
N6	C28	C29	C30	125.2°	90.0°
N6	C28	C29	C59	116.9°	90.0°
N6	C28	C30	C59	112.7°	90.0°
N6	C28	C30	H37	69.3°	90.0°
N6	C28	C30	H38	171.0°	90.0°
N6	C28	C59	C58	56.6°	90.0°
N6	C28	C30	C63	50.9°	90.0°
N6	C28	C29	N7	84.0°	90.0°
N6	C28	C29	S1	96.0°	90.0°
N6	C28	C59	N15	61.8°	90.0°
H36	N6	C28	C29	114.5°	90.0°
H36	N6	C28	C30	119.3°	90.0°
H36	N6	C28	C59	6.4°	90.0°
C29	C28	C30	C59	121.6°	90.0°
C29	C28	C30	H37	56.4°	90.0°
C29	C28	C30	H38	63.3°	90.0°
C28	C29	N7	C31	180.0°	90.0°
C28	C29	S1	C33	180.0°	90.0°
C29	C28	C59	C58	64.4°	90.0°
C29	C28	C30	C63	176.5°	90.0°
C28	C29	N7	S1	180.0°	90.0°
C29	C28	C59	N15	177.3°	90.0°
C29	C28	N6	C26	65.6°	90.0°
C28	C30	H37	H38	119.5°	90.0°
C28	C30	H37	C63	120.9°	90.0°
C28	C30	H38	C63	120.9°	90.0°
C30	C28	C59	C58	173.3°	90.0°
C28	C30	C63	C61	39.4°	90.0°
C28	C30	C63	H72	159.8°	90.0°
C28	C30	C63	H73	81.1°	90.0°
C30	C28	C29	N7	150.8°	90.0°
C30	C28	C29	S1	29.1°	90.0°
C30	C28	C59	N15	55.0°	90.0°
C30	C28	N6	C26	60.6°	90.0°
H37	C30	H38	C63	119.6°	90.0°
H37	C30	C63	C61	159.5°	90.0°
H37	C30	C63	H72	80.1°	90.0°
H37	C30	C63	H73	39.1°	90.0°
H37	C30	C28	C59	178.0°	90.0°
H38	C30	C63	C61	80.8°	90.0°
H38	C30	C63	H72	39.6°	90.0°
H38	C30	C63	H73	158.8°	90.0°
H38	C30	C28	C59	58.3°	90.0°
N7	C31	C32	C33	179.9°	90.0°
N7	C31	C32	O8	179.8°	90.0°
N7	C31	C33	S1	0.1°	90.0°
N7	C31	C33	H39	179.9°	90.0°
C31	N7	C29	S1	0.1°	90.0°
N7	C31	C32	N8	0.2°	90.0°
C31	C32	O8	N8	180.0°	90.0°
C32	C31	C33	S1	180.0°	90.0°
C32	C31	C33	H39	0.0°	90.0°
C31	C32	N8	C34	179.3°	90.0°
C31	C32	N8	H40	0.7°	90.0°
C32	C31	N7	C29	180.0°	90.0°
C33	C31	C32	O8	0.3°	90.0°
C31	C33	S1	H39	180.0°	90.0°
C33	C31	N7	C29	0.1°	90.0°
C31	C33	S1	C29	0.0°	90.0°
C33	C31	C32	N8	179.7°	90.0°
O8	C32	N8	C34	0.6°	90.0°
O8	C32	N8	H40	179.4°	90.0°
C33	S1	C29	N7	0.0°	90.0°
H39	C33	S1	C29	180.0°	90.0°
C34	N8	H40	C32	180.0°	90.0°
N8	C34	C35	C36	123.3°	90.0°
N8	C34	C35	H41	119.4°	90.0°
N8	C34	C36	H41	119.5°	90.0°
N8	C34	C35	O9	13.1°	90.0°
N8	C34	C36	O10	176.5°	90.0°
N8	C34	C36	C37	54.7°	90.0°
N8	C34	C36	H42	64.0°	90.0°
N8	C34	C35	N9	166.6°	90.0°
H40	N8	C34	C35	51.5°	90.0°
H40	N8	C34	C36	70.7°	90.0°
H40	N8	C34	H41	170.4°	90.0°
C35	C34	C36	H41	117.4°	90.0°
C34	C35	O9	N9	179.8°	90.0°
C35	C34	C36	O10	53.4°	90.0°
C35	C34	C36	C37	68.4°	90.0°
C35	C34	C36	H42	172.9°	90.0°
C34	C35	N9	C38	178.8°	90.0°
C34	C35	N9	H47	1.2°	90.0°
C35	C34	N8	C32	128.5°	90.0°
C36	C34	C35	O9	110.2°	90.0°
C34	C36	O10	C37	122.7°	90.0°
C34	C36	O10	H42	118.6°	90.0°
C34	C36	C37	H42	118.6°	90.0°
C34	C36	O10	H43	180.0°	90.0°
C34	C36	C37	H44	180.0°	90.0°
C34	C36	C37	H45	60.0°	90.0°
C34	C36	C37	H46	60.0°	90.0°
C36	C34	N8	C32	109.3°	90.0°
C36	C34	C35	N9	70.0°	90.0°
H41	C34	C35	O9	132.6°	90.0°
H41	C34	C36	O10	64.0°	90.0°
H41	C34	C36	C37	174.2°	90.0°
H41	C34	C36	H42	55.5°	90.0°
H41	C34	N8	C32	9.6°	90.0°
H41	C34	C35	N9	47.2°	90.0°
O9	C35	N9	C38	1.0°	90.0°
O9	C35	N9	H47	179.0°	90.0°
O10	C36	C37	H42	119.4°	90.0°
O10	C36	C37	H44	58.0°	90.0°
O10	C36	C37	H45	178.0°	90.0°
O10	C36	C37	H46	62.0°	90.0°
C37	C36	O10	H43	57.3°	90.0°
C36	C37	H44	H45	120.0°	90.0°
C36	C37	H44	H46	120.0°	90.0°
C36	C37	H45	H46	120.0°	90.0°
H42	C36	O10	H43	61.4°	90.0°
H42	C36	C37	H44	61.5°	90.0°
H42	C36	C37	H45	58.6°	90.0°
H42	C36	C37	H46	178.5°	90.0°
H44	C37	H45	H46	120.0°	90.0°
C38	N9	H47	C35	180.0°	90.0°
N9	C38	C39	C41	180.0°	90.0°
N9	C38	C39	C40	0.1°	90.0°
N9	C38	C39	H48	179.9°	90.0°
N9	C38	C41	S2	179.2°	90.0°
N9	C38	C41	N10	0.8°	90.0°
H47	N9	C38	C39	93.9°	90.0°
H47	N9	C38	C41	86.2°	90.0°
C38	C39	C40	H48	180.0°	90.0°
C38	C39	C40	H49	180.0°	90.0°
C38	C39	C40	H50	60.0°	90.0°
C38	C39	C40	H51	60.0°	90.0°
C39	C38	N9	C35	86.1°	90.0°
C39	C38	C41	S2	0.8°	90.0°
C39	C38	C41	N10	179.3°	90.0°
C41	C38	C39	C40	180.0°	90.0°
C41	C38	C39	H48	0.0°	90.0°
C38	C41	N10	C42	179.9°	90.0°
C38	C41	S2	C44	180.0°	90.0°
C41	C38	N9	C35	93.8°	90.0°
C38	C41	S2	N10	180.0°	90.0°
C39	C40	H49	H50	120.0°	90.0°
C39	C40	H49	H51	120.0°	90.0°
C39	C40	H50	H51	120.0°	90.0°
H48	C39	C40	H49	0.0°	90.0°
H48	C39	C40	H50	120.0°	90.0°
H48	C39	C40	H51	120.0°	90.0°
H49	C40	H50	H51	120.0°	90.0°
N10	C42	C43	C44	179.9°	90.0°
N10	C42	C43	O11	179.8°	90.0°
N10	C42	C44	S2	0.0°	90.0°
N10	C42	C44	H52	179.9°	90.0°
C42	N10	C41	S2	0.0°	90.0°
N10	C42	C43	N11	0.3°	90.0°
C42	C43	O11	N11	179.8°	90.0°
C43	C42	C44	S2	180.0°	90.0°
C43	C42	C44	H52	0.0°	90.0°
C42	C43	N11	C45	179.7°	90.0°
C42	C43	N11	H53	0.2°	90.0°
C43	C42	N10	C41	180.0°	90.0°
C44	C42	C43	O11	0.3°	90.0°
C42	C44	S2	H52	180.0°	90.0°
C42	C44	S2	C41	0.0°	90.0°
C44	C42	N10	C41	0.0°	90.0°
C44	C42	C43	N11	179.6°	90.0°
O11	C43	N11	C45	0.1°	90.0°
O11	C43	N11	H53	179.9°	90.0°
C44	S2	C41	N10	0.0°	90.0°
H52	C44	S2	C41	180.0°	90.0°
N11	C45	C46	C47	123.0°	90.0°
N11	C45	C46	H54	118.9°	90.0°
N11	C45	C47	H54	119.2°	90.0°
N11	C45	C47	O12	58.8°	90.0°
N11	C45	C47	C48	179.6°	90.0°
N11	C45	C47	C49	59.4°	90.0°
C45	N11	H53	C43	180.0°	90.0°
N11	C45	C46	S3	121.9°	90.0°
N11	C45	C46	N12	58.2°	90.0°
C46	C45	C47	H54	118.4°	90.0°
C46	C45	C47	O12	63.6°	90.0°
C46	C45	C47	C48	57.2°	90.0°
C46	C45	C47	C49	178.2°	90.0°
C46	C45	N11	H53	89.9°	90.0°
C45	C46	N12	C51	180.0°	90.0°
C45	C46	S3	C53	180.0°	90.0°
C46	C45	N11	C43	90.1°	90.0°
C45	C46	S3	N12	179.9°	90.0°
C45	C47	O12	C48	121.6°	90.0°
C45	C47	O12	C49	117.1°	90.0°
C45	C47	C48	C49	119.0°	90.0°
C45	C47	C49	O13	71.4°	90.0°
C45	C47	C49	C50	167.3°	90.0°
C47	C45	N11	H53	33.5°	90.0°
C45	C47	O12	H55	180.0°	90.0°
C45	C47	C48	H56	180.0°	90.0°
C45	C47	C48	H57	60.0°	90.0°
C45	C47	C48	H58	60.0°	90.0°
C45	C47	C49	H59	46.0°	90.0°
C47	C45	N11	C43	146.5°	90.0°
C47	C45	C46	S3	115.1°	90.0°
C47	C45	C46	N12	64.8°	90.0°
O12	C47	C48	C49	120.5°	90.0°
O12	C47	C49	O13	170.5°	90.0°
O12	C47	C49	C50	49.2°	90.0°
O12	C47	C45	H54	178.0°	90.0°
O12	C47	C48	H56	59.5°	90.0°
O12	C47	C48	H57	60.5°	90.0°
O12	C47	C48	H58	179.5°	90.0°
O12	C47	C49	H59	72.1°	90.0°
C48	C47	C49	O13	49.8°	90.0°
C48	C47	C49	C50	71.5°	90.0°
C48	C47	C45	H54	61.2°	90.0°
C48	C47	O12	H55	58.4°	90.0°
C47	C48	H56	H57	120.0°	90.0°
C47	C48	H56	H58	120.0°	90.0°
C47	C48	H57	H58	119.9°	90.0°
C48	C47	C49	H59	167.2°	90.0°
C47	C49	O13	C50	125.2°	90.0°
C47	C49	O13	H59	116.2°	90.0°
C47	C49	C50	H59	121.0°	90.0°
C49	C47	C45	H54	59.8°	90.0°
C49	C47	O12	H55	62.9°	90.0°
C49	C47	C48	H56	61.0°	90.0°
C49	C47	C48	H57	179.0°	90.0°
C49	C47	C48	H58	59.0°	90.0°
C47	C49	O13	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°
O13	C49	C50	H59	119.3°	90.0°
O13	C49	C50	H61	60.3°	90.0°
O13	C49	C50	H62	179.7°	90.0°
O13	C49	C50	H63	59.7°	90.0°
C50	C49	O13	H60	54.8°	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°
H53	N11	C45	H54	151.8°	90.0°
H54	C45	N11	C43	28.2°	90.0°
H54	C45	C46	S3	3.0°	90.0°
H54	C45	C46	N12	177.0°	90.0°
H56	C48	H57	H58	120.0°	90.0°
H59	C49	O13	H60	63.8°	90.0°
H59	C49	C50	H61	59.0°	90.0°
H59	C49	C50	H62	61.0°	90.0°
H59	C49	C50	H63	179.0°	90.0°
H61	C50	H62	H63	120.0°	90.0°
N12	C51	C52	C53	179.9°	90.0°
N12	C51	C52	O14	180.0°	90.0°
N12	C51	C53	S3	0.0°	90.0°
N12	C51	C53	H64	180.0°	90.0°
C51	N12	C46	S3	0.1°	90.0°
N12	C51	C52	N13	0.0°	90.0°
C51	C52	O14	N13	179.9°	90.0°
C52	C51	C53	S3	179.9°	90.0°
C52	C51	C53	H64	0.1°	90.0°
C51	C52	N13	C54	179.5°	90.0°
C51	C52	N13	H65	0.5°	90.0°
C52	C51	N12	C46	180.0°	90.0°
C53	C51	C52	O14	0.1°	90.0°
C51	C53	S3	H64	180.0°	90.0°
C51	C53	S3	C46	0.0°	90.0°
C53	C51	N12	C46	0.1°	90.0°
C53	C51	C52	N13	179.8°	90.0°
O14	C52	N13	C54	0.4°	90.0°
O14	C52	N13	H65	179.6°	90.0°
C53	S3	C46	N12	0.0°	90.0°
H64	C53	S3	C46	180.0°	90.0°
C54	N13	H65	C52	180.0°	90.0°
N13	C54	C55	C56	124.1°	90.0°
N13	C54	C55	H66	118.5°	90.0°
N13	C54	C56	H66	118.8°	90.0°
N13	C54	C56	O15	53.1°	90.0°
N13	C54	C56	C57	64.7°	90.0°
N13	C54	C56	H67	174.2°	90.0°
N13	C54	C55	S4	4.6°	90.0°
N13	C54	C55	N14	175.5°	90.0°
H65	N13	C54	C55	49.6°	90.0°
H65	N13	C54	C56	74.2°	90.0°
H65	N13	C54	H66	167.6°	90.0°
C55	C54	C56	H66	117.6°	90.0°
C55	C54	C56	O15	70.5°	90.0°
C55	C54	C56	C57	171.7°	90.0°
C55	C54	C56	H67	50.6°	90.0°
C54	C55	N14	C58	179.9°	90.0°
C54	C55	S4	C60	179.9°	90.0°
C55	C54	N13	C52	130.4°	90.0°
C54	C55	S4	N14	179.9°	90.0°
C54	C56	O15	C57	120.7°	90.0°
C54	C56	O15	H67	120.6°	90.0°
C54	C56	C57	H67	121.0°	90.0°
C54	C56	C57	H68	180.0°	90.0°
C54	C56	C57	H69	60.0°	90.0°
C54	C56	C57	H70	60.0°	90.0°
C54	C56	O15	C1	103.3°	90.0°
C56	C54	N13	C52	105.8°	90.0°
C56	C54	C55	S4	128.6°	90.0°
C56	C54	C55	N14	51.5°	90.0°
H66	C54	C56	O15	171.9°	90.0°
H66	C54	C56	C57	54.1°	90.0°
H66	C54	C56	H67	67.0°	90.0°
H66	C54	N13	C52	12.4°	90.0°
H66	C54	C55	S4	113.9°	90.0°
H66	C54	C55	N14	66.0°	90.0°
O15	C56	C57	H67	119.0°	90.0°
O15	C56	C57	H68	60.0°	90.0°
O15	C56	C57	H69	180.0°	90.0°
O15	C56	C57	H70	60.0°	90.0°
C56	C57	H68	H69	120.0°	90.0°
C56	C57	H68	H70	120.0°	90.0°
C56	C57	H69	H70	120.0°	90.0°
C57	C56	O15	C1	136.0°	90.0°
H67	C56	C57	H68	59.0°	90.0°
H67	C56	C57	H69	61.0°	90.0°
H67	C56	C57	H70	179.0°	90.0°
H67	C56	O15	C1	17.3°	90.0°
H68	C57	H69	H70	120.0°	90.0°
N14	C58	C59	C60	179.9°	90.0°
N14	C58	C60	S4	0.0°	90.0°
N14	C58	C60	H71	180.0°	90.0°
N14	C58	C59	C28	63.2°	90.0°
C58	N14	C55	S4	0.0°	90.0°
N14	C58	C59	N15	59.9°	90.0°
C59	C58	C60	S4	179.9°	90.0°
C59	C58	C60	H71	0.1°	90.0°
C58	C59	N15	C61	150.5°	90.0°
C58	C59	C28	N15	118.3°	90.0°
C59	C58	N14	C55	179.9°	90.0°
C58	C60	S4	H71	180.0°	90.0°
C60	C58	C59	C28	116.8°	90.0°
C58	C60	S4	C55	0.0°	90.0°
C60	C58	N14	C55	0.0°	90.0°
C60	C58	C59	N15	120.1°	90.0°
C60	S4	C55	N14	0.0°	90.0°
H71	C60	S4	C55	180.0°	90.0°
N15	C61	C62	C63	179.9°	90.0°
N15	C61	C63	H72	127.5°	90.0°
N15	C61	C63	H73	113.3°	90.0°
N15	C61	C63	C30	7.1°	90.0°
C61	N15	C59	C28	25.7°	90.0°
N15	C61	C62	S5	0.2°	90.0°
N15	C61	C62	N16	179.8°	90.0°
C62	C61	C63	H72	52.6°	90.0°
C62	C61	C63	H73	66.5°	90.0°
C61	C62	N16	C64	180.0°	90.0°
C61	C62	S5	C66	180.0°	90.0°
C62	C61	C63	C30	173.0°	90.0°
C62	C61	N15	C59	180.0°	90.0°
C61	C62	S5	N16	180.0°	90.0°
C61	C63	H72	H73	118.7°	90.0°
C61	C63	H72	C30	122.6°	90.0°
C61	C63	H73	C30	122.6°	90.0°
C63	C61	N15	C59	0.1°	90.0°
C63	C61	C62	S5	179.9°	90.0°
C63	C61	C62	N16	0.1°	90.0°
H72	C63	H73	C30	118.7°	90.0°
N16	C64	C65	C66	180.0°	90.0°
N16	C64	C65	O16	179.7°	90.0°
N16	C64	C66	S5	0.0°	90.0°
N16	C64	C66	H74	180.0°	90.0°
C64	N16	C62	S5	0.0°	90.0°
N16	C64	C65	N17	0.2°	90.0°
C64	C65	O16	N17	180.0°	90.0°
C65	C64	C66	S5	180.0°	90.0°
C65	C64	C66	H74	0.0°	90.0°
C64	C65	N17	C67	179.4°	90.0°
C64	C65	N17	H75	0.6°	90.0°
C65	C64	N16	C62	180.0°	90.0°
C66	C64	C65	O16	0.2°	90.0°
C64	C66	S5	H74	180.0°	90.0°
C64	C66	S5	C62	0.0°	90.0°
C66	C64	N16	C62	0.0°	90.0°
C66	C64	C65	N17	179.8°	90.0°
O16	C65	N17	C67	0.6°	90.0°
O16	C65	N17	H75	179.4°	90.0°
C66	S5	C62	N16	0.0°	90.0°
H74	C66	S5	C62	180.0°	90.0°
C67	N17	H75	C65	180.0°	90.0°
N17	C67	C68	C69	180.0°	90.0°
N17	C67	C68	H76	180.0°	90.0°
N17	C67	C68	H77	0.0°	90.0°
N17	C67	C69	O17	0.1°	90.0°
N17	C67	C69	N18	180.0°	90.0°
H75	N17	C67	C68	178.7°	90.0°
H75	N17	C67	C69	1.3°	90.0°
C67	C68	H76	H77	180.0°	90.0°
C68	C67	C69	O17	179.9°	90.0°
C68	C67	N17	C65	1.3°	90.0°
C68	C67	C69	N18	0.0°	90.0°
C69	C67	C68	H76	0.0°	90.0°
C69	C67	C68	H77	180.0°	90.0°
C67	C69	O17	N18	179.9°	90.0°
C67	C69	N18	H78	179.9°	90.0°
C67	C69	N18	H79	0.1°	90.0°
C69	C67	N17	C65	178.7°	90.0°
O17	C69	N18	H78	0.0°	90.0°
O17	C69	N18	H79	180.0°	90.0°
H78	N18	H79	C69	180.0°	90.0°
C63	C30	C28	C59	61.8°	90.0°
N7	C29	C28	C59	32.9°	90.0°
S1	C29	C28	C59	147.0°	90.0°
C59	C28	N6	C26	173.6°	90.0°

Release date:	2012-12-12
Last modified:	2023-09-20
Processing site:	PDBE