PRD_000762

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	sing	0.00Å	1.34Å
C1	C2	sing	0.00Å	1.49Å
C2	O2	doub	0.00Å	1.32Å
C2	C3	sing	0.00Å	1.49Å
C3	C4	sing	0.00Å	1.52Å
C3	H1	sing	0.00Å	1.10Å
C3	H2	sing	0.00Å	1.10Å
C4	C5	sing	0.00Å	1.56Å
C4	C6	sing	0.00Å	1.54Å
C4	H3	sing	0.00Å	1.10Å
C5	H4	sing	0.00Å	1.10Å
C5	H5	sing	0.00Å	1.10Å
C5	H6	sing	0.00Å	1.10Å
C6	H7	sing	0.00Å	1.10Å
C6	H8	sing	0.00Å	1.10Å
C6	H9	sing	0.00Å	1.10Å
N1	C7	sing	0.00Å	1.35Å
C7	C8	sing	0.00Å	1.39Å
C7	C9	doub	0.00Å	1.39Å
C8	O3	doub	0.00Å	1.24Å
C9	S1	sing	0.00Å	1.70Å
N2	C10	sing	0.00Å	1.49Å
N2	H10	sing	0.00Å	1.00Å
C10	C11	sing	0.00Å	1.56Å
C10	H11	sing	0.00Å	1.10Å
C10	H12	sing	0.00Å	1.10Å
C11	O4	doub	0.00Å	1.24Å
N3	C12	sing	0.00Å	1.44Å
N3	H13	sing	0.00Å	1.00Å
C12	C13	sing	0.00Å	1.52Å
C12	C14	sing	0.00Å	1.52Å
C12	H14	sing	0.00Å	1.10Å
C13	O5	doub	0.00Å	1.24Å
C14	O6	sing	0.00Å	1.42Å
C14	H15	sing	0.00Å	1.10Å
C14	H16	sing	0.00Å	1.10Å
O6	H17	sing	0.00Å	0.95Å
N4	C15	sing	0.00Å	1.46Å
N4	H18	sing	0.00Å	1.00Å
C15	C16	sing	0.00Å	1.54Å
C15	C17	sing	0.00Å	1.49Å
C15	H19	sing	0.00Å	1.10Å
C16	O7	doub	0.00Å	1.23Å
C17	S2	sing	0.00Å	1.85Å
C17	H20	sing	0.00Å	1.10Å
C17	H21	sing	0.00Å	1.10Å
N5	C18	sing	0.00Å	1.46Å
N5	H22	sing	0.00Å	1.00Å
C18	C19	sing	0.00Å	1.53Å
C18	C20	sing	0.00Å	1.56Å
C18	H23	sing	0.00Å	1.10Å
C19	O8	doub	0.00Å	1.28Å
C20	C21	sing	0.00Å	1.50Å
C20	H24	sing	0.00Å	1.10Å
C20	H25	sing	0.00Å	1.10Å
C21	C22	doub	0.00Å	1.40Å	Aromatic
C21	C23	sing	0.00Å	1.39Å	Aromatic
C22	C24	sing	0.00Å	1.39Å	Aromatic
C22	H26	sing	0.00Å	1.08Å
C23	C25	doub	0.00Å	1.38Å	Aromatic
C23	H27	sing	0.00Å	1.08Å
C24	C26	doub	0.00Å	1.35Å	Aromatic
C24	H28	sing	0.00Å	1.08Å
C25	C26	sing	0.00Å	1.36Å	Aromatic
C25	H29	sing	0.00Å	1.08Å
C26	O9	sing	0.00Å	1.40Å
O9	H30	sing	0.00Å	0.95Å
N6	C27	sing	0.00Å	1.50Å
N6	C31	sing	0.00Å	1.51Å
C27	C28	sing	0.00Å	1.44Å
C27	C29	sing	0.00Å	1.58Å
C27	H31	sing	0.00Å	1.10Å
C28	O10	sing	0.00Å	1.44Å
C29	C30	sing	0.00Å	1.42Å
C29	H32	sing	0.00Å	1.10Å
C29	H33	sing	0.00Å	1.10Å
C30	C31	sing	0.00Å	1.45Å
C30	H34	sing	0.00Å	1.10Å
C30	H35	sing	0.00Å	1.10Å
C31	H36	sing	0.00Å	1.10Å
C31	H37	sing	0.00Å	1.10Å
N7	C32	sing	0.00Å	1.46Å
C32	C33	sing	0.00Å	1.44Å
C32	C34	doub	0.00Å	1.37Å
C33	O10	sing	0.00Å	1.41Å
C33	O11	doub	0.00Å	1.22Å
C34	S3	sing	0.00Å	1.72Å
N8	C35	sing	0.00Å	1.46Å
N8	H38	sing	0.00Å	1.00Å
C35	C36	sing	0.00Å	1.52Å
C35	C37	sing	0.00Å	1.51Å
C35	H39	sing	0.00Å	1.10Å
C36	O12	doub	0.00Å	1.25Å
C37	O13	sing	0.00Å	1.42Å
C37	H40	sing	0.00Å	1.10Å
C37	H41	sing	0.00Å	1.10Å
O13	H42	sing	0.00Å	0.95Å
N9	C38	sing	0.00Å	1.44Å
N9	H43	sing	0.00Å	1.00Å
C38	C39	sing	0.00Å	1.55Å
C38	C40	sing	0.00Å	1.50Å
C38	H44	sing	0.00Å	1.10Å
C39	O14	doub	0.00Å	1.20Å
C40	S4	sing	0.00Å	1.81Å
C40	H45	sing	0.00Å	1.10Å
C40	H46	sing	0.00Å	1.10Å
N10	C41	sing	0.00Å	1.46Å
N10	H47	sing	0.00Å	1.00Å
C41	C42	sing	0.00Å	1.53Å
C41	C43	sing	0.00Å	1.53Å
C41	H48	sing	0.00Å	1.10Å
C42	O15	doub	0.00Å	1.22Å
C42	O16	sing	0.00Å	1.21Å
C43	C44	sing	0.00Å	1.50Å
C43	H49	sing	0.00Å	1.10Å
C43	H50	sing	0.00Å	1.10Å
C44	S5	sing	0.00Å	1.81Å
C44	H51	sing	0.00Å	1.10Å
C44	H52	sing	0.00Å	1.10Å
S5	C45	sing	0.00Å	1.73Å
C45	H53	sing	0.00Å	1.10Å
C45	H54	sing	0.00Å	1.10Å
C45	H55	sing	0.00Å	1.10Å
O16	H56	sing	0.00Å	0.95Å
C1	N1	sing	0.00Å	1.33Å
O1	C8	sing	0.00Å	1.41Å
N1	CU1	sing	0.00Å	2.03Å
C9	N2	sing	0.00Å	1.40Å
S1	CU1	sing	0.00Å	2.41Å
C11	N3	sing	0.00Å	1.35Å
C13	N4	sing	0.00Å	1.34Å
C16	N5	sing	0.00Å	1.35Å
S2	S4	sing	0.00Å	2.03Å
C19	N6	sing	0.00Å	1.33Å
C28	N7	sing	0.00Å	1.31Å
N7	CU1	sing	0.00Å	2.05Å
C34	N8	sing	0.00Å	1.35Å
S3	CU1	sing	0.00Å	2.34Å
C36	N9	sing	0.00Å	1.33Å
C39	N10	sing	0.00Å	1.33Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	118.6°	90.0°
O1	C1	N1	113.5°	90.0°
C1	O1	C8	105.3°	90.0°
C1	C2	O2	115.5°	90.0°
C1	C2	C3	121.7°	90.0°
C2	C1	N1	127.8°	90.0°
O2	C2	C3	122.8°	90.0°
C2	C3	C4	111.0°	90.0°
C2	C3	H1	109.1°	90.0°
C2	C3	H2	109.1°	90.0°
C4	C3	H1	109.1°	90.0°
C4	C3	H2	109.1°	90.0°
C3	C4	C5	112.1°	90.0°
C3	C4	C6	110.5°	90.0°
C3	C4	H3	109.2°	90.0°
H1	C3	H2	109.5°	90.0°
C5	C4	C6	107.4°	90.0°
C5	C4	H3	108.7°	90.0°
C4	C5	H4	109.5°	90.0°
C4	C5	H5	109.5°	90.0°
C4	C5	H6	109.5°	90.0°
C6	C4	H3	108.9°	90.0°
C4	C6	H7	109.5°	90.0°
C4	C6	H8	109.4°	90.0°
C4	C6	H9	109.5°	90.0°
H4	C5	H5	109.5°	90.0°
H4	C5	H6	109.5°	90.0°
H5	C5	H6	109.4°	90.0°
H7	C6	H8	109.5°	90.0°
H7	C6	H9	109.5°	90.0°
H8	C6	H9	109.4°	90.0°
N1	C7	C8	110.2°	90.0°
N1	C7	C9	120.8°	90.0°
C7	N1	C1	105.6°	90.0°
C7	N1	CU1	116.5°	90.0°
C8	C7	C9	129.0°	90.0°
C7	C8	O3	132.1°	90.0°
C7	C8	O1	105.5°	90.0°
C7	C9	S1	123.6°	90.0°
C7	C9	N2	115.9°	90.0°
O3	C8	O1	122.3°	90.0°
S1	C9	N2	120.4°	90.0°
C9	S1	CU1	93.4°	90.0°
C10	N2	H10	106.0°	90.0°
N2	C10	C11	112.0°	90.0°
N2	C10	H11	108.8°	90.0°
N2	C10	H12	108.8°	90.0°
C10	N2	C9	122.9°	90.0°
H10	N2	C9	106.0°	90.0°
C11	C10	H11	108.9°	90.0°
C11	C10	H12	108.8°	90.0°
C10	C11	O4	124.7°	90.0°
C10	C11	N3	112.1°	90.0°
H11	C10	H12	109.5°	90.0°
O4	C11	N3	123.1°	90.0°
C12	N3	H13	120.5°	90.0°
N3	C12	C13	113.0°	90.0°
N3	C12	C14	111.8°	90.0°
N3	C12	H14	108.5°	90.0°
C12	N3	C11	119.0°	90.0°
H13	N3	C11	120.5°	90.0°
C13	C12	C14	108.3°	90.0°
C13	C12	H14	107.5°	90.0°
C12	C13	O5	117.7°	90.0°
C12	C13	N4	117.7°	90.0°
C14	C12	H14	107.5°	90.0°
C12	C14	O6	108.3°	90.0°
C12	C14	H15	109.7°	90.0°
C12	C14	H16	109.7°	90.0°
O5	C13	N4	124.6°	90.0°
O6	C14	H15	109.8°	90.0°
O6	C14	H16	109.8°	90.0°
C14	O6	H17	109.5°	90.0°
H15	C14	H16	109.5°	90.0°
C15	N4	H18	118.6°	90.0°
N4	C15	C16	110.1°	90.0°
N4	C15	C17	112.6°	90.0°
N4	C15	H19	108.5°	90.0°
C15	N4	C13	122.8°	90.0°
H18	N4	C13	118.6°	90.0°
C16	C15	C17	110.0°	90.0°
C16	C15	H19	107.5°	90.0°
C15	C16	O7	119.9°	90.0°
C15	C16	N5	117.2°	90.0°
C17	C15	H19	108.1°	90.0°
C15	C17	S2	112.6°	90.0°
C15	C17	H20	108.7°	90.0°
C15	C17	H21	108.7°	90.0°
O7	C16	N5	122.8°	90.0°
S2	C17	H20	108.7°	90.0°
S2	C17	H21	108.7°	90.0°
C17	S2	S4	103.4°	90.0°
H20	C17	H21	109.4°	90.0°
C18	N5	H22	121.1°	90.0°
N5	C18	C19	110.0°	90.0°
N5	C18	C20	109.7°	90.0°
N5	C18	H23	110.2°	90.0°
C18	N5	C16	117.8°	90.0°
H22	N5	C16	121.1°	90.0°
C19	C18	C20	108.8°	90.0°
C19	C18	H23	109.2°	90.0°
C18	C19	O8	120.4°	90.0°
C18	C19	N6	117.5°	90.0°
C20	C18	H23	108.9°	90.0°
C18	C20	C21	112.0°	90.0°
C18	C20	H24	108.8°	90.0°
C18	C20	H25	108.8°	90.0°
O8	C19	N6	121.9°	90.0°
C21	C20	H24	108.8°	90.0°
C21	C20	H25	108.8°	90.0°
C20	C21	C22	120.6°	90.0°
C20	C21	C23	120.3°	90.0°
H24	C20	H25	109.5°	90.0°
C22	C21	C23	119.1°	90.0°
C21	C22	C24	119.8°	90.0°
C21	C22	H26	120.1°	90.0°
C21	C23	C25	119.5°	90.0°
C21	C23	H27	120.2°	90.0°
C24	C22	H26	120.1°	90.0°
C22	C24	C26	119.8°	90.0°
C22	C24	H28	120.1°	90.0°
C25	C23	H27	120.2°	90.0°
C23	C25	C26	120.4°	90.0°
C23	C25	H29	119.8°	90.0°
C26	C24	H28	120.1°	90.0°
C24	C26	C25	121.4°	90.0°
C24	C26	O9	118.0°	90.0°
C26	C25	H29	119.8°	90.0°
C25	C26	O9	120.6°	90.0°
C26	O9	H30	109.5°	90.0°
C27	N6	C31	113.8°	90.0°
N6	C27	C28	113.4°	90.0°
N6	C27	C29	101.4°	90.0°
N6	C27	H31	110.0°	90.0°
C27	N6	C19	125.2°	90.0°
N6	C31	C30	101.4°	90.0°
N6	C31	H36	111.5°	90.0°
N6	C31	H37	111.4°	90.0°
C31	N6	C19	120.7°	90.0°
C28	C27	C29	111.8°	90.0°
C28	C27	H31	110.9°	90.0°
C27	C28	O10	118.4°	90.0°
C27	C28	N7	129.1°	90.0°
C29	C27	H31	108.9°	90.0°
C27	C29	C30	106.1°	90.0°
C27	C29	H32	110.3°	90.0°
C27	C29	H33	110.3°	90.0°
C28	O10	C33	106.5°	90.0°
O10	C28	N7	112.4°	90.0°
C30	C29	H32	110.3°	90.0°
C30	C29	H33	110.3°	90.0°
C29	C30	C31	115.7°	90.0°
C29	C30	H34	107.9°	90.0°
C29	C30	H35	107.9°	90.0°
H32	C29	H33	109.5°	90.0°
C31	C30	H34	107.9°	90.0°
C31	C30	H35	107.9°	90.0°
C30	C31	H36	111.4°	90.0°
C30	C31	H37	111.4°	90.0°
H34	C30	H35	109.5°	90.0°
H36	C31	H37	109.5°	90.0°
N7	C32	C33	107.3°	90.0°
N7	C32	C34	124.3°	90.0°
C32	N7	C28	106.8°	90.0°
C32	N7	CU1	108.0°	90.0°
C33	C32	C34	128.4°	90.0°
C32	C33	O10	106.6°	90.0°
C32	C33	O11	133.3°	90.0°
C32	C34	S3	120.3°	90.0°
C32	C34	N8	116.7°	90.0°
O10	C33	O11	120.0°	90.0°
S3	C34	N8	122.7°	90.0°
C34	S3	CU1	94.3°	90.0°
C35	N8	H38	106.1°	90.0°
N8	C35	C36	112.1°	90.0°
N8	C35	C37	109.4°	90.0°
N8	C35	H39	108.5°	90.0°
C35	N8	C34	122.7°	90.0°
H38	N8	C34	106.1°	90.0°
C36	C35	C37	111.0°	90.0°
C36	C35	H39	107.8°	90.0°
C35	C36	O12	119.0°	90.0°
C35	C36	N9	119.0°	90.0°
C37	C35	H39	107.9°	90.0°
C35	C37	O13	111.2°	90.0°
C35	C37	H40	109.1°	90.0°
C35	C37	H41	109.0°	90.0°
O12	C36	N9	121.9°	90.0°
O13	C37	H40	109.0°	90.0°
O13	C37	H41	109.0°	90.0°
C37	O13	H42	109.5°	90.0°
H40	C37	H41	109.5°	90.0°
C38	N9	H43	118.5°	90.0°
N9	C38	C39	112.6°	90.0°
N9	C38	C40	112.0°	90.0°
N9	C38	H44	108.0°	90.0°
C38	N9	C36	123.0°	90.0°
H43	N9	C36	118.5°	90.0°
C39	C38	C40	109.9°	90.0°
C39	C38	H44	106.7°	90.0°
C38	C39	O14	119.6°	90.0°
C38	C39	N10	115.8°	90.0°
C40	C38	H44	107.2°	90.0°
C38	C40	S4	116.1°	90.0°
C38	C40	H45	107.8°	90.0°
C38	C40	H46	107.8°	90.0°
O14	C39	N10	124.2°	90.0°
S4	C40	H45	107.8°	90.0°
S4	C40	H46	107.8°	90.0°
C40	S4	S2	103.6°	90.0°
H45	C40	H46	109.5°	90.0°
C41	N10	H47	118.7°	90.0°
N10	C41	C42	112.8°	90.0°
N10	C41	C43	108.4°	90.0°
N10	C41	H48	109.7°	90.0°
C41	N10	C39	122.6°	90.0°
H47	N10	C39	118.7°	90.0°
C42	C41	C43	108.1°	90.0°
C42	C41	H48	108.9°	90.0°
C41	C42	O15	120.6°	90.0°
C41	C42	O16	117.4°	90.0°
C43	C41	H48	108.9°	90.0°
C41	C43	C44	114.6°	90.0°
C41	C43	H49	108.2°	90.0°
C41	C43	H50	108.2°	90.0°
O15	C42	O16	122.0°	90.0°
C42	O16	H56	109.5°	90.0°
C44	C43	H49	108.2°	90.0°
C44	C43	H50	108.2°	90.0°
C43	C44	S5	113.8°	90.0°
C43	C44	H51	108.3°	90.0°
C43	C44	H52	108.4°	90.0°
H49	C43	H50	109.4°	90.0°
S5	C44	H51	108.4°	90.0°
S5	C44	H52	108.4°	90.0°
C44	S5	C45	99.8°	90.0°
H51	C44	H52	109.5°	90.0°
S5	C45	H53	109.5°	90.0°
S5	C45	H54	109.5°	90.0°
S5	C45	H55	109.5°	90.0°
H53	C45	H54	109.5°	90.0°
H53	C45	H55	109.5°	90.0°
H54	C45	H55	109.4°	90.0°
C1	N1	CU1	137.7°	90.0°
N1	CU1	S1	85.5°	90.0°
N1	CU1	N7	130.1°	90.0°
N1	CU1	S3	127.8°	90.0°
S1	CU1	N7	117.2°	90.0°
S1	CU1	S3	108.4°	90.0°
C28	N7	CU1	144.3°	90.0°
N7	CU1	S3	88.7°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	N1	176.5°	90.0°
O1	C1	C2	O2	1.1°	90.0°
O1	C1	C2	C3	179.7°	90.0°
O1	C1	N1	C7	1.3°	90.0°
C1	O1	C8	C7	0.7°	90.0°
C1	O1	C8	O3	176.6°	90.0°
O1	C1	N1	CU1	173.5°	90.0°
C1	C2	O2	C3	179.1°	90.0°
C1	C2	C3	C4	91.5°	90.0°
C1	C2	C3	H1	28.7°	90.0°
C1	C2	C3	H2	148.2°	90.0°
C2	C1	N1	C7	175.4°	90.0°
C2	C1	O1	C8	175.7°	90.0°
C2	C1	N1	CU1	9.9°	90.0°
O2	C2	C3	C4	89.4°	90.0°
O2	C2	C3	H1	150.4°	90.0°
O2	C2	C3	H2	30.9°	90.0°
O2	C2	C1	N1	175.4°	90.0°
C2	C3	C4	H1	120.2°	90.0°
C2	C3	C4	H2	120.2°	90.0°
C2	C3	H1	H2	119.3°	90.0°
C2	C3	C4	C5	63.3°	90.0°
C2	C3	C4	C6	177.0°	90.0°
C2	C3	C4	H3	57.3°	90.0°
C3	C2	C1	N1	3.7°	90.0°
C4	C3	H1	H2	119.3°	90.0°
C3	C4	C5	C6	121.5°	90.0°
C3	C4	C5	H3	120.8°	90.0°
C3	C4	C6	H3	119.9°	90.0°
C3	C4	C5	H4	180.0°	90.0°
C3	C4	C5	H5	60.0°	90.0°
C3	C4	C5	H6	60.0°	90.0°
C3	C4	C6	H7	180.0°	90.0°
C3	C4	C6	H8	60.0°	90.0°
C3	C4	C6	H9	60.0°	90.0°
H1	C3	C4	C5	176.5°	90.0°
H1	C3	C4	C6	56.8°	90.0°
H1	C3	C4	H3	63.0°	90.0°
H2	C3	C4	C5	57.0°	90.0°
H2	C3	C4	C6	62.8°	90.0°
H2	C3	C4	H3	177.5°	90.0°
C5	C4	C6	H3	117.5°	90.0°
C4	C5	H4	H5	120.0°	90.0°
C4	C5	H4	H6	120.0°	90.0°
C4	C5	H5	H6	120.0°	90.0°
C5	C4	C6	H7	57.5°	90.0°
C5	C4	C6	H8	177.5°	90.0°
C5	C4	C6	H9	62.5°	90.0°
C6	C4	C5	H4	58.5°	90.0°
C6	C4	C5	H5	61.5°	90.0°
C6	C4	C5	H6	178.5°	90.0°
C4	C6	H7	H8	120.0°	90.0°
C4	C6	H7	H9	120.0°	90.0°
C4	C6	H8	H9	120.0°	90.0°
H3	C4	C5	H4	59.2°	90.0°
H3	C4	C5	H5	179.2°	90.0°
H3	C4	C5	H6	60.8°	90.0°
H3	C4	C6	H7	60.1°	90.0°
H3	C4	C6	H8	60.0°	90.0°
H3	C4	C6	H9	179.9°	90.0°
H4	C5	H5	H6	120.0°	90.0°
H7	C6	H8	H9	120.0°	90.0°
N1	C7	C8	C9	179.5°	90.0°
N1	C7	C8	O3	176.9°	90.0°
N1	C7	C9	S1	1.5°	90.0°
C7	N1	C1	CU1	174.8°	90.0°
N1	C7	C8	O1	0.0°	90.0°
N1	C7	C9	N2	174.6°	90.0°
C7	N1	CU1	S1	5.0°	90.0°
C7	N1	CU1	N7	117.3°	90.0°
C7	N1	CU1	S3	114.8°	90.0°
C7	C8	O3	O1	176.5°	90.0°
C8	C7	C9	S1	179.1°	90.0°
C8	C7	N1	C1	0.8°	90.0°
C8	C7	N1	CU1	175.3°	90.0°
C8	C7	C9	N2	4.8°	90.0°
C9	C7	C8	O3	2.6°	90.0°
C7	C9	S1	N2	175.9°	90.0°
C7	C9	N2	C10	170.0°	90.0°
C7	C9	N2	H10	48.1°	90.0°
C9	C7	N1	C1	178.8°	90.0°
C9	C7	C8	O1	179.5°	90.0°
C9	C7	N1	CU1	5.2°	90.0°
C7	C9	S1	CU1	2.2°	90.0°
S1	C9	N2	C10	6.2°	90.0°
S1	C9	N2	H10	128.1°	90.0°
C9	S1	CU1	N1	3.4°	90.0°
C9	S1	CU1	N7	130.0°	90.0°
C9	S1	CU1	S3	131.7°	90.0°
C10	N2	H10	C9	132.1°	90.0°
N2	C10	C11	H11	120.4°	90.0°
N2	C10	C11	H12	120.4°	90.0°
N2	C10	H11	H12	118.8°	90.0°
N2	C10	C11	O4	18.4°	90.0°
N2	C10	C11	N3	157.8°	90.0°
H10	N2	C10	C11	168.6°	90.0°
H10	N2	C10	H11	48.2°	90.0°
H10	N2	C10	H12	71.0°	90.0°
C11	C10	H11	H12	118.9°	90.0°
C10	C11	O4	N3	175.8°	90.0°
C10	C11	N3	C12	170.5°	90.0°
C10	C11	N3	H13	9.5°	90.0°
C11	C10	N2	C9	69.6°	90.0°
H11	C10	C11	O4	101.9°	90.0°
H11	C10	N2	C9	170.0°	90.0°
H11	C10	C11	N3	81.8°	90.0°
H12	C10	C11	O4	138.8°	90.0°
H12	C10	N2	C9	50.8°	90.0°
H12	C10	C11	N3	37.4°	90.0°
O4	C11	N3	C12	13.2°	90.0°
O4	C11	N3	H13	166.8°	90.0°
C12	N3	H13	C11	180.0°	90.0°
N3	C12	C13	C14	124.4°	90.0°
N3	C12	C13	H14	119.7°	90.0°
N3	C12	C14	H14	119.0°	90.0°
N3	C12	C13	O5	177.5°	90.0°
N3	C12	C14	O6	65.7°	90.0°
N3	C12	C14	H15	174.5°	90.0°
N3	C12	C14	H16	54.1°	90.0°
N3	C12	C13	N4	5.4°	90.0°
H13	N3	C12	C13	95.9°	90.0°
H13	N3	C12	C14	26.6°	90.0°
H13	N3	C12	H14	145.0°	90.0°
C13	C12	C14	H14	115.9°	90.0°
C12	C13	O5	N4	176.8°	90.0°
C13	C12	C14	O6	59.5°	90.0°
C13	C12	C14	H15	60.3°	90.0°
C13	C12	C14	H16	179.3°	90.0°
C12	C13	N4	C15	166.9°	90.0°
C12	C13	N4	H18	13.1°	90.0°
C13	C12	N3	C11	84.1°	90.0°
C14	C12	C13	O5	53.2°	90.0°
C12	C14	O6	H15	119.8°	90.0°
C12	C14	O6	H16	119.8°	90.0°
C12	C14	H15	H16	120.5°	90.0°
C12	C14	O6	H17	180.0°	90.0°
C14	C12	N3	C11	153.4°	90.0°
C14	C12	C13	N4	129.8°	90.0°
H14	C12	C13	O5	62.7°	90.0°
H14	C12	C14	O6	175.4°	90.0°
H14	C12	C14	H15	55.6°	90.0°
H14	C12	C14	H16	64.8°	90.0°
H14	C12	N3	C11	35.0°	90.0°
H14	C12	C13	N4	114.3°	90.0°
O5	C13	N4	C15	10.0°	90.0°
O5	C13	N4	H18	170.0°	90.0°
O6	C14	H15	H16	120.6°	90.0°
H15	C14	O6	H17	60.2°	90.0°
H16	C14	O6	H17	60.2°	90.0°
C15	N4	H18	C13	180.0°	90.0°
N4	C15	C16	C17	124.6°	90.0°
N4	C15	C16	H19	117.9°	90.0°
N4	C15	C17	H19	119.8°	90.0°
N4	C15	C16	O7	154.5°	90.0°
N4	C15	C17	S2	70.4°	90.0°
N4	C15	C17	H20	169.1°	90.0°
N4	C15	C17	H21	50.1°	90.0°
N4	C15	C16	N5	28.4°	90.0°
H18	N4	C15	C16	63.2°	90.0°
H18	N4	C15	C17	60.0°	90.0°
H18	N4	C15	H19	179.5°	90.0°
C16	C15	C17	H19	117.0°	90.0°
C15	C16	O7	N5	177.0°	90.0°
C16	C15	C17	S2	52.7°	90.0°
C16	C15	C17	H20	67.7°	90.0°
C16	C15	C17	H21	173.2°	90.0°
C15	C16	N5	C18	174.0°	90.0°
C15	C16	N5	H22	6.0°	90.0°
C16	C15	N4	C13	116.8°	90.0°
C17	C15	C16	O7	29.8°	90.0°
C15	C17	S2	H20	120.5°	90.0°
C15	C17	S2	H21	120.5°	90.0°
C15	C17	H20	H21	118.5°	90.0°
C17	C15	N4	C13	120.0°	90.0°
C17	C15	C16	N5	153.0°	90.0°
C15	C17	S2	S4	102.4°	90.0°
H19	C15	C16	O7	87.6°	90.0°
H19	C15	C17	S2	169.8°	90.0°
H19	C15	C17	H20	49.3°	90.0°
H19	C15	C17	H21	69.7°	90.0°
H19	C15	N4	C13	0.5°	90.0°
H19	C15	C16	N5	89.5°	90.0°
O7	C16	N5	C18	9.0°	90.0°
O7	C16	N5	H22	171.1°	90.0°
S2	C17	H20	H21	118.6°	90.0°
C17	S2	S4	C40	94.6°	90.0°
H20	C17	S2	S4	137.1°	90.0°
H21	C17	S2	S4	18.1°	90.0°
C18	N5	H22	C16	180.0°	90.0°
N5	C18	C19	C20	120.2°	90.0°
N5	C18	C19	H23	121.0°	90.0°
N5	C18	C20	H23	120.7°	90.0°
N5	C18	C19	O8	50.6°	90.0°
N5	C18	C20	C21	174.7°	90.0°
N5	C18	C20	H24	65.0°	90.0°
N5	C18	C20	H25	54.3°	90.0°
N5	C18	C19	N6	134.0°	90.0°
H22	N5	C18	C19	113.9°	90.0°
H22	N5	C18	C20	5.7°	90.0°
H22	N5	C18	H23	125.7°	90.0°
C19	C18	C20	H23	119.0°	90.0°
C18	C19	O8	N6	175.2°	90.0°
C19	C18	C20	C21	54.3°	90.0°
C19	C18	C20	H24	174.7°	90.0°
C19	C18	C20	H25	66.0°	90.0°
C18	C19	N6	C27	2.5°	90.0°
C18	C19	N6	C31	170.8°	90.0°
C19	C18	N5	C16	66.2°	90.0°
C20	C18	C19	O8	69.6°	90.0°
C18	C20	C21	H24	120.4°	90.0°
C18	C20	C21	H25	120.4°	90.0°
C18	C20	H24	H25	118.9°	90.0°
C18	C20	C21	C22	97.7°	90.0°
C18	C20	C21	C23	82.7°	90.0°
C20	C18	N5	C16	174.2°	90.0°
C20	C18	C19	N6	105.8°	90.0°
H23	C18	C19	O8	171.6°	90.0°
H23	C18	C20	C21	64.6°	90.0°
H23	C18	C20	H24	55.8°	90.0°
H23	C18	C20	H25	175.0°	90.0°
H23	C18	N5	C16	54.3°	90.0°
H23	C18	C19	N6	13.0°	90.0°
O8	C19	N6	C27	177.8°	90.0°
O8	C19	N6	C31	4.5°	90.0°
C21	C20	H24	H25	118.8°	90.0°
C20	C21	C22	C23	179.7°	90.0°
C20	C21	C22	C24	179.8°	90.0°
C20	C21	C22	H26	0.2°	90.0°
C20	C21	C23	C25	179.5°	90.0°
C20	C21	C23	H27	0.5°	90.0°
H24	C20	C21	C22	142.0°	90.0°
H24	C20	C21	C23	37.7°	90.0°
H25	C20	C21	C22	22.7°	90.0°
H25	C20	C21	C23	157.0°	90.0°
C21	C22	C24	H26	180.0°	90.0°
C22	C21	C23	C25	0.8°	90.0°
C22	C21	C23	H27	179.2°	90.0°
C21	C22	C24	C26	1.2°	90.0°
C21	C22	C24	H28	178.8°	90.0°
C23	C21	C22	C24	0.2°	90.0°
C23	C21	C22	H26	179.9°	90.0°
C21	C23	C25	H27	180.0°	90.0°
C21	C23	C25	C26	0.2°	90.0°
C21	C23	C25	H29	179.8°	90.0°
C22	C24	C26	H28	180.0°	90.0°
C22	C24	C26	C25	1.9°	90.0°
C22	C24	C26	O9	179.6°	90.0°
H26	C22	C24	C26	178.8°	90.0°
H26	C22	C24	H28	1.2°	90.0°
C23	C25	C26	C24	1.2°	90.0°
C23	C25	C26	H29	180.0°	90.0°
C23	C25	C26	O9	178.8°	90.0°
H27	C23	C25	C26	179.8°	90.0°
H27	C23	C25	H29	0.2°	90.0°
C24	C26	C25	O9	177.6°	90.0°
C24	C26	C25	H29	178.8°	90.0°
C24	C26	O9	H30	180.0°	90.0°
H28	C24	C26	C25	178.1°	90.0°
H28	C24	C26	O9	0.4°	90.0°
C25	C26	O9	H30	2.3°	90.0°
H29	C25	C26	O9	1.2°	90.0°
C27	N6	C31	C19	174.0°	90.0°
N6	C27	C28	C29	113.9°	90.0°
N6	C27	C28	H31	124.3°	90.0°
N6	C27	C29	H31	116.0°	90.0°
N6	C27	C28	O10	54.0°	90.0°
N6	C27	C29	C30	12.3°	90.0°
N6	C27	C29	H32	131.8°	90.0°
N6	C27	C29	H33	107.2°	90.0°
C27	N6	C31	C30	3.3°	90.0°
C27	N6	C31	H36	122.0°	90.0°
C27	N6	C31	H37	115.3°	90.0°
N6	C27	C28	N7	123.1°	90.0°
C31	N6	C27	C28	110.3°	90.0°
C31	N6	C27	C29	9.7°	90.0°
C31	N6	C27	H31	124.9°	90.0°
N6	C31	C30	C29	5.7°	90.0°
N6	C31	C30	H36	118.7°	90.0°
N6	C31	C30	H37	118.7°	90.0°
N6	C31	C30	H34	115.2°	90.0°
N6	C31	C30	H35	126.6°	90.0°
N6	C31	H36	H37	123.8°	90.0°
C28	C27	C29	H31	122.9°	90.0°
C27	C28	O10	N7	177.6°	90.0°
C28	C27	C29	C30	108.8°	90.0°
C28	C27	C29	H32	10.7°	90.0°
C28	C27	C29	H33	131.7°	90.0°
C27	C28	N7	C32	177.4°	90.0°
C27	C28	O10	C33	179.7°	90.0°
C28	C27	N6	C19	76.0°	90.0°
C27	C28	N7	CU1	15.6°	90.0°
C29	C27	C28	O10	59.8°	90.0°
C27	C29	C30	H32	119.5°	90.0°
C27	C29	C30	H33	119.5°	90.0°
C27	C29	H32	H33	121.5°	90.0°
C27	C29	C30	C31	11.9°	90.0°
C27	C29	C30	H34	109.0°	90.0°
C27	C29	C30	H35	132.8°	90.0°
C29	C27	N6	C19	164.0°	90.0°
C29	C27	C28	N7	123.0°	90.0°
H31	C27	C28	O10	178.4°	90.0°
H31	C27	C29	C30	128.3°	90.0°
H31	C27	C29	H32	112.2°	90.0°
H31	C27	C29	H33	8.8°	90.0°
H31	C27	N6	C19	48.8°	90.0°
H31	C27	C28	N7	1.2°	90.0°
O10	C28	N7	C32	5.3°	90.0°
C28	O10	C33	C32	2.1°	90.0°
C28	O10	C33	O11	178.5°	90.0°
O10	C28	N7	CU1	161.7°	90.0°
C30	C29	H32	H33	121.6°	90.0°
C29	C30	C31	H34	120.9°	90.0°
C29	C30	C31	H35	120.9°	90.0°
C29	C30	H34	H35	117.2°	90.0°
C29	C30	C31	H36	113.0°	90.0°
C29	C30	C31	H37	124.4°	90.0°
H32	C29	C30	C31	131.4°	90.0°
H32	C29	C30	H34	10.5°	90.0°
H32	C29	C30	H35	107.7°	90.0°
H33	C29	C30	C31	107.5°	90.0°
H33	C29	C30	H34	131.6°	90.0°
H33	C29	C30	H35	13.3°	90.0°
C31	C30	H34	H35	117.2°	90.0°
C30	C31	H36	H37	123.7°	90.0°
C30	C31	N6	C19	170.7°	90.0°
H34	C30	C31	H36	126.1°	90.0°
H34	C30	C31	H37	3.5°	90.0°
H35	C30	C31	H36	7.9°	90.0°
H35	C30	C31	H37	114.7°	90.0°
H36	C31	N6	C19	52.0°	90.0°
H37	C31	N6	C19	70.6°	90.0°
N7	C32	C33	C34	179.2°	90.0°
N7	C32	C33	O10	5.1°	90.0°
N7	C32	C33	O11	179.1°	90.0°
N7	C32	C34	S3	3.2°	90.0°
C32	N7	CU1	N1	159.1°	90.0°
C32	N7	CU1	S1	92.4°	90.0°
C32	N7	C28	CU1	167.0°	90.0°
N7	C32	C34	N8	177.4°	90.0°
C32	N7	CU1	S3	17.7°	90.0°
C32	C33	O10	O11	176.4°	90.0°
C33	C32	C34	S3	177.8°	90.0°
C33	C32	N7	C28	6.4°	90.0°
C33	C32	N7	CU1	165.6°	90.0°
C33	C32	C34	N8	3.6°	90.0°
C34	C32	C33	O10	175.7°	90.0°
C34	C32	C33	O11	0.1°	90.0°
C32	C34	S3	N8	173.8°	90.0°
C32	C34	N8	C35	161.0°	90.0°
C32	C34	N8	H38	77.2°	90.0°
C34	C32	N7	C28	174.3°	90.0°
C34	C32	N7	CU1	13.6°	90.0°
C32	C34	S3	CU1	15.3°	90.0°
C33	O10	C28	N7	2.1°	90.0°
S3	C34	N8	C35	13.1°	90.0°
S3	C34	N8	H38	108.8°	90.0°
C34	S3	CU1	N1	159.7°	90.0°
C34	S3	CU1	S1	101.5°	90.0°
C34	S3	CU1	N7	16.9°	90.0°
C35	N8	H38	C34	131.9°	90.0°
N8	C35	C36	C37	122.7°	90.0°
N8	C35	C36	H39	119.4°	90.0°
N8	C35	C37	H39	117.9°	90.0°
N8	C35	C36	O12	178.1°	90.0°
N8	C35	C37	O13	56.4°	90.0°
N8	C35	C37	H40	176.6°	90.0°
N8	C35	C37	H41	63.9°	90.0°
N8	C35	C36	N9	5.8°	90.0°
H38	N8	C35	C36	30.9°	90.0°
H38	N8	C35	C37	92.7°	90.0°
H38	N8	C35	H39	149.8°	90.0°
C36	C35	C37	H39	117.8°	90.0°
C35	C36	O12	N9	176.1°	90.0°
C36	C35	C37	O13	67.9°	90.0°
C36	C35	C37	H40	52.4°	90.0°
C36	C35	C37	H41	171.9°	90.0°
C35	C36	N9	C38	176.2°	90.0°
C35	C36	N9	H43	3.8°	90.0°
C36	C35	N8	C34	91.0°	90.0°
C37	C35	C36	O12	55.3°	90.0°
C35	C37	O13	H40	120.3°	90.0°
C35	C37	O13	H41	120.2°	90.0°
C35	C37	H40	H41	119.2°	90.0°
C35	C37	O13	H42	180.0°	90.0°
C37	C35	N8	C34	145.5°	90.0°
C37	C35	C36	N9	128.5°	90.0°
H39	C35	C36	O12	62.5°	90.0°
H39	C35	C37	O13	174.3°	90.0°
H39	C35	C37	H40	65.5°	90.0°
H39	C35	C37	H41	54.0°	90.0°
H39	C35	N8	C34	28.0°	90.0°
H39	C35	C36	N9	113.6°	90.0°
O12	C36	N9	C38	0.1°	90.0°
O12	C36	N9	H43	179.9°	90.0°
O13	C37	H40	H41	119.2°	90.0°
H40	C37	O13	H42	59.7°	90.0°
H41	C37	O13	H42	59.8°	90.0°
C38	N9	H43	C36	180.0°	90.0°
N9	C38	C39	C40	125.7°	90.0°
N9	C38	C39	H44	118.4°	90.0°
N9	C38	C40	H44	118.3°	90.0°
N9	C38	C39	O14	164.7°	90.0°
N9	C38	C40	S4	61.7°	90.0°
N9	C38	C40	H45	177.3°	90.0°
N9	C38	C40	H46	59.2°	90.0°
N9	C38	C39	N10	22.8°	90.0°
H43	N9	C38	C39	116.2°	90.0°
H43	N9	C38	C40	8.3°	90.0°
H43	N9	C38	H44	126.2°	90.0°
C39	C38	C40	H44	115.6°	90.0°
C38	C39	O14	N10	171.8°	90.0°
C39	C38	C40	S4	64.3°	90.0°
C39	C38	C40	H45	56.7°	90.0°
C39	C38	C40	H46	174.7°	90.0°
C38	C39	N10	C41	179.0°	90.0°
C38	C39	N10	H47	1.0°	90.0°
C39	C38	N9	C36	63.8°	90.0°
C40	C38	C39	O14	69.6°	90.0°
C38	C40	S4	H45	121.0°	90.0°
C38	C40	S4	H46	120.9°	90.0°
C38	C40	H45	H46	116.9°	90.0°
C38	C40	S4	S2	81.0°	90.0°
C40	C38	N9	C36	171.7°	90.0°
C40	C38	C39	N10	102.8°	90.0°
H44	C38	C39	O14	46.4°	90.0°
H44	C38	C40	S4	179.9°	90.0°
H44	C38	C40	H45	58.9°	90.0°
H44	C38	C40	H46	59.1°	90.0°
H44	C38	N9	C36	53.8°	90.0°
H44	C38	C39	N10	141.2°	90.0°
O14	C39	N10	C41	8.9°	90.0°
O14	C39	N10	H47	171.1°	90.0°
S4	C40	H45	H46	117.0°	90.0°
H45	C40	S4	S2	158.0°	90.0°
H46	C40	S4	S2	40.0°	90.0°
C41	N10	H47	C39	180.0°	90.0°
N10	C41	C42	C43	119.8°	90.0°
N10	C41	C42	H48	122.1°	90.0°
N10	C41	C43	H48	119.3°	90.0°
N10	C41	C42	O15	10.6°	90.0°
N10	C41	C42	O16	167.6°	90.0°
N10	C41	C43	C44	62.1°	90.0°
N10	C41	C43	H49	58.7°	90.0°
N10	C41	C43	H50	177.1°	90.0°
H47	N10	C41	C42	106.6°	90.0°
H47	N10	C41	C43	13.1°	90.0°
H47	N10	C41	H48	131.9°	90.0°
C42	C41	C43	H48	118.1°	90.0°
C41	C42	O15	O16	178.1°	90.0°
C42	C41	C43	C44	175.4°	90.0°
C42	C41	C43	H49	63.9°	90.0°
C42	C41	C43	H50	54.6°	90.0°
C41	C42	O16	H56	178.1°	90.0°
C42	C41	N10	C39	73.5°	90.0°
C43	C41	C42	O15	109.2°	90.0°
C43	C41	C42	O16	72.6°	90.0°
C41	C43	C44	H49	120.8°	90.0°
C41	C43	C44	H50	120.8°	90.0°
C41	C43	H49	H50	117.6°	90.0°
C41	C43	C44	S5	41.4°	90.0°
C41	C43	C44	H51	79.3°	90.0°
C41	C43	C44	H52	162.0°	90.0°
C43	C41	N10	C39	166.9°	90.0°
H48	C41	C42	O15	132.7°	90.0°
H48	C41	C42	O16	45.5°	90.0°
H48	C41	C43	C44	57.2°	90.0°
H48	C41	C43	H49	178.0°	90.0°
H48	C41	C43	H50	63.5°	90.0°
H48	C41	N10	C39	48.1°	90.0°
O15	C42	O16	H56	0.0°	90.0°
C44	C43	H49	H50	117.7°	90.0°
C43	C44	S5	H51	120.6°	90.0°
C43	C44	S5	H52	120.7°	90.0°
C43	C44	H51	H52	118.0°	90.0°
C43	C44	S5	C45	113.9°	90.0°
H49	C43	C44	S5	162.1°	90.0°
H49	C43	C44	H51	41.5°	90.0°
H49	C43	C44	H52	77.2°	90.0°
H50	C43	C44	S5	79.4°	90.0°
H50	C43	C44	H51	160.0°	90.0°
H50	C43	C44	H52	41.2°	90.0°
S5	C44	H51	H52	118.0°	90.0°
C44	S5	C45	H53	180.0°	90.0°
C44	S5	C45	H54	60.0°	90.0°
C44	S5	C45	H55	60.0°	90.0°
H51	C44	S5	C45	125.4°	90.0°
H52	C44	S5	C45	6.7°	90.0°
S5	C45	H53	H54	120.0°	90.0°
S5	C45	H53	H55	120.0°	90.0°
S5	C45	H54	H55	120.0°	90.0°
H53	C45	H54	H55	120.0°	90.0°
N1	C1	O1	C8	1.3°	90.0°
C1	N1	CU1	S1	179.4°	90.0°
C1	N1	CU1	N7	57.1°	90.0°
C1	N1	CU1	S3	70.8°	90.0°
N1	CU1	S1	N7	133.3°	90.0°
N1	CU1	S1	S3	128.4°	90.0°
N1	CU1	N7	C28	34.0°	90.0°
N1	CU1	N7	S3	141.4°	90.0°
N2	C9	S1	CU1	178.1°	90.0°
S1	CU1	N7	C28	74.6°	90.0°
S1	CU1	N7	S3	110.1°	90.0°
C28	N7	CU1	S3	175.3°	90.0°
N8	C34	S3	CU1	170.9°	90.0°

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