PRD_000759

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	1.40Å	Aromatic
C3	H1	sing	0.00Å	1.08Å
C4	C6	sing	0.00Å	1.53Å
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	1.48Å
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	1.29Å
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	1.48Å
N2	H12	sing	0.00Å	1.00Å
C13	C14	sing	0.00Å	1.53Å
C13	C15	sing	0.00Å	1.55Å
C13	H13	sing	0.00Å	1.10Å
C14	O4	doub	0.00Å	1.23Å
C15	C16	sing	0.00Å	1.55Å
C15	C17	sing	0.00Å	1.52Å
C15	H14	sing	0.00Å	1.10Å
C16	C18	sing	0.00Å	1.52Å
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	1.52Å
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	1.46Å
N4	H28	sing	0.00Å	1.00Å
C22	C23	doub	0.00Å	1.32Å
C22	C24	sing	0.00Å	1.44Å
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	1.45Å
N5	H31	sing	0.00Å	1.00Å
C25	C26	sing	0.00Å	1.52Å
C25	C27	sing	0.00Å	1.51Å
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	1.56Å
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	1.52Å
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	1.46Å
N9	H47	sing	0.00Å	1.00Å
C38	C39	doub	0.00Å	1.32Å
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	1.46Å
C42	C43	sing	0.00Å	1.51Å
C42	C44	sing	0.00Å	1.53Å
C42	H52	sing	0.00Å	1.10Å
C43	O11	doub	0.00Å	1.23Å
C44	S2	sing	0.00Å	1.80Å
C44	H53	sing	0.00Å	1.10Å
C44	H54	sing	0.00Å	1.10Å
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	H55	sing	0.00Å	1.00Å
C45	H56	sing	0.00Å	1.10Å
O12	H57	sing	0.00Å	0.95Å
C48	H58	sing	0.00Å	1.10Å
C48	H59	sing	0.00Å	1.10Å
C48	H60	sing	0.00Å	1.10Å
C49	H61	sing	0.00Å	1.10Å
O13	H62	sing	0.00Å	0.95Å
C50	H63	sing	0.00Å	1.10Å
C50	H64	sing	0.00Å	1.10Å
C50	H65	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	H66	sing	0.00Å	1.08Å
N13	C54	sing	0.00Å	1.46Å
N13	H67	sing	0.00Å	1.00Å
C54	C55	sing	0.00Å	1.53Å
C54	C56	sing	0.00Å	1.54Å
C54	H68	sing	0.00Å	1.10Å
C56	O15	sing	0.00Å	1.48Å
C56	C57	sing	0.00Å	1.52Å
C56	H69	sing	0.00Å	1.10Å
C57	H70	sing	0.00Å	1.10Å
C57	H71	sing	0.00Å	1.10Å
C57	H72	sing	0.00Å	1.10Å
N14	C58	sing	0.00Å	1.35Å
C58	C59	sing	0.00Å	1.51Å
C58	C60	doub	0.00Å	1.43Å
C60	S4	sing	0.00Å	1.68Å
C60	H73	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	H74	sing	0.00Å	1.10Å
C63	H75	sing	0.00Å	1.10Å
N16	C64	sing	0.00Å	1.35Å
C64	C65	sing	0.00Å	1.45Å
C64	C66	doub	0.00Å	1.43Å
C65	O16	doub	0.00Å	1.23Å
C66	S5	sing	0.00Å	1.69Å
C66	H76	sing	0.00Å	1.08Å
N17	C67	sing	0.00Å	1.47Å
N17	H77	sing	0.00Å	1.00Å
C67	C68	doub	0.00Å	1.33Å
C67	C69	sing	0.00Å	1.46Å
C68	H78	sing	0.00Å	1.08Å
C68	H79	sing	0.00Å	1.08Å
C69	O17	doub	0.00Å	1.23Å
N18	H80	sing	0.00Å	1.00Å
N18	H81	sing	0.00Å	1.00Å
C1	O15	sing	0.00Å	1.33Å
C8	N2	sing	0.00Å	1.49Å
C20	N4	sing	0.00Å	1.33Å
C24	N5	sing	0.00Å	1.32Å
C30	C63	sing	0.00Å	1.53Å
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	1.32Å
C41	S2	sing	0.00Å	1.73Å
C41	N10	doub	0.00Å	1.30Å
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	1.30Å
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	1.34Å
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	125.4°	90.0°
C1	C2	N1	119.4°	90.0°
C1	C2	C3	117.2°	90.0°
C2	C1	O15	111.4°	90.0°
N1	C2	C3	123.4°	90.0°
C2	N1	C4	116.2°	90.0°
C2	C3	C5	119.0°	90.0°
C2	C3	H1	120.5°	90.0°
N1	C4	C6	116.0°	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	120.2°	90.0°
C6	C4	C7	119.7°	90.0°
C4	C6	O2	110.8°	90.0°
C4	C6	C8	110.3°	90.0°
C4	C6	H2	108.4°	90.0°
C4	C7	C5	118.2°	90.0°
C4	C7	C10	119.0°	90.0°
C7	C5	C9	121.0°	90.0°
C5	C7	C10	122.7°	90.0°
C5	C9	O3	111.2°	90.0°
C5	C9	C11	109.5°	90.0°
C5	C9	H5	108.5°	90.0°
O2	C6	C8	109.5°	90.0°
O2	C6	H2	109.7°	90.0°
C6	O2	H3	109.5°	90.0°
C8	C6	H2	108.1°	90.0°
C6	C8	C12	110.4°	90.0°
C6	C8	H4	109.5°	90.0°
C6	C8	N2	111.6°	90.0°
C7	C10	C12	121.5°	90.0°
C7	C10	H7	119.3°	90.0°
C12	C8	H4	109.9°	90.0°
C8	C12	C10	121.2°	90.0°
C8	C12	H11	119.4°	90.0°
C12	C8	N2	105.1°	90.0°
H4	C8	N2	110.3°	90.0°
O3	C9	C11	109.4°	90.0°
O3	C9	H5	109.7°	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	119.3°	90.0°
C10	C12	H11	119.4°	90.0°
H8	C11	H9	109.5°	90.0°
H8	C11	H10	109.4°	90.0°
H9	C11	H10	109.5°	90.0°
C13	N2	H12	108.2°	90.0°
N2	C13	C14	110.9°	90.0°
N2	C13	C15	111.2°	90.0°
N2	C13	H13	108.9°	90.0°
C13	N2	C8	114.3°	90.0°
H12	N2	C8	108.3°	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	115.7°	90.0°
C15	C13	H13	108.1°	90.0°
C13	C15	C16	112.0°	90.0°
C13	C15	C17	110.2°	90.0°
C13	C15	H14	107.8°	90.0°
O4	C14	N3	123.3°	90.0°
C16	C15	C17	110.8°	90.0°
C16	C15	H14	107.8°	90.0°
C15	C16	C18	115.3°	90.0°
C15	C16	H15	108.0°	90.0°
C15	C16	H16	108.0°	90.0°
C17	C15	H14	108.1°	90.0°
C15	C17	H17	109.5°	90.0°
C15	C17	H18	109.5°	90.0°
C15	C17	H19	109.5°	90.0°
C18	C16	H15	108.0°	90.0°
C18	C16	H16	108.0°	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	109.4°	90.0°
H17	C17	H18	109.4°	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	109.5°	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	122.1°	90.0°
H23	N3	C14	119.0°	90.0°
C20	C19	C21	110.3°	90.0°
C20	C19	H24	108.2°	90.0°
C19	C20	O5	120.6°	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	109.5°	90.0°
C19	C21	H27	109.5°	90.0°
O5	C20	N4	123.4°	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	126.3°	90.0°
N4	C22	C24	111.9°	90.0°
C22	N4	C20	126.4°	90.0°
H28	N4	C20	116.8°	90.0°
C23	C22	C24	121.8°	90.0°
C22	C23	H29	120.0°	90.0°
C22	C23	H30	120.0°	90.0°
C22	C24	O6	117.0°	90.0°
C22	C24	N5	120.0°	90.0°
H29	C23	H30	120.0°	90.0°
O6	C24	N5	123.0°	90.0°
C25	N5	H31	119.4°	90.0°
N5	C25	C26	110.8°	90.0°
N5	C25	C27	109.7°	90.0°
N5	C25	H32	108.9°	90.0°
C25	N5	C24	121.2°	90.0°
H31	N5	C24	119.4°	90.0°
C26	C25	C27	111.2°	90.0°
C26	C25	H32	108.0°	90.0°
C25	C26	O7	120.6°	90.0°
C25	C26	N6	116.0°	90.0°
C27	C25	H32	108.1°	90.0°
C25	C27	H33	109.5°	90.0°
C25	C27	H34	109.5°	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	109.4°	90.0°
H34	C27	H35	109.5°	90.0°
C28	N6	H36	119.5°	90.0°
N6	C28	C29	111.0°	90.0°
N6	C28	C30	110.8°	90.0°
N6	C28	C59	105.2°	90.0°
C28	N6	C26	121.1°	90.0°
H36	N6	C26	119.5°	90.0°
C29	C28	C30	112.9°	90.0°
C28	C29	N7	126.8°	90.0°
C28	C29	S1	119.6°	90.0°
C29	C28	C59	112.2°	90.0°
C28	C30	H37	109.2°	90.0°
C28	C30	H38	109.2°	90.0°
C28	C30	C63	110.4°	90.0°
C30	C28	C59	104.4°	90.0°
H37	C30	H38	109.5°	90.0°
H37	C30	C63	109.2°	90.0°
H38	C30	C63	109.3°	90.0°
N7	C31	C32	123.3°	90.0°
N7	C31	C33	114.2°	90.0°
C31	N7	C29	112.5°	90.0°
C32	C31	C33	122.4°	90.0°
C31	C32	O8	124.4°	90.0°
C31	C32	N8	112.8°	90.0°
C31	C33	S1	108.4°	90.0°
C31	C33	H39	125.8°	90.0°
O8	C32	N8	122.7°	90.0°
S1	C33	H39	125.8°	90.0°
C33	S1	C29	91.2°	90.0°
C34	N8	H40	119.3°	90.0°
N8	C34	C35	110.3°	90.0°
N8	C34	C36	112.3°	90.0°
N8	C34	H41	108.8°	90.0°
C34	N8	C32	121.4°	90.0°
H40	N8	C32	119.2°	90.0°
C35	C34	C36	109.5°	90.0°
C35	C34	H41	108.0°	90.0°
C34	C35	O9	120.7°	90.0°
C34	C35	N9	116.3°	90.0°
C36	C34	H41	107.7°	90.0°
C34	C36	O10	110.0°	90.0°
C34	C36	C37	111.4°	90.0°
C34	C36	H42	108.0°	90.0°
O9	C35	N9	123.0°	90.0°
O10	C36	C37	109.5°	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	109.4°	90.0°
C36	C37	H46	109.5°	90.0°
H44	C37	H45	109.5°	90.0°
H44	C37	H46	109.4°	90.0°
H45	C37	H46	109.5°	90.0°
C38	N9	H47	117.5°	90.0°
N9	C38	C39	123.5°	90.0°
N9	C38	C41	115.4°	90.0°
C38	N9	C35	125.1°	90.0°
H47	N9	C35	117.5°	90.0°
C39	C38	C41	121.1°	90.0°
C38	C39	C40	122.1°	90.0°
C38	C39	H48	118.9°	90.0°
C38	C41	S2	121.4°	90.0°
C38	C41	N10	122.3°	90.0°
C40	C39	H48	119.0°	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	109.5°	90.0°
H50	C40	H51	109.5°	90.0°
N10	C42	C43	112.5°	90.0°
N10	C42	C44	107.7°	90.0°
N10	C42	H52	109.1°	90.0°
C42	N10	C41	111.9°	90.0°
C43	C42	C44	110.8°	90.0°
C43	C42	H52	108.5°	90.0°
C42	C43	O11	118.8°	90.0°
C42	C43	N11	117.3°	90.0°
C44	C42	H52	108.2°	90.0°
C42	C44	S2	103.8°	90.0°
C42	C44	H53	110.9°	90.0°
C42	C44	H54	110.9°	90.0°
O11	C43	N11	123.8°	90.0°
S2	C44	H53	110.9°	90.0°
S2	C44	H54	110.9°	90.0°
C44	S2	C41	89.3°	90.0°
H53	C44	H54	109.5°	90.0°
N11	C45	C46	109.1°	90.0°
N11	C45	C47	110.9°	90.0°
C45	N11	H55	119.0°	90.0°
N11	C45	H56	109.3°	90.0°
C45	N11	C43	122.1°	90.0°
C46	C45	C47	111.1°	90.0°
C46	C45	H56	108.4°	90.0°
C45	C46	S3	120.3°	90.0°
C45	C46	N12	125.0°	90.0°
C45	C47	O12	109.1°	90.0°
C45	C47	C48	110.7°	90.0°
C45	C47	C49	107.6°	90.0°
C47	C45	H56	108.0°	90.0°
O12	C47	C48	109.6°	90.0°
O12	C47	C49	109.0°	90.0°
C47	O12	H57	109.5°	90.0°
C48	C47	C49	110.8°	90.0°
C47	C48	H58	109.5°	90.0°
C47	C48	H59	109.5°	90.0°
C47	C48	H60	109.4°	90.0°
C47	C49	O13	106.2°	90.0°
C47	C49	C50	115.4°	90.0°
C47	C49	H61	107.9°	90.0°
O13	C49	C50	109.2°	90.0°
O13	C49	H61	109.6°	90.0°
C49	O13	H62	109.5°	90.0°
C50	C49	H61	108.4°	90.0°
C49	C50	H63	109.5°	90.0°
C49	C50	H64	109.5°	90.0°
C49	C50	H65	109.5°	90.0°
H55	N11	C43	119.0°	90.0°
H58	C48	H59	109.4°	90.0°
H58	C48	H60	109.5°	90.0°
H59	C48	H60	109.5°	90.0°
H63	C50	H64	109.5°	90.0°
H63	C50	H65	109.4°	90.0°
H64	C50	H65	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	122.3°	90.0°
C51	C52	O14	124.3°	90.0°
C51	C52	N13	113.2°	90.0°
C51	C53	S3	108.6°	90.0°
C51	C53	H66	125.7°	90.0°
O14	C52	N13	122.5°	90.0°
S3	C53	H66	125.7°	90.0°
C53	S3	C46	90.7°	90.0°
C54	N13	H67	119.3°	90.0°
N13	C54	C55	110.8°	90.0°
N13	C54	C56	111.6°	90.0°
N13	C54	H68	108.5°	90.0°
C54	N13	C52	121.4°	90.0°
H67	N13	C52	119.3°	90.0°
C55	C54	C56	110.5°	90.0°
C55	C54	H68	107.7°	90.0°
C54	C55	S4	120.5°	90.0°
C54	C55	N14	124.9°	90.0°
C56	C54	H68	107.5°	90.0°
C54	C56	O15	110.4°	90.0°
C54	C56	C57	111.4°	90.0°
C54	C56	H69	109.2°	90.0°
O15	C56	C57	106.3°	90.0°
O15	C56	H69	110.0°	90.0°
C56	O15	C1	118.6°	90.0°
C57	C56	H69	109.5°	90.0°
C56	C57	H70	109.5°	90.0°
C56	C57	H71	109.5°	90.0°
C56	C57	H72	109.5°	90.0°
H70	C57	H71	109.4°	90.0°
H70	C57	H72	109.5°	90.0°
H71	C57	H72	109.5°	90.0°
N14	C58	C59	119.5°	90.0°
N14	C58	C60	114.2°	90.0°
C58	N14	C55	111.9°	90.0°
C59	C58	C60	126.4°	90.0°
C58	C59	C28	115.6°	90.0°
C58	C59	N15	104.1°	90.0°
C58	C60	S4	108.6°	90.0°
C58	C60	H73	125.7°	90.0°
S4	C60	H73	125.7°	90.0°
C60	S4	C55	90.8°	90.0°
N15	C61	C62	115.5°	90.0°
N15	C61	C63	127.6°	90.0°
C61	N15	C59	119.3°	90.0°
C62	C61	C63	116.9°	90.0°
C61	C62	S5	121.3°	90.0°
C61	C62	N16	123.7°	90.0°
C61	C63	H74	108.7°	90.0°
C61	C63	H75	108.7°	90.0°
C61	C63	C30	112.7°	90.0°
H74	C63	H75	109.5°	90.0°
H74	C63	C30	108.7°	90.0°
H75	C63	C30	108.6°	90.0°
N16	C64	C65	123.2°	90.0°
N16	C64	C66	114.3°	90.0°
C64	N16	C62	111.6°	90.0°
C65	C64	C66	122.5°	90.0°
C64	C65	O16	124.5°	90.0°
C64	C65	N17	112.3°	90.0°
C64	C66	S5	108.5°	90.0°
C64	C66	H76	125.8°	90.0°
O16	C65	N17	123.3°	90.0°
S5	C66	H76	125.7°	90.0°
C66	S5	C62	90.5°	90.0°
C67	N17	H77	116.8°	90.0°
N17	C67	C68	126.0°	90.0°
N17	C67	C69	112.9°	90.0°
C67	N17	C65	126.4°	90.0°
H77	N17	C65	116.8°	90.0°
C68	C67	C69	121.1°	90.0°
C67	C68	H78	120.0°	90.0°
C67	C68	H79	120.0°	90.0°
C67	C69	O17	117.4°	90.0°
C67	C69	N18	119.7°	90.0°
H78	C68	H79	120.0°	90.0°
O17	C69	N18	122.8°	90.0°
H80	N18	H81	120.0°	90.0°
H80	N18	C69	120.0°	90.0°
H81	N18	C69	120.0°	90.0°
N7	C29	S1	113.6°	90.0°
C28	C59	N15	111.8°	90.0°
S2	C41	N10	116.3°	90.0°
S3	C46	N12	114.7°	90.0°
S4	C55	N14	114.6°	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	178.9°	90.0°
O1	C1	C2	N1	179.1°	90.0°
O1	C1	C2	C3	0.7°	90.0°
O1	C1	O15	C56	6.4°	90.0°
C1	C2	N1	C3	179.9°	90.0°
C1	C2	N1	C4	179.8°	90.0°
C1	C2	C3	C5	179.9°	90.0°
C1	C2	C3	H1	0.1°	90.0°
C2	C1	O15	C56	174.7°	90.0°
N1	C2	C3	C5	0.2°	90.0°
N1	C2	C3	H1	179.8°	90.0°
C2	N1	C4	C6	179.4°	90.0°
C2	N1	C4	C7	0.2°	90.0°
N1	C2	C1	O15	2.0°	90.0°
C3	C2	N1	C4	0.3°	90.0°
C2	C3	C5	H1	180.0°	90.0°
C2	C3	C5	C7	0.1°	90.0°
C2	C3	C5	C9	179.5°	90.0°
C3	C2	C1	O15	178.2°	90.0°
N1	C4	C6	C7	179.2°	90.0°
N1	C4	C7	C5	0.0°	90.0°
N1	C4	C6	O2	90.5°	90.0°
N1	C4	C6	C8	148.1°	90.0°
N1	C4	C6	H2	29.9°	90.0°
N1	C4	C7	C10	179.4°	90.0°
C3	C5	C7	C4	0.0°	90.0°
C3	C5	C7	C9	179.4°	90.0°
C3	C5	C7	C10	179.4°	90.0°
C3	C5	C9	O3	20.5°	90.0°
C3	C5	C9	C11	100.5°	90.0°
C3	C5	C9	H5	141.3°	90.0°
H1	C3	C5	C7	180.0°	90.0°
H1	C3	C5	C9	0.5°	90.0°
C6	C4	C7	C5	179.2°	90.0°
C4	C6	O2	C8	121.9°	90.0°
C4	C6	O2	H2	119.6°	90.0°
C4	C6	C8	H2	118.4°	90.0°
C6	C4	C7	C10	1.4°	90.0°
C4	C6	O2	H3	180.0°	90.0°
C4	C6	C8	C12	46.6°	90.0°
C4	C6	C8	H4	167.7°	90.0°
C4	C6	C8	N2	69.9°	90.0°
C4	C7	C5	C10	179.4°	90.0°
C4	C7	C5	C9	179.4°	90.0°
C7	C4	C6	O2	90.3°	90.0°
C7	C4	C6	C8	31.2°	90.0°
C7	C4	C6	H2	149.3°	90.0°
C4	C7	C10	C12	18.9°	90.0°
C4	C7	C10	H7	161.1°	90.0°
C7	C5	C9	O3	160.1°	90.0°
C7	C5	C9	C11	78.9°	90.0°
C7	C5	C9	H5	39.3°	90.0°
C5	C7	C10	C12	161.7°	90.0°
C5	C7	C10	H7	18.3°	90.0°
C9	C5	C7	C10	1.2°	90.0°
C5	C9	O3	C11	121.1°	90.0°
C5	C9	O3	H5	120.0°	90.0°
C5	C9	C11	H5	118.2°	90.0°
C5	C9	O3	H6	64.5°	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	119.4°	90.0°
O2	C6	C8	C12	75.6°	90.0°
O2	C6	C8	H4	45.4°	90.0°
O2	C6	C8	N2	167.9°	90.0°
C8	C6	O2	H3	58.1°	90.0°
C6	C8	C12	H4	120.8°	90.0°
C6	C8	C12	N2	120.5°	90.0°
C6	C8	H4	N2	123.2°	90.0°
C6	C8	C12	C10	34.0°	90.0°
C6	C8	C12	H11	146.0°	90.0°
C6	C8	N2	C13	77.0°	90.0°
C6	C8	N2	H12	43.7°	90.0°
H2	C6	O2	H3	60.4°	90.0°
H2	C6	C8	C12	164.9°	90.0°
H2	C6	C8	H4	74.0°	90.0°
H2	C6	C8	N2	48.4°	90.0°
C7	C10	C12	C8	0.7°	90.0°
C7	C10	C12	H7	180.0°	90.0°
C7	C10	C12	H11	179.3°	90.0°
C12	C8	H4	N2	115.4°	90.0°
C8	C12	C10	H11	180.0°	90.0°
C8	C12	C10	H7	179.3°	90.0°
C12	C8	N2	C13	163.3°	90.0°
C12	C8	N2	H12	76.0°	90.0°
H4	C8	C12	C10	154.8°	90.0°
H4	C8	C12	H11	25.2°	90.0°
H4	C8	N2	C13	44.9°	90.0°
H4	C8	N2	H12	165.6°	90.0°
O3	C9	C11	H5	119.6°	90.0°
O3	C9	C11	H8	57.9°	90.0°
O3	C9	C11	H9	62.1°	90.0°
O3	C9	C11	H10	177.8°	90.0°
C11	C9	O3	H6	174.4°	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	55.5°	90.0°
H5	C9	C11	H8	61.8°	90.0°
H5	C9	C11	H9	178.2°	90.0°
H5	C9	C11	H10	58.2°	90.0°
C10	C12	C8	N2	86.5°	90.0°
H7	C10	C12	H11	0.7°	90.0°
H8	C11	H9	H10	120.0°	90.0°
H11	C12	C8	N2	93.5°	90.0°
C13	N2	H12	C8	124.4°	90.0°
N2	C13	C14	C15	123.0°	90.0°
N2	C13	C14	H13	119.4°	90.0°
N2	C13	C15	H13	119.5°	90.0°
N2	C13	C14	O4	141.8°	90.0°
N2	C13	C15	C16	58.2°	90.0°
N2	C13	C15	C17	65.6°	90.0°
N2	C13	C15	H14	176.6°	90.0°
N2	C13	C14	N3	38.1°	90.0°
H12	N2	C13	C14	12.3°	90.0°
H12	N2	C13	C15	109.6°	90.0°
H12	N2	C13	H13	131.4°	90.0°
C14	C13	C15	H13	117.7°	90.0°
C13	C14	O4	N3	179.9°	90.0°
C14	C13	C15	C16	64.6°	90.0°
C14	C13	C15	C17	171.6°	90.0°
C14	C13	C15	H14	53.8°	90.0°
C13	C14	N3	C19	179.2°	90.0°
C13	C14	N3	H23	0.8°	90.0°
C14	C13	N2	C8	108.5°	90.0°
C15	C13	C14	O4	95.2°	90.0°
C13	C15	C16	C17	123.5°	90.0°
C13	C15	C16	H14	118.4°	90.0°
C13	C15	C17	H14	117.5°	90.0°
C13	C15	C16	C18	60.7°	90.0°
C13	C15	C16	H15	60.1°	90.0°
C13	C15	C16	H16	178.4°	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	129.6°	90.0°
C15	C13	C14	N3	84.9°	90.0°
H13	C13	C14	O4	22.4°	90.0°
H13	C13	C15	C16	177.7°	90.0°
H13	C13	C15	C17	53.8°	90.0°
H13	C13	C15	H14	63.9°	90.0°
H13	C13	N2	C8	10.6°	90.0°
H13	C13	C14	N3	157.5°	90.0°
O4	C14	N3	C19	0.7°	90.0°
O4	C14	N3	H23	179.3°	90.0°
C16	C15	C17	H14	117.9°	90.0°
C15	C16	C18	H15	120.9°	90.0°
C15	C16	C18	H16	120.9°	90.0°
C15	C16	H15	H16	117.3°	90.0°
C16	C15	C17	H17	55.5°	90.0°
C16	C15	C17	H18	175.4°	90.0°
C16	C15	C17	H19	64.6°	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	62.7°	90.0°
C17	C15	C16	H15	176.4°	90.0°
C17	C15	C16	H16	58.1°	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	179.1°	90.0°
H14	C15	C16	H15	58.3°	90.0°
H14	C15	C16	H16	60.0°	90.0°
H14	C15	C17	H17	62.5°	90.0°
H14	C15	C17	H18	57.5°	90.0°
H14	C15	C17	H19	177.5°	90.0°
C18	C16	H15	H16	117.3°	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	59.1°	90.0°
H15	C16	C18	H21	179.1°	90.0°
H15	C16	C18	H22	60.9°	90.0°
H16	C16	C18	H20	59.1°	90.0°
H16	C16	C18	H21	60.9°	90.0°
H16	C16	C18	H22	179.1°	90.0°
H17	C17	H18	H19	120.0°	90.0°
H20	C18	H21	H22	120.0°	90.0°
C19	N3	H23	C14	180.0°	90.0°
N3	C19	C20	C21	122.6°	90.0°
N3	C19	C20	H24	119.3°	90.0°
N3	C19	C21	H24	119.1°	90.0°
N3	C19	C20	O5	61.3°	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	119.1°	90.0°
H23	N3	C19	C20	12.2°	90.0°
H23	N3	C19	C21	110.3°	90.0°
H23	N3	C19	H24	131.1°	90.0°
C20	C19	C21	H24	118.1°	90.0°
C19	C20	O5	N4	179.6°	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	179.7°	90.0°
C19	C20	N4	H28	0.3°	90.0°
C20	C19	N3	C14	167.8°	90.0°
C21	C19	C20	O5	61.3°	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	118.3°	90.0°
C21	C19	N3	C14	69.7°	90.0°
H24	C19	C20	O5	179.4°	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	0.2°	90.0°
H24	C19	N3	C14	48.9°	90.0°
O5	C20	N4	C22	0.7°	90.0°
O5	C20	N4	H28	179.3°	90.0°
H25	C21	H26	H27	120.0°	90.0°
C22	N4	H28	C20	180.0°	90.0°
N4	C22	C23	C24	179.2°	90.0°
N4	C22	C23	H29	179.2°	90.0°
N4	C22	C23	H30	0.8°	90.0°
N4	C22	C24	O6	0.6°	90.0°
N4	C22	C24	N5	178.1°	90.0°
H28	N4	C22	C23	163.1°	90.0°
H28	N4	C22	C24	17.6°	90.0°
C22	C23	H29	H30	180.0°	90.0°
C23	C22	C24	O6	178.6°	90.0°
C23	C22	N4	C20	16.9°	90.0°
C23	C22	C24	N5	2.6°	90.0°
C24	C22	C23	H29	0.0°	90.0°
C24	C22	C23	H30	180.0°	90.0°
C22	C24	O6	N5	178.7°	90.0°
C22	C24	N5	C25	179.2°	90.0°
C22	C24	N5	H31	0.8°	90.0°
C24	C22	N4	C20	162.4°	90.0°
O6	C24	N5	C25	0.5°	90.0°
O6	C24	N5	H31	179.5°	90.0°
C25	N5	H31	C24	180.0°	90.0°
N5	C25	C26	C27	122.3°	90.0°
N5	C25	C26	H32	119.3°	90.0°
N5	C25	C27	H32	118.7°	90.0°
N5	C25	C26	O7	62.5°	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	117.1°	90.0°
H31	N5	C25	C26	58.2°	90.0°
H31	N5	C25	C27	64.9°	90.0°
H31	N5	C25	H32	176.9°	90.0°
C26	C25	C27	H32	118.4°	90.0°
C25	C26	O7	N6	179.5°	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	175.6°	90.0°
C25	C26	N6	H36	4.4°	90.0°
C26	C25	N5	C24	121.7°	90.0°
C27	C25	C26	O7	59.8°	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	115.1°	90.0°
C27	C25	C26	N6	120.7°	90.0°
H32	C25	C26	O7	178.2°	90.0°
H32	C25	C27	H33	61.4°	90.0°
H32	C25	C27	H34	58.7°	90.0°
H32	C25	C27	H35	178.7°	90.0°
H32	C25	N5	C24	3.0°	90.0°
H32	C25	C26	N6	2.2°	90.0°
O7	C26	N6	C28	3.9°	90.0°
O7	C26	N6	H36	176.1°	90.0°
H33	C27	H34	H35	119.9°	90.0°
C28	N6	H36	C26	180.0°	90.0°
N6	C28	C29	C30	125.1°	90.0°
N6	C28	C29	C59	117.4°	90.0°
N6	C28	C30	C59	112.7°	90.0°
N6	C28	C30	H37	69.2°	90.0°
N6	C28	C30	H38	171.1°	90.0°
N6	C28	C59	C58	61.3°	90.0°
N6	C28	C30	C63	50.9°	90.0°
N6	C28	C29	N7	79.3°	90.0°
N6	C28	C29	S1	100.6°	90.0°
N6	C28	C59	N15	57.6°	90.0°
H36	N6	C28	C29	113.0°	90.0°
H36	N6	C28	C30	120.8°	90.0°
H36	N6	C28	C59	8.6°	90.0°
C29	C28	C30	C59	122.1°	90.0°
C29	C28	C30	H37	56.0°	90.0°
C29	C28	C30	H38	63.7°	90.0°
C28	C29	N7	C31	179.9°	90.0°
C28	C29	S1	C33	180.0°	90.0°
C29	C28	C59	C58	59.5°	90.0°
C29	C28	C30	C63	176.2°	90.0°
C28	C29	N7	S1	179.9°	90.0°
C29	C28	C59	N15	178.4°	90.0°
C29	C28	N6	C26	67.0°	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	177.9°	90.0°
C28	C30	C63	C61	35.9°	90.0°
C28	C30	C63	H74	156.4°	90.0°
C28	C30	C63	H75	84.6°	90.0°
C30	C28	C29	N7	155.7°	90.0°
C30	C28	C29	S1	24.5°	90.0°
C30	C28	C59	N15	59.1°	90.0°
C30	C28	N6	C26	59.2°	90.0°
H37	C30	H38	C63	119.6°	90.0°
H37	C30	C63	C61	156.0°	90.0°
H37	C30	C63	H74	83.5°	90.0°
H37	C30	C63	H75	35.5°	90.0°
H37	C30	C28	C59	178.1°	90.0°
H38	C30	C63	C61	84.3°	90.0°
H38	C30	C63	H74	36.2°	90.0°
H38	C30	C63	H75	155.3°	90.0°
H38	C30	C28	C59	58.4°	90.0°
N7	C31	C32	C33	179.6°	90.0°
N7	C31	C32	O8	178.3°	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	2.7°	90.0°
C31	C32	O8	N8	178.9°	90.0°
C32	C31	C33	S1	179.7°	90.0°
C32	C31	C33	H39	0.3°	90.0°
C31	C32	N8	C34	167.7°	90.0°
C31	C32	N8	H40	12.3°	90.0°
C32	C31	N7	C29	179.7°	90.0°
C33	C31	C32	O8	1.4°	90.0°
C31	C33	S1	H39	180.0°	90.0°
C33	C31	N7	C29	0.0°	90.0°
C31	C33	S1	C29	0.1°	90.0°
C33	C31	C32	N8	177.7°	90.0°
O8	C32	N8	C34	13.3°	90.0°
O8	C32	N8	H40	166.7°	90.0°
C33	S1	C29	N7	0.1°	90.0°
H39	C33	S1	C29	179.9°	90.0°
C34	N8	H40	C32	180.0°	90.0°
N8	C34	C35	C36	124.2°	90.0°
N8	C34	C35	H41	118.8°	90.0°
N8	C34	C36	H41	119.8°	90.0°
N8	C34	C35	O9	13.1°	90.0°
N8	C34	C36	O10	179.6°	90.0°
N8	C34	C36	C37	58.8°	90.0°
N8	C34	C36	H42	60.0°	90.0°
N8	C34	C35	N9	166.9°	90.0°
H40	N8	C34	C35	71.4°	90.0°
H40	N8	C34	C36	51.1°	90.0°
H40	N8	C34	H41	170.3°	90.0°
C35	C34	C36	H41	117.2°	90.0°
C34	C35	O9	N9	180.0°	90.0°
C35	C34	C36	O10	57.5°	90.0°
C35	C34	C36	C37	64.1°	90.0°
C35	C34	C36	H42	177.0°	90.0°
C34	C35	N9	C38	172.7°	90.0°
C34	C35	N9	H47	7.3°	90.0°
C35	C34	N8	C32	108.6°	90.0°
C36	C34	C35	O9	111.0°	90.0°
C34	C36	O10	C37	122.8°	90.0°
C34	C36	O10	H42	118.6°	90.0°
C34	C36	C37	H42	118.7°	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	128.9°	90.0°
C36	C34	C35	N9	68.9°	90.0°
H41	C34	C35	O9	131.9°	90.0°
H41	C34	C36	O10	59.8°	90.0°
H41	C34	C36	C37	178.6°	90.0°
H41	C34	C36	H42	59.8°	90.0°
H41	C34	N8	C32	9.7°	90.0°
H41	C34	C35	N9	48.1°	90.0°
O9	C35	N9	C38	7.3°	90.0°
O9	C35	N9	H47	172.7°	90.0°
O10	C36	C37	H42	119.4°	90.0°
O10	C36	C37	H44	58.1°	90.0°
O10	C36	C37	H45	178.1°	90.0°
O10	C36	C37	H46	61.9°	90.0°
C37	C36	O10	H43	57.2°	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	61.3°	90.0°
H42	C36	C37	H45	58.7°	90.0°
H42	C36	C37	H46	178.7°	90.0°
H44	C37	H45	H46	120.0°	90.0°
C38	N9	H47	C35	180.0°	90.0°
N9	C38	C39	C41	179.7°	90.0°
N9	C38	C39	C40	0.1°	90.0°
N9	C38	C39	H48	179.8°	90.0°
N9	C38	C41	S2	166.5°	90.0°
N9	C38	C41	N10	12.6°	90.0°
H47	N9	C38	C39	93.3°	90.0°
H47	N9	C38	C41	87.1°	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	86.7°	90.0°
C39	C38	C41	S2	13.8°	90.0°
C39	C38	C41	N10	167.1°	90.0°
C41	C38	C39	C40	179.5°	90.0°
C41	C38	C39	H48	0.5°	90.0°
C38	C41	N10	C42	179.7°	90.0°
C38	C41	S2	C44	161.5°	90.0°
C41	C38	N9	C35	92.9°	90.0°
C38	C41	S2	N10	179.2°	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	120.5°	90.0°
N10	C42	C43	H52	120.7°	90.0°
N10	C42	C44	H52	117.8°	90.0°
N10	C42	C43	O11	157.7°	90.0°
N10	C42	C44	S2	33.5°	90.0°
N10	C42	C44	H53	85.6°	90.0°
N10	C42	C44	H54	152.6°	90.0°
C42	N10	C41	S2	0.6°	90.0°
N10	C42	C43	N11	22.4°	90.0°
C43	C42	C44	H52	118.9°	90.0°
C42	C43	O11	N11	179.9°	90.0°
C43	C42	C44	S2	156.8°	90.0°
C43	C42	C44	H53	37.7°	90.0°
C43	C42	C44	H54	84.1°	90.0°
C42	C43	N11	C45	176.1°	90.0°
C42	C43	N11	H55	3.9°	90.0°
C43	C42	N10	C41	145.4°	90.0°
C44	C42	C43	O11	37.1°	90.0°
C42	C44	S2	H53	119.1°	90.0°
C42	C44	S2	H54	119.1°	90.0°
C42	C44	H53	H54	122.6°	90.0°
C42	C44	S2	C41	28.1°	90.0°
C44	C42	N10	C41	23.0°	90.0°
C44	C42	C43	N11	142.9°	90.0°
H52	C42	C43	O11	81.6°	90.0°
H52	C42	C44	S2	84.3°	90.0°
H52	C42	C44	H53	156.6°	90.0°
H52	C42	C44	H54	34.8°	90.0°
H52	C42	N10	C41	94.2°	90.0°
H52	C42	C43	N11	98.4°	90.0°
O11	C43	N11	C45	3.8°	90.0°
O11	C43	N11	H55	176.2°	90.0°
S2	C44	H53	H54	122.7°	90.0°
C44	S2	C41	N10	17.7°	90.0°
H53	C44	S2	C41	91.0°	90.0°
H54	C44	S2	C41	147.2°	90.0°
N11	C45	C46	C47	122.6°	90.0°
N11	C45	C46	H56	119.0°	90.0°
N11	C45	C47	H56	119.7°	90.0°
N11	C45	C47	O12	65.9°	90.0°
N11	C45	C47	C48	173.4°	90.0°
N11	C45	C47	C49	52.2°	90.0°
C45	N11	H55	C43	180.0°	90.0°
N11	C45	C46	S3	138.4°	90.0°
N11	C45	C46	N12	41.4°	90.0°
C46	C45	C47	H56	118.8°	90.0°
C46	C45	C47	O12	55.6°	90.0°
C46	C45	C47	C48	65.1°	90.0°
C46	C45	C47	C49	173.7°	90.0°
C46	C45	N11	H55	67.1°	90.0°
C45	C46	N12	C51	179.8°	90.0°
C45	C46	S3	C53	179.8°	90.0°
C46	C45	N11	C43	112.9°	90.0°
C45	C46	S3	N12	179.8°	90.0°
C45	C47	O12	C48	121.4°	90.0°
C45	C47	O12	C49	117.3°	90.0°
C45	C47	C48	C49	119.3°	90.0°
C45	C47	C49	O13	64.7°	90.0°
C45	C47	C49	C50	174.1°	90.0°
C47	C45	N11	H55	55.6°	90.0°
C45	C47	O12	H57	180.0°	90.0°
C45	C47	C48	H58	180.0°	90.0°
C45	C47	C48	H59	60.0°	90.0°
C45	C47	C48	H60	60.0°	90.0°
C45	C47	C49	H61	52.8°	90.0°
C47	C45	N11	C43	124.4°	90.0°
C47	C45	C46	S3	99.0°	90.0°
C47	C45	C46	N12	81.1°	90.0°
O12	C47	C48	C49	120.3°	90.0°
O12	C47	C49	O13	177.1°	90.0°
O12	C47	C49	C50	55.9°	90.0°
O12	C47	C45	H56	174.4°	90.0°
O12	C47	C48	H58	59.5°	90.0°
O12	C47	C48	H59	60.4°	90.0°
O12	C47	C48	H60	179.6°	90.0°
O12	C47	C49	H61	65.5°	90.0°
C48	C47	C49	O13	56.5°	90.0°
C48	C47	C49	C50	64.7°	90.0°
C48	C47	C45	H56	53.7°	90.0°
C48	C47	O12	H57	58.6°	90.0°
C47	C48	H58	H59	120.0°	90.0°
C47	C48	H58	H60	120.0°	90.0°
C47	C48	H59	H60	120.0°	90.0°
C48	C47	C49	H61	173.9°	90.0°
C47	C49	O13	C50	125.1°	90.0°
C47	C49	O13	H61	116.3°	90.0°
C47	C49	C50	H61	121.1°	90.0°
C49	C47	C45	H56	67.5°	90.0°
C49	C47	O12	H57	62.7°	90.0°
C49	C47	C48	H58	60.7°	90.0°
C49	C47	C48	H59	179.3°	90.0°
C49	C47	C48	H60	59.3°	90.0°
C47	C49	O13	H62	180.0°	90.0°
C47	C49	C50	H63	180.0°	90.0°
C47	C49	C50	H64	60.0°	90.0°
C47	C49	C50	H65	60.0°	90.0°
O13	C49	C50	H61	119.4°	90.0°
O13	C49	C50	H63	60.5°	90.0°
O13	C49	C50	H64	179.5°	90.0°
O13	C49	C50	H65	59.5°	90.0°
C50	C49	O13	H62	54.9°	90.0°
C49	C50	H63	H64	120.0°	90.0°
C49	C50	H63	H65	120.0°	90.0°
C49	C50	H64	H65	120.0°	90.0°
H55	N11	C45	H56	174.5°	90.0°
H56	C45	N11	C43	5.5°	90.0°
H56	C45	C46	S3	19.4°	90.0°
H56	C45	C46	N12	160.4°	90.0°
H58	C48	H59	H60	120.0°	90.0°
H61	C49	O13	H62	63.7°	90.0°
H61	C49	C50	H63	58.9°	90.0°
H61	C49	C50	H64	61.1°	90.0°
H61	C49	C50	H65	178.9°	90.0°
H63	C50	H64	H65	120.0°	90.0°
N12	C51	C52	C53	180.0°	90.0°
N12	C51	C52	O14	178.7°	90.0°
N12	C51	C53	S3	0.0°	90.0°
N12	C51	C53	H66	180.0°	90.0°
C51	N12	C46	S3	0.0°	90.0°
N12	C51	C52	N13	1.9°	90.0°
C51	C52	O14	N13	179.3°	90.0°
C52	C51	C53	S3	180.0°	90.0°
C52	C51	C53	H66	0.0°	90.0°
C51	C52	N13	C54	179.4°	90.0°
C51	C52	N13	H67	0.6°	90.0°
C52	C51	N12	C46	180.0°	90.0°
C53	C51	C52	O14	1.2°	90.0°
C51	C53	S3	H66	180.0°	90.0°
C51	C53	S3	C46	0.0°	90.0°
C53	C51	N12	C46	0.0°	90.0°
C53	C51	C52	N13	178.2°	90.0°
O14	C52	N13	C54	1.2°	90.0°
O14	C52	N13	H67	178.8°	90.0°
C53	S3	C46	N12	0.0°	90.0°
H66	C53	S3	C46	180.0°	90.0°
C54	N13	H67	C52	180.0°	90.0°
N13	C54	C55	C56	124.3°	90.0°
N13	C54	C55	H68	118.6°	90.0°
N13	C54	C56	H68	118.9°	90.0°
N13	C54	C56	O15	46.2°	90.0°
N13	C54	C56	C57	71.7°	90.0°
N13	C54	C56	H69	167.3°	90.0°
N13	C54	C55	S4	0.2°	90.0°
N13	C54	C55	N14	179.9°	90.0°
H67	N13	C54	C55	36.7°	90.0°
H67	N13	C54	C56	86.9°	90.0°
H67	N13	C54	H68	154.8°	90.0°
C55	C54	C56	H68	117.3°	90.0°
C55	C54	C56	O15	77.6°	90.0°
C55	C54	C56	C57	164.6°	90.0°
C55	C54	C56	H69	43.5°	90.0°
C54	C55	N14	C58	180.0°	90.0°
C54	C55	S4	C60	180.0°	90.0°
C55	C54	N13	C52	143.3°	90.0°
C54	C55	S4	N14	179.9°	90.0°
C54	C56	O15	C57	120.9°	90.0°
C54	C56	O15	H69	120.6°	90.0°
C54	C56	C57	H69	120.9°	90.0°
C54	C56	C57	H70	180.0°	90.0°
C54	C56	C57	H71	60.0°	90.0°
C54	C56	C57	H72	60.0°	90.0°
C54	C56	O15	C1	107.9°	90.0°
C56	C54	N13	C52	93.1°	90.0°
C56	C54	C55	S4	124.5°	90.0°
C56	C54	C55	N14	55.6°	90.0°
H68	C54	C56	O15	165.1°	90.0°
H68	C54	C56	C57	47.2°	90.0°
H68	C54	C56	H69	73.8°	90.0°
H68	C54	N13	C52	25.2°	90.0°
H68	C54	C55	S4	118.3°	90.0°
H68	C54	C55	N14	61.6°	90.0°
O15	C56	C57	H69	118.8°	90.0°
O15	C56	C57	H70	59.7°	90.0°
O15	C56	C57	H71	179.7°	90.0°
O15	C56	C57	H72	60.3°	90.0°
C56	C57	H70	H71	120.0°	90.0°
C56	C57	H70	H72	120.0°	90.0°
C56	C57	H71	H72	120.0°	90.0°
C57	C56	O15	C1	131.2°	90.0°
H69	C56	C57	H70	59.1°	90.0°
H69	C56	C57	H71	60.9°	90.0°
H69	C56	C57	H72	179.1°	90.0°
H69	C56	O15	C1	12.7°	90.0°
H70	C57	H71	H72	120.0°	90.0°
N14	C58	C59	C60	179.7°	90.0°
N14	C58	C60	S4	0.0°	90.0°
N14	C58	C60	H73	180.0°	90.0°
N14	C58	C59	C28	67.2°	90.0°
C58	N14	C55	S4	0.1°	90.0°
N14	C58	C59	N15	55.8°	90.0°
C59	C58	C60	S4	179.7°	90.0°
C59	C58	C60	H73	0.3°	90.0°
C58	C59	N15	C61	155.3°	90.0°
C58	C59	C28	N15	118.9°	90.0°
C59	C58	N14	C55	179.8°	90.0°
C58	C60	S4	H73	180.0°	90.0°
C60	C58	C59	C28	113.1°	90.0°
C58	C60	S4	C55	0.0°	90.0°
C60	C58	N14	C55	0.1°	90.0°
C60	C58	C59	N15	123.9°	90.0°
C60	S4	C55	N14	0.1°	90.0°
H73	C60	S4	C55	179.9°	90.0°
N15	C61	C62	C63	179.8°	90.0°
N15	C61	C63	H74	123.7°	90.0°
N15	C61	C63	H75	117.3°	90.0°
N15	C61	C63	C30	3.2°	90.0°
C61	N15	C59	C28	29.8°	90.0°
N15	C61	C62	S5	0.2°	90.0°
N15	C61	C62	N16	179.7°	90.0°
C62	C61	C63	H74	56.5°	90.0°
C62	C61	C63	H75	62.5°	90.0°
C61	C62	N16	C64	180.0°	90.0°
C61	C62	S5	C66	180.0°	90.0°
C62	C61	C63	C30	177.0°	90.0°
C62	C61	N15	C59	179.9°	90.0°
C61	C62	S5	N16	180.0°	90.0°
C61	C63	H74	H75	118.5°	90.0°
C61	C63	H74	C30	123.0°	90.0°
C61	C63	H75	C30	123.0°	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°
H74	C63	H75	C30	118.5°	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	H76	180.0°	90.0°
C64	N16	C62	S5	0.1°	90.0°
N16	C64	C65	N17	0.7°	90.0°
C64	C65	O16	N17	179.5°	90.0°
C65	C64	C66	S5	180.0°	90.0°
C65	C64	C66	H76	0.0°	90.0°
C64	C65	N17	C67	178.5°	90.0°
C64	C65	N17	H77	1.5°	90.0°
C65	C64	N16	C62	180.0°	90.0°
C66	C64	C65	O16	0.3°	90.0°
C64	C66	S5	H76	180.0°	90.0°
C64	C66	S5	C62	0.0°	90.0°
C66	C64	N16	C62	0.1°	90.0°
C66	C64	C65	N17	179.2°	90.0°
O16	C65	N17	C67	1.9°	90.0°
O16	C65	N17	H77	178.1°	90.0°
C66	S5	C62	N16	0.0°	90.0°
H76	C66	S5	C62	180.0°	90.0°
C67	N17	H77	C65	180.0°	90.0°
N17	C67	C68	C69	179.9°	90.0°
N17	C67	C68	H78	180.0°	90.0°
N17	C67	C68	H79	0.0°	90.0°
N17	C67	C69	O17	0.1°	90.0°
N17	C67	C69	N18	179.8°	90.0°
H77	N17	C67	C68	173.5°	90.0°
H77	N17	C67	C69	6.5°	90.0°
C67	C68	H78	H79	180.0°	90.0°
C68	C67	C69	O17	179.9°	90.0°
C68	C67	N17	C65	6.5°	90.0°
C68	C67	C69	N18	0.2°	90.0°
C69	C67	C68	H78	0.0°	90.0°
C69	C67	C68	H79	180.0°	90.0°
C67	C69	O17	N18	179.9°	90.0°
C67	C69	N18	H80	179.9°	90.0°
C67	C69	N18	H81	0.1°	90.0°
C69	C67	N17	C65	173.5°	90.0°
O17	C69	N18	H80	0.0°	90.0°
O17	C69	N18	H81	180.0°	90.0°
H80	N18	H81	C69	180.0°	90.0°
C63	C30	C28	C59	61.8°	90.0°
N7	C29	C28	C59	38.1°	90.0°
S1	C29	C28	C59	142.1°	90.0°
C59	C28	N6	C26	171.4°	90.0°

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