PRD_002245

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O7	C35	doub	1.21Å	1.24Å
C4	C2	sing	1.53Å	1.55Å
C4	C1	sing	1.52Å	1.55Å
C2	N2	sing	1.47Å	1.45Å
C35	N2	sing	1.34Å	1.36Å
C35	C27	sing	1.50Å	1.53Å
C25	C24	sing	1.53Å	1.54Å
C28	C27	sing	1.53Å	1.54Å
C28	C29	sing	1.51Å	1.53Å
N2	N1	sing	1.38Å	1.42Å
C1	C3	sing	1.53Å	1.53Å
N4	C27	sing	1.48Å	1.44Å
N4	C23	sing	1.37Å	1.35Å
C29	C30	doub	1.38Å	1.42Å	Aromatic
C29	C32	sing	1.38Å	1.40Å	Aromatic
C3	N1	sing	1.48Å	1.47Å
C3	C11	sing	1.51Å	1.51Å
C26	C24	sing	1.53Å	1.53Å
C30	C31	sing	1.38Å	1.40Å	Aromatic
C24	C22	sing	1.53Å	1.53Å
C22	C23	sing	1.51Å	1.55Å
C22	N3	sing	1.48Å	1.47Å
O1	C5	doub	1.21Å	1.22Å
C23	O5	doub	1.21Å	1.24Å
C32	C33	doub	1.39Å	1.40Å	Aromatic
C31	C34	doub	1.38Å	1.38Å	Aromatic
C33	C34	sing	1.39Å	1.39Å	Aromatic
C33	O6	sing	1.36Å	1.37Å
C11	O4	sing	1.35Å	1.34Å
C11	O2	doub	1.21Å	1.19Å
C5	N3	sing	1.36Å	1.40Å
C5	C6	sing	1.51Å	1.54Å
O4	C12	sing	1.45Å	1.45Å
C6	C7	sing	1.53Å	1.53Å
C6	C8	sing	1.53Å	1.54Å
C12	C13	sing	1.51Å	1.51Å
C14	C13	doub	1.38Å	1.39Å	Aromatic
C14	C15	sing	1.40Å	1.38Å	Aromatic
C9	C8	sing	1.53Å	1.54Å
C9	C10	sing	1.53Å	1.50Å
C13	C18	sing	1.39Å	1.41Å	Aromatic
C8	O3	sing	1.43Å	1.44Å
O3	C21	sing	1.43Å	1.42Å
C19	C15	sing	1.48Å	1.48Å
C19	C20	doub	1.32Å	1.33Å
C15	C16	doub	1.40Å	1.39Å	Aromatic
C10	C20	sing	1.51Å	1.50Å
C18	C17	doub	1.38Å	1.40Å	Aromatic
C16	C17	sing	1.38Å	1.39Å	Aromatic
N1	H1	sing	1.01Å	1.00Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C31	H43	sing	1.08Å	1.08Å
C27	H39	sing	1.09Å	1.10Å
C34	H45	sing	1.08Å	1.08Å
C3	H6	sing	1.09Å	1.10Å
C30	H42	sing	1.08Å	1.08Å
C28	H40	sing	1.09Å	1.10Å
C28	H41	sing	1.09Å	1.10Å
C32	H44	sing	1.08Å	1.08Å
C22	H30	sing	1.09Å	1.10Å
C24	H31	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
C25	H32	sing	1.09Å	1.10Å
C25	H33	sing	1.09Å	1.10Å
C25	H34	sing	1.09Å	1.10Å
N4	H38	sing	0.97Å	1.00Å
N3	H29	sing	0.97Å	1.00Å
C26	H35	sing	1.09Å	1.10Å
C26	H36	sing	1.09Å	1.10Å
C26	H37	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
C7	H10	sing	1.09Å	1.10Å
C7	H11	sing	1.09Å	1.10Å
C7	H12	sing	1.09Å	1.10Å
C8	H13	sing	1.09Å	1.10Å
C9	H14	sing	1.09Å	1.10Å
C9	H15	sing	1.09Å	1.10Å
C10	H16	sing	1.09Å	1.10Å
C10	H17	sing	1.09Å	1.10Å
C12	H18	sing	1.09Å	1.10Å
C12	H19	sing	1.09Å	1.10Å
C14	H20	sing	1.08Å	1.08Å
C16	H21	sing	1.08Å	1.08Å
C17	H22	sing	1.08Å	1.08Å
C18	H23	sing	1.08Å	1.08Å
C19	H24	sing	1.09Å	1.08Å
C20	H25	sing	1.08Å	1.08Å
C21	H26	sing	1.09Å	1.10Å
C21	H27	sing	1.09Å	1.10Å
C21	H28	sing	1.09Å	1.10Å
O6	H46	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O7	C35	N2	119.0°	119.2°
O7	C35	C27	122.3°	119.2°
C2	C4	C1	110.9°	111.0°
C4	C2	N2	105.5°	108.4°
C4	C2	H4	110.4°	109.7°
C4	C2	H5	110.5°	109.7°
C2	C4	H7	109.1°	109.2°
C2	C4	H8	109.1°	109.2°
C4	C1	C3	108.8°	111.9°
C4	C1	H2	109.7°	109.0°
C4	C1	H3	109.7°	109.0°
C1	C4	H7	109.1°	109.2°
C1	C4	H8	109.1°	109.1°
C2	N2	C35	124.8°	121.6°
C2	N2	N1	115.4°	118.8°
N2	C2	H4	110.5°	109.6°
N2	C2	H5	110.4°	109.7°
N2	C35	C27	118.6°	121.6°
C35	N2	N1	119.8°	119.6°
C35	C27	C28	106.0°	109.7°
C35	C27	N4	110.5°	108.2°
C35	C27	H39	109.6°	109.7°
C25	C24	C26	109.0°	109.5°
C25	C24	C22	109.9°	109.5°
C25	C24	H31	108.1°	109.5°
C24	C25	H32	109.5°	109.4°
C24	C25	H33	109.5°	109.5°
C24	C25	H34	109.5°	109.5°
C27	C28	C29	114.4°	109.5°
C28	C27	N4	110.2°	109.7°
C28	C27	H39	109.5°	109.7°
C27	C28	H40	108.2°	109.5°
C27	C28	H41	108.2°	109.5°
C28	C29	C30	121.2°	120.0°
C28	C29	C32	119.3°	120.0°
C29	C28	H40	108.2°	109.5°
C29	C28	H41	108.2°	109.5°
N2	N1	C3	111.7°	109.9°
N2	N1	H1	108.9°	111.0°
C1	C3	N1	110.9°	109.3°
C1	C3	C11	109.3°	110.3°
C3	C1	H2	109.6°	109.0°
C3	C1	H3	109.6°	109.0°
C1	C3	H6	110.0°	109.8°
C27	N4	C23	118.7°	115.1°
N4	C27	H39	110.9°	109.7°
C27	N4	H38	120.6°	122.5°
N4	C23	C22	114.3°	118.6°
N4	C23	O5	125.8°	120.7°
C23	N4	H38	120.6°	122.4°
C30	C29	C32	119.4°	120.1°
C29	C30	C31	119.5°	120.1°
C29	C30	H42	120.3°	120.0°
C29	C32	C33	118.7°	120.0°
C29	C32	H44	120.6°	120.0°
N1	C3	C11	105.3°	109.2°
C3	N1	H1	108.9°	111.0°
N1	C3	H6	110.9°	109.0°
C3	C11	O4	109.6°	120.2°
C3	C11	O2	128.7°	119.9°
C11	C3	H6	110.3°	109.2°
C26	C24	C22	113.1°	109.5°
C26	C24	H31	108.2°	109.4°
C24	C26	H35	109.5°	109.5°
C24	C26	H36	109.5°	109.5°
C24	C26	H37	109.5°	109.4°
C30	C31	C34	121.7°	120.1°
C30	C31	H43	119.2°	120.0°
C31	C30	H42	120.2°	119.9°
C24	C22	C23	112.6°	109.7°
C24	C22	N3	112.1°	109.6°
C24	C22	H30	107.6°	109.7°
C22	C24	H31	108.3°	109.5°
C23	C22	N3	108.9°	108.6°
C22	C23	O5	119.8°	120.8°
C23	C22	H30	107.3°	109.6°
C22	N3	C5	117.6°	116.5°
N3	C22	H30	108.2°	109.6°
C22	N3	H29	121.2°	121.7°
O1	C5	N3	122.6°	120.3°
O1	C5	C6	121.7°	120.3°
C32	C33	C34	122.6°	119.9°
C32	C33	O6	119.3°	120.1°
C33	C32	H44	120.7°	120.1°
C31	C34	C33	117.9°	119.9°
C34	C31	H43	119.1°	119.9°
C31	C34	H45	121.1°	120.0°
C34	C33	O6	118.0°	120.1°
C33	C34	H45	121.0°	120.0°
C33	O6	H46	109.5°	114.0°
O4	C11	O2	121.8°	119.9°
C11	O4	C12	111.5°	117.6°
N3	C5	C6	115.6°	119.3°
C5	N3	H29	121.2°	121.8°
C5	C6	C7	107.8°	109.4°
C5	C6	C8	111.9°	109.4°
C5	C6	H9	107.8°	109.5°
O4	C12	C13	115.0°	111.0°
O4	C12	H18	108.1°	109.2°
O4	C12	H19	108.1°	109.1°
C7	C6	C8	113.5°	109.4°
C7	C6	H9	107.9°	109.5°
C6	C7	H10	109.5°	109.5°
C6	C7	H11	109.5°	109.4°
C6	C7	H12	109.5°	109.5°
C6	C8	C9	108.2°	109.4°
C6	C8	O3	108.8°	109.5°
C8	C6	H9	107.8°	109.6°
C6	C8	H13	109.3°	109.5°
C12	C13	C14	120.9°	120.8°
C12	C13	C18	119.3°	119.3°
C13	C12	H18	108.1°	109.1°
C13	C12	H19	108.1°	109.2°
C13	C14	C15	123.9°	119.9°
C14	C13	C18	119.8°	119.9°
C13	C14	H20	118.1°	120.1°
C14	C15	C19	117.9°	120.7°
C14	C15	C16	117.2°	119.8°
C15	C14	H20	118.1°	120.1°
C8	C9	C10	109.4°	109.3°
C9	C8	O3	110.5°	109.5°
C9	C8	H13	109.3°	109.5°
C8	C9	H14	109.5°	109.5°
C8	C9	H15	109.5°	109.5°
C9	C10	C20	116.6°	109.7°
C10	C9	H14	109.5°	109.5°
C10	C9	H15	109.5°	109.6°
C9	C10	H16	107.7°	109.5°
C9	C10	H17	107.7°	109.4°
C13	C18	C17	115.4°	120.5°
C13	C18	H23	122.3°	119.8°
C8	O3	C21	119.9°	114.0°
O3	C8	H13	110.7°	109.5°
O3	C21	H26	109.5°	109.5°
O3	C21	H27	109.4°	109.5°
O3	C21	H28	109.4°	109.5°
C15	C19	C20	122.2°	121.0°
C19	C15	C16	124.7°	119.5°
C15	C19	H24	118.9°	119.7°
C19	C20	C10	127.0°	119.5°
C20	C19	H24	118.9°	119.3°
C19	C20	H25	116.5°	120.1°
C15	C16	C17	119.5°	119.9°
C15	C16	H21	120.2°	120.1°
C20	C10	H16	107.7°	109.4°
C20	C10	H17	107.7°	109.4°
C10	C20	H25	116.5°	120.4°
C18	C17	C16	124.0°	120.1°
C18	C17	H22	118.0°	120.0°
C17	C18	H23	122.3°	119.7°
C17	C16	H21	120.2°	120.1°
C16	C17	H22	118.0°	120.0°
H2	C1	H3	109.5°	108.9°
H4	C2	H5	109.5°	109.7°
H40	C28	H41	109.5°	109.4°
H7	C4	H8	109.5°	109.1°
H32	C25	H33	109.4°	109.5°
H32	C25	H34	109.5°	109.5°
H33	C25	H34	109.5°	109.5°
H35	C26	H36	109.5°	109.5°
H35	C26	H37	109.5°	109.5°
H36	C26	H37	109.5°	109.4°
H10	C7	H11	109.5°	109.5°
H10	C7	H12	109.5°	109.5°
H11	C7	H12	109.5°	109.5°
H14	C9	H15	109.5°	109.5°
H16	C10	H17	109.5°	109.3°
H18	C12	H19	109.5°	109.1°
H26	C21	H27	109.5°	109.5°
H26	C21	H28	109.5°	109.4°
H27	C21	H28	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O7	C35	N2	C2	0.0°	168.9°
O7	C35	N2	C27	176.4°	180.0°
O7	C35	C27	C28	84.4°	82.8°
O7	C35	N2	N1	179.6°	10.5°
O7	C35	C27	N4	34.9°	36.9°
O7	C35	C27	H39	157.4°	156.6°
C2	C4	C1	H7	120.2°	120.4°
C2	C4	C1	H8	120.2°	120.4°
C4	C2	N2	H4	119.4°	119.7°
C4	C2	N2	H5	119.4°	119.7°
C4	C2	N2	C35	119.2°	158.2°
C4	C2	N2	N1	60.5°	21.2°
C2	C4	C1	C3	55.9°	31.2°
C2	C4	C1	H2	175.8°	151.8°
C2	C4	C1	H3	64.0°	89.4°
C4	C2	H4	H5	121.8°	120.6°
C2	C4	H7	H8	119.3°	119.3°
C1	C4	C2	N2	57.2°	57.4°
C4	C1	C3	H2	119.9°	120.6°
C4	C1	C3	H3	119.9°	120.6°
C4	C1	C3	N1	53.5°	28.3°
C4	C1	C3	C11	169.2°	148.3°
C4	C1	H2	H3	120.3°	118.8°
C1	C4	C2	H4	62.2°	62.3°
C1	C4	C2	H5	176.6°	177.1°
C4	C1	C3	H6	69.5°	91.2°
C1	C4	H7	H8	119.4°	119.2°
C2	N2	C35	N1	179.7°	179.4°
C2	N2	C35	C27	176.5°	11.1°
C2	N2	N1	C3	61.5°	40.2°
C2	N2	N1	H1	58.8°	83.0°
N2	C2	H4	H5	121.8°	120.5°
N2	C2	C4	H7	63.0°	63.0°
N2	C2	C4	H8	177.4°	177.7°
N2	C35	C27	C28	91.9°	97.1°
N2	C35	C27	N4	148.8°	143.2°
C35	N2	N1	C3	118.2°	140.3°
C35	N2	N1	H1	121.5°	96.5°
C35	N2	C2	H4	121.4°	82.1°
C35	N2	C2	H5	0.2°	38.5°
N2	C35	C27	H39	26.2°	23.5°
C35	C27	C28	N4	119.5°	118.8°
C35	C27	C28	H39	118.2°	120.6°
C35	C27	C28	C29	165.1°	176.3°
C27	C35	N2	N1	3.2°	169.5°
C35	C27	N4	H39	121.8°	119.7°
C35	C27	N4	C23	92.8°	94.0°
C35	C27	C28	H40	74.2°	63.7°
C35	C27	C28	H41	44.4°	56.2°
C35	C27	N4	H38	87.2°	86.0°
C25	C24	C26	C22	122.6°	120.1°
C25	C24	C26	H31	117.4°	120.0°
C25	C24	C22	H31	118.0°	120.0°
C25	C24	C22	C23	57.3°	177.6°
C25	C24	C22	N3	179.5°	63.2°
C25	C24	C22	H30	60.7°	57.2°
C24	C25	H32	H33	120.0°	120.0°
C24	C25	H32	H34	120.0°	120.0°
C24	C25	H33	H34	120.0°	120.0°
C25	C24	C26	H35	180.0°	152.9°
C25	C24	C26	H36	60.0°	32.8°
C25	C24	C26	H37	60.0°	87.2°
C27	C28	C29	H40	120.7°	120.0°
C27	C28	C29	H41	120.7°	120.0°
C28	C27	N4	H39	121.5°	120.6°
C28	C27	N4	C23	150.4°	146.3°
C27	C28	C29	C30	71.6°	90.0°
C27	C28	C29	C32	109.3°	90.3°
C27	C28	H40	H41	117.7°	120.0°
C28	C27	N4	H38	29.6°	33.6°
C29	C28	C27	N4	75.4°	65.0°
C28	C29	C30	C32	179.0°	179.7°
C28	C29	C30	C31	178.1°	180.0°
C28	C29	C32	C33	178.5°	180.0°
C29	C28	C27	H39	46.9°	55.6°
C28	C29	C30	H42	1.9°	0.1°
C29	C28	H40	H41	117.7°	120.0°
C28	C29	C32	H44	1.5°	0.1°
N2	N1	C3	C1	55.3°	66.6°
N2	N1	C3	H1	120.3°	123.2°
N2	N1	C3	C11	173.4°	172.7°
N1	N2	C2	H4	58.9°	98.5°
N1	N2	C2	H5	179.9°	140.9°
N2	N1	C3	H6	67.2°	53.4°
C1	C3	N1	C11	118.1°	120.7°
C1	C3	N1	H6	122.5°	120.0°
C1	C3	C11	H6	121.1°	120.8°
C1	C3	C11	O4	116.8°	141.9°
C1	C3	C11	O2	62.1°	38.1°
C1	C3	N1	H1	65.0°	56.6°
C3	C1	H2	H3	120.3°	118.8°
C3	C1	C4	H7	64.3°	89.3°
C3	C1	C4	H8	176.1°	151.5°
C27	N4	C23	H38	180.0°	180.0°
C27	N4	C23	C22	175.9°	178.2°
C27	N4	C23	O5	0.3°	1.9°
N4	C27	C28	H40	45.4°	55.0°
N4	C27	C28	H41	163.9°	175.0°
N4	C23	C22	C24	123.4°	33.8°
N4	C23	C22	O5	176.4°	180.0°
N4	C23	C22	N3	111.7°	153.5°
C23	N4	C27	H39	28.9°	25.7°
N4	C23	C22	H30	5.2°	86.8°
C29	C30	C31	H42	180.0°	180.0°
C30	C29	C32	C33	0.6°	0.2°
C29	C30	C31	C34	3.2°	0.0°
C29	C30	C31	H43	176.8°	179.9°
C30	C29	C28	H40	49.1°	30.0°
C30	C29	C28	H41	167.6°	150.0°
C30	C29	C32	H44	179.4°	179.7°
C32	C29	C30	C31	1.0°	0.2°
C29	C32	C33	H44	180.0°	179.9°
C29	C32	C33	C34	2.4°	0.1°
C29	C32	C33	O6	179.7°	180.0°
C32	C29	C30	H42	179.1°	179.8°
C32	C29	C28	H40	130.0°	149.7°
C32	C29	C28	H41	11.4°	29.8°
N1	C3	C11	H6	119.7°	119.1°
N1	C3	C11	O4	124.0°	98.0°
N1	C3	C11	O2	57.0°	82.0°
N1	C3	C1	H2	173.4°	92.3°
N1	C3	C1	H3	66.4°	148.9°
C3	C11	O4	O2	179.0°	180.0°
C3	C11	O4	C12	179.7°	175.9°
C11	C3	N1	H1	53.1°	64.1°
C11	C3	C1	H2	70.9°	27.7°
C11	C3	C1	H3	49.3°	91.1°
C26	C24	C22	H31	119.9°	119.9°
C26	C24	C22	C23	179.4°	62.3°
C26	C24	C22	N3	57.4°	56.8°
C26	C24	C22	H30	61.4°	177.2°
C26	C24	C25	H32	180.0°	76.1°
C26	C24	C25	H33	60.0°	43.9°
C26	C24	C25	H34	60.0°	163.9°
C24	C26	H35	H36	120.0°	120.0°
C24	C26	H35	H37	120.0°	120.0°
C24	C26	H36	H37	120.0°	119.9°
C30	C31	C34	H43	180.0°	179.9°
C30	C31	C34	C33	4.8°	0.3°
C30	C31	C34	H45	175.2°	180.0°
C24	C22	C23	N3	124.9°	119.8°
C24	C22	C23	H30	118.2°	120.5°
C24	C22	N3	H30	118.5°	120.5°
C24	C22	C23	O5	60.2°	146.2°
C24	C22	N3	C5	141.8°	6.4°
C22	C24	C25	H32	55.5°	43.9°
C22	C24	C25	H33	64.5°	163.9°
C22	C24	C25	H34	175.5°	76.1°
C24	C22	N3	H29	38.2°	173.6°
C22	C24	C26	H35	57.3°	87.1°
C22	C24	C26	H36	177.4°	152.8°
C22	C24	C26	H37	62.7°	32.9°
C23	C22	N3	H30	116.3°	119.7°
C23	C22	N3	C5	92.9°	126.1°
C23	C22	C24	H31	60.7°	57.6°
C22	C23	N4	H38	4.1°	1.9°
C23	C22	N3	H29	87.1°	53.8°
C22	N3	C5	O1	1.6°	1.8°
N3	C22	C23	O5	64.7°	26.5°
C22	N3	C5	H29	180.0°	179.9°
C22	N3	C5	C6	178.1°	178.3°
N3	C22	C24	H31	62.5°	176.7°
O1	C5	N3	C6	176.5°	179.9°
O1	C5	C6	C7	99.5°	78.7°
O1	C5	C6	C8	135.0°	41.1°
O1	C5	N3	H29	178.4°	178.1°
O1	C5	C6	H9	16.7°	161.3°
O5	C23	C22	H30	178.4°	93.2°
O5	C23	N4	H38	179.7°	178.1°
C32	C33	C34	C31	4.4°	0.3°
C32	C33	C34	O6	177.4°	179.9°
C32	C33	C34	H45	175.6°	180.0°
C32	C33	O6	H46	180.0°	90.0°
C31	C34	C33	H45	180.0°	179.7°
C31	C34	C33	O6	178.1°	179.7°
C34	C31	C30	H42	176.8°	179.9°
C33	C34	C31	H43	175.2°	179.8°
C34	C33	C32	H44	177.6°	180.0°
C34	C33	O6	H46	2.5°	90.0°
O6	C33	C34	H45	1.8°	0.0°
O6	C33	C32	H44	0.2°	0.1°
C11	O4	C12	C13	78.9°	161.2°
O4	C11	C3	H6	4.3°	21.1°
C11	O4	C12	H18	160.3°	78.4°
C11	O4	C12	H19	42.0°	40.8°
O2	C11	O4	C12	1.3°	4.1°
O2	C11	C3	H6	176.7°	158.9°
N3	C5	C6	C7	84.0°	101.3°
N3	C5	C6	C8	41.4°	138.8°
C5	N3	C22	H30	23.4°	114.1°
N3	C5	C6	H9	159.8°	18.7°
C5	C6	C7	C8	124.5°	119.9°
C5	C6	C7	H9	116.2°	120.0°
C5	C6	C8	H9	118.4°	120.1°
C5	C6	C8	C9	53.1°	138.8°
C5	C6	C8	O3	67.0°	18.8°
C6	C5	N3	H29	1.9°	1.8°
C5	C6	C7	H10	180.0°	60.0°
C5	C6	C7	H11	60.0°	180.0°
C5	C6	C7	H12	60.0°	60.0°
C5	C6	C8	H13	172.0°	101.2°
O4	C12	C13	H18	120.8°	120.4°
O4	C12	C13	H19	120.8°	120.4°
O4	C12	C13	C14	20.8°	43.1°
O4	C12	C13	C18	158.1°	137.6°
O4	C12	H18	H19	117.5°	119.2°
C7	C6	C8	H9	119.4°	120.0°
C7	C6	C8	C9	175.3°	101.3°
C7	C6	C8	O3	55.2°	138.7°
C6	C7	H10	H11	120.0°	119.9°
C6	C7	H10	H12	120.0°	120.0°
C6	C7	H11	H12	120.0°	120.0°
C7	C6	C8	H13	65.7°	18.7°
C6	C8	C9	O3	119.0°	119.9°
C6	C8	C9	H13	119.0°	120.0°
C6	C8	C9	C10	127.8°	177.2°
C6	C8	O3	H13	120.1°	120.1°
C6	C8	O3	C21	165.3°	129.7°
C8	C6	C7	H10	55.5°	180.0°
C8	C6	C7	H11	64.5°	60.1°
C8	C6	C7	H12	175.5°	59.9°
C6	C8	C9	H14	7.9°	62.9°
C6	C8	C9	H15	112.2°	57.2°
C12	C13	C14	C18	178.8°	179.3°
C12	C13	C14	C15	178.1°	179.5°
C12	C13	C18	C17	179.8°	179.9°
C13	C12	H18	H19	117.5°	119.2°
C12	C13	C14	H20	2.0°	0.4°
C12	C13	C18	H23	0.2°	0.1°
C13	C14	C15	H20	180.0°	179.9°
C13	C14	C15	C19	179.7°	179.8°
C13	C14	C15	C16	3.7°	0.4°
C14	C13	C18	C17	1.0°	0.6°
C14	C13	C12	H18	100.1°	77.3°
C14	C13	C12	H19	141.6°	163.5°
C14	C13	C18	H23	179.1°	179.4°
C15	C14	C13	C18	3.1°	0.2°
C14	C15	C19	C16	175.6°	179.8°
C14	C15	C19	C20	179.0°	7.1°
C14	C15	C16	C17	2.3°	0.5°
C14	C15	C16	H21	177.7°	179.6°
C14	C15	C19	H24	1.0°	172.3°
C8	C9	C10	H14	120.0°	119.9°
C8	C9	C10	H15	120.0°	120.0°
C9	C8	O3	H13	121.2°	120.1°
C9	C8	O3	C21	76.0°	110.4°
C8	C9	C10	C20	152.3°	104.0°
C9	C8	C6	H9	65.3°	18.7°
C8	C9	H14	H15	120.0°	120.1°
C8	C9	C10	H16	31.3°	16.2°
C8	C9	C10	H17	86.6°	136.0°
C10	C9	C8	O3	113.2°	57.3°
C9	C10	C20	C19	44.9°	135.8°
C9	C10	C20	H16	121.0°	120.1°
C9	C10	C20	H17	121.0°	120.1°
C10	C9	C8	H13	8.9°	62.8°
C10	C9	H14	H15	120.0°	120.2°
C9	C10	H16	H17	116.8°	119.9°
C9	C10	C20	H25	135.1°	44.0°
C13	C18	C17	H23	180.0°	180.0°
C13	C18	C17	C16	0.3°	0.5°
C18	C13	C12	H18	81.1°	102.0°
C18	C13	C12	H19	37.3°	17.2°
C18	C13	C14	H20	176.8°	179.7°
C13	C18	C17	H22	179.7°	179.5°
O3	C8	C6	H9	174.6°	101.2°
O3	C8	C9	H14	126.9°	177.2°
O3	C8	C9	H15	6.9°	62.7°
C8	O3	C21	H26	180.0°	170.6°
C8	O3	C21	H27	60.0°	50.6°
C8	O3	C21	H28	60.0°	69.5°
C21	O3	C8	H13	45.2°	9.7°
O3	C21	H26	H27	120.0°	120.0°
O3	C21	H26	H28	120.0°	119.9°
O3	C21	H27	H28	120.0°	120.0°
C15	C19	C20	H24	180.0°	179.4°
C15	C19	C20	C10	176.4°	179.7°
C19	C15	C16	C17	177.9°	179.6°
C19	C15	C14	H20	0.3°	0.1°
C19	C15	C16	H21	2.1°	0.3°
C15	C19	C20	H25	3.7°	0.5°
C20	C19	C15	C16	5.4°	172.8°
C19	C20	C10	H25	180.0°	179.8°
C19	C20	C10	H16	165.9°	104.1°
C19	C20	C10	H17	76.2°	15.7°
C15	C16	C17	C18	0.4°	0.1°
C15	C16	C17	H21	180.0°	179.9°
C16	C15	C14	H20	176.2°	179.7°
C15	C16	C17	H22	179.6°	179.9°
C16	C15	C19	H24	174.6°	7.9°
C20	C10	C9	H14	87.7°	136.1°
C20	C10	C9	H15	32.3°	16.0°
C20	C10	H16	H17	116.8°	119.8°
C10	C20	C19	H24	3.6°	0.3°
C18	C17	C16	H22	180.0°	180.0°
C18	C17	C16	H21	179.7°	180.0°
C16	C17	C18	H23	179.7°	179.6°
H1	N1	C3	H6	172.4°	176.6°
H2	C1	C3	H6	50.3°	148.2°
H2	C1	C4	H7	55.6°	31.4°
H2	C1	C4	H8	64.0°	87.8°
H3	C1	C3	H6	170.6°	29.4°
H3	C1	C4	H7	175.8°	150.1°
H3	C1	C4	H8	56.2°	30.9°
H4	C2	C4	H7	177.6°	177.3°
H4	C2	C4	H8	58.0°	58.0°
H5	C2	C4	H7	56.4°	56.7°
H5	C2	C4	H8	63.2°	62.6°
H43	C31	C34	H45	4.8°	0.1°
H43	C31	C30	H42	3.2°	0.0°
H39	C27	C28	H40	167.7°	175.6°
H39	C27	C28	H41	73.8°	64.4°
H39	C27	N4	H38	151.1°	154.2°
H30	C22	C24	H31	178.7°	62.9°
H30	C22	N3	H29	156.6°	65.9°
H31	C24	C25	H32	62.6°	164.0°
H31	C24	C25	H33	177.4°	76.0°
H31	C24	C25	H34	57.4°	44.0°
H31	C24	C26	H35	62.6°	32.9°
H31	C24	C26	H36	57.4°	87.2°
H31	C24	C26	H37	177.4°	152.9°
H32	C25	H33	H34	120.0°	120.0°
H35	C26	H36	H37	120.0°	120.0°
H9	C6	C7	H10	63.9°	59.9°
H9	C6	C7	H11	176.1°	60.0°
H9	C6	C7	H12	56.1°	NaN°
H9	C6	C8	H13	53.7°	138.7°
H10	C7	H11	H12	120.0°	120.0°
H13	C8	C9	H14	111.1°	57.1°
H13	C8	C9	H15	128.9°	177.2°
H14	C9	C10	H16	151.3°	103.7°
H14	C9	C10	H17	33.4°	16.1°
H15	C9	C10	H16	88.7°	136.1°
H15	C9	C10	H17	153.4°	104.1°
H16	C10	C20	H25	14.1°	76.1°
H17	C10	C20	H25	103.9°	164.1°
H21	C16	C17	H22	0.3°	0.0°
H22	C17	C18	H23	0.3°	0.5°
H24	C19	C20	H25	176.4°	179.9°
H26	C21	H27	H28	120.0°	120.0°

Release date:	2017-01-25
Last modified:	2017-01-25
Processing site:	RCSB