PRD_000285

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C1	sing	1.47Å	0.00Å
N1	H1	sing	1.01Å	0.00Å
N1	H2	sing	1.01Å	0.00Å
C1	C2	sing	1.51Å	0.00Å
C1	C3	sing	1.53Å	0.00Å
C1	H3	sing	1.09Å	0.00Å
C2	O1	doub	1.21Å	0.00Å
C3	C4	sing	1.51Å	0.00Å
C3	H4	sing	1.09Å	0.00Å
C3	H5	sing	1.09Å	0.00Å
C4	C5	doub	1.34Å	0.00Å	Aromatic
C4	C6	sing	1.46Å	0.00Å	Aromatic
C5	N2	sing	1.37Å	0.00Å	Aromatic
C5	H6	sing	1.08Å	0.00Å
C6	C7	doub	1.41Å	0.00Å	Aromatic
C6	C8	sing	1.40Å	0.00Å	Aromatic
N2	C7	sing	1.38Å	0.00Å	Aromatic
N2	H7	sing	0.97Å	0.00Å
C7	C9	sing	1.39Å	0.00Å	Aromatic
C8	C10	doub	1.37Å	0.00Å	Aromatic
C8	H8	sing	1.08Å	0.00Å
C9	C11	doub	1.38Å	0.00Å	Aromatic
C9	H9	sing	1.08Å	0.00Å
C10	C11	sing	1.39Å	0.00Å	Aromatic
C10	H10	sing	1.08Å	0.00Å
C11	H11	sing	1.08Å	0.00Å
N3	C12	sing	1.47Å	1.48Å
N3	H12	sing	0.97Å	1.00Å
C12	C13	sing	1.51Å	1.54Å
C12	C14	sing	1.53Å	1.54Å
C12	H13	sing	1.09Å	1.10Å
C13	O2	doub	1.21Å	1.23Å
C14	C15	sing	1.51Å	1.52Å
C14	H14	sing	1.09Å	1.10Å
C14	H15	sing	1.09Å	1.10Å
C15	C16	doub	1.38Å	1.40Å	Aromatic
C15	C17	sing	1.38Å	1.41Å	Aromatic
C16	C18	sing	1.38Å	1.36Å	Aromatic
C16	H16	sing	1.08Å	1.08Å
C17	C19	doub	1.38Å	1.37Å	Aromatic
C17	H17	sing	1.08Å	1.08Å
C18	C20	doub	1.39Å	1.37Å	Aromatic
C18	H18	sing	1.08Å	1.08Å
C19	C20	sing	1.39Å	1.37Å	Aromatic
C19	H19	sing	1.08Å	1.08Å
C20	O3	sing	1.36Å	1.36Å
O3	H20	sing	0.97Å	0.95Å
N4	C21	sing	1.46Å	1.47Å
N4	H21	sing	0.97Å	1.00Å
C21	C22	sing	1.51Å	1.51Å
C21	C23	sing	1.53Å	1.51Å
C21	H22	sing	1.09Å	1.10Å
C22	O4	doub	1.21Å	1.19Å
C23	O5	sing	1.43Å	1.42Å
C23	C24	sing	1.53Å	1.49Å
C23	H23	sing	1.09Å	1.10Å
O5	H24	sing	0.97Å	0.95Å
C24	H25	sing	1.09Å	1.10Å
C24	H26	sing	1.09Å	1.10Å
C24	H27	sing	1.09Å	1.10Å
N5	C25	sing	1.46Å	1.48Å
N5	H28	sing	0.97Å	1.00Å
C25	C26	sing	1.53Å	1.59Å
C25	C27	sing	1.53Å	1.56Å
C25	H29	sing	1.09Å	1.10Å
C26	O6	sing	1.43Å	1.29Å
C26	H30	sing	1.09Å	1.10Å
O6	H31	sing	0.97Å	0.95Å
C27	C28	sing	1.53Å	1.50Å
C27	H32	sing	1.09Å	1.10Å
C27	H33	sing	1.09Å	1.10Å
C28	C29	sing	1.53Å	1.51Å
C28	H34	sing	1.09Å	1.10Å
C28	H35	sing	1.09Å	1.10Å
C29	N6	sing	1.46Å	1.48Å
C29	H36	sing	1.09Å	1.10Å
C29	H37	sing	1.09Å	1.10Å
N6	C30	sing	1.37Å	1.33Å
N6	H38	sing	0.97Å	1.00Å
C30	N7	doub	1.33Å	1.32Å
C30	N8	sing	1.33Å	1.31Å
N7	H39	sing	0.97Å	1.00Å
N8	H40	sing	0.97Å	1.00Å
N8	H41	sing	0.97Å	1.00Å
N7	H42	sing	0.97Å	1.00Å
C31	CL1	sing	1.80Å	15.98Å
C31	H43	sing	1.09Å	1.10Å
C31	H44	sing	1.09Å	1.10Å
C22	N5	sing	1.35Å	1.34Å
C26	C31	sing	1.53Å	1.51Å
C2	N3	sing	1.35Å	22.64Å
C13	N4	sing	1.35Å	1.32Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	H1	90.0°	111.0°
C1	N1	H2	90.0°	110.9°
N1	C1	C2	90.0°	109.5°
N1	C1	C3	90.0°	109.5°
N1	C1	H3	90.0°	109.5°
H1	N1	H2	90.0°	111.1°
C2	C1	C3	90.0°	109.4°
C2	C1	H3	90.0°	109.5°
C1	C2	O1	90.0°	120.0°
C1	C2	N3	90.0°	120.0°
C3	C1	H3	90.0°	109.5°
C1	C3	C4	90.0°	109.5°
C1	C3	H4	90.0°	109.5°
C1	C3	H5	90.0°	109.5°
O1	C2	N3	90.0°	120.0°
C4	C3	H4	90.0°	109.4°
C4	C3	H5	90.0°	109.5°
C3	C4	C5	90.0°	126.5°
C3	C4	C6	90.0°	126.5°
H4	C3	H5	90.0°	109.4°
C5	C4	C6	90.0°	107.0°
C4	C5	N2	90.0°	109.9°
C4	C5	H6	90.0°	125.1°
C4	C6	C7	90.0°	106.0°
C4	C6	C8	90.0°	134.1°
N2	C5	H6	90.0°	125.0°
C5	N2	C7	90.0°	109.9°
C5	N2	H7	90.0°	125.1°
C7	C6	C8	90.0°	119.9°
C6	C7	N2	90.0°	107.2°
C6	C7	C9	90.0°	119.4°
C6	C8	C10	90.0°	119.8°
C6	C8	H8	90.0°	120.1°
C7	N2	H7	90.0°	125.1°
N2	C7	C9	90.0°	133.5°
C7	C9	C11	90.0°	119.7°
C7	C9	H9	90.0°	120.1°
C10	C8	H8	90.0°	120.1°
C8	C10	C11	90.0°	120.6°
C8	C10	H10	90.0°	119.7°
C11	C9	H9	90.0°	120.1°
C9	C11	C10	90.0°	120.7°
C9	C11	H11	90.0°	119.6°
C11	C10	H10	90.0°	119.7°
C10	C11	H11	90.0°	119.7°
C12	N3	H12	154.8°	120.0°
N3	C12	C13	118.6°	109.5°
N3	C12	C14	110.6°	109.5°
N3	C12	H13	106.1°	109.5°
C12	N3	C2	50.5°	120.0°
H12	N3	C2	154.8°	120.0°
C13	C12	C14	109.6°	109.4°
C13	C12	H13	105.5°	109.5°
C12	C13	O2	121.0°	120.0°
C12	C13	N4	116.7°	120.0°
C14	C12	H13	105.5°	109.5°
C12	C14	C15	116.1°	109.5°
C12	C14	H14	107.8°	109.5°
C12	C14	H15	107.8°	109.5°
O2	C13	N4	122.2°	120.0°
C15	C14	H14	107.8°	109.5°
C15	C14	H15	107.8°	109.4°
C14	C15	C16	120.7°	119.9°
C14	C15	C17	120.9°	120.0°
H14	C14	H15	109.5°	109.5°
C16	C15	C17	118.4°	120.1°
C15	C16	C18	120.6°	120.0°
C15	C16	H16	119.7°	120.0°
C15	C17	C19	120.8°	120.1°
C15	C17	H17	119.6°	120.0°
C18	C16	H16	119.7°	120.0°
C16	C18	C20	119.2°	120.0°
C16	C18	H18	120.4°	120.0°
C19	C17	H17	119.6°	120.0°
C17	C19	C20	118.3°	119.9°
C17	C19	H19	120.8°	120.0°
C20	C18	H18	120.4°	120.0°
C18	C20	C19	122.7°	119.9°
C18	C20	O3	119.3°	120.1°
C20	C19	H19	120.8°	120.0°
C19	C20	O3	118.0°	120.0°
C20	O3	H20	109.5°	114.0°
C21	N4	H21	117.3°	120.0°
N4	C21	C22	111.5°	109.5°
N4	C21	C23	105.5°	109.4°
N4	C21	H22	108.3°	109.5°
C21	N4	C13	125.3°	120.0°
H21	N4	C13	117.4°	120.0°
C22	C21	C23	115.7°	109.5°
C22	C21	H22	107.8°	109.5°
C21	C22	O4	119.0°	120.0°
C21	C22	N5	120.0°	120.0°
C23	C21	H22	107.8°	109.4°
C21	C23	O5	108.9°	109.5°
C21	C23	C24	116.3°	109.5°
C21	C23	H23	105.7°	109.5°
O4	C22	N5	120.3°	120.0°
O5	C23	C24	112.5°	109.5°
O5	C23	H23	106.8°	109.4°
C23	O5	H24	109.5°	114.0°
C24	C23	H23	106.0°	109.5°
C23	C24	H25	109.5°	109.4°
C23	C24	H26	109.5°	109.5°
C23	C24	H27	109.5°	109.4°
H25	C24	H26	109.4°	109.5°
H25	C24	H27	109.5°	109.5°
H26	C24	H27	109.5°	109.5°
C25	N5	H28	117.3°	120.0°
N5	C25	C26	113.0°	109.5°
N5	C25	C27	111.7°	109.5°
N5	C25	H29	109.6°	109.5°
C25	N5	C22	125.4°	120.0°
H28	N5	C22	117.3°	120.0°
C26	C25	C27	105.5°	109.5°
C26	C25	H29	108.3°	109.4°
C25	C26	O6	118.8°	109.5°
C25	C26	H30	99.5°	109.4°
C25	C26	C31	124.2°	109.5°
C27	C25	H29	108.6°	109.5°
C25	C27	C28	116.3°	109.5°
C25	C27	H32	107.7°	109.5°
C25	C27	H33	107.8°	109.5°
O6	C26	H30	101.6°	109.4°
C26	O6	H31	109.5°	114.0°
O6	C26	C31	107.6°	109.5°
H30	C26	C31	99.9°	109.5°
C28	C27	H32	107.8°	109.5°
C28	C27	H33	107.7°	109.5°
C27	C28	C29	113.4°	109.5°
C27	C28	H34	108.5°	109.5°
C27	C28	H35	108.5°	109.4°
H32	C27	H33	109.5°	109.4°
C29	C28	H34	108.5°	109.5°
C29	C28	H35	108.5°	109.4°
C28	C29	N6	113.3°	109.5°
C28	C29	H36	108.5°	109.5°
C28	C29	H37	108.5°	109.4°
H34	C28	H35	109.5°	109.5°
N6	C29	H36	108.5°	109.5°
N6	C29	H37	108.5°	109.5°
C29	N6	C30	123.8°	120.0°
C29	N6	H38	118.1°	120.0°
H36	C29	H37	109.5°	109.4°
C30	N6	H38	118.1°	120.0°
N6	C30	N7	120.0°	120.0°
N6	C30	N8	120.8°	120.0°
N7	C30	N8	119.3°	119.9°
C30	N7	H39	120.0°	120.0°
C30	N7	H42	120.0°	120.0°
C30	N8	H40	120.0°	119.9°
C30	N8	H41	120.0°	120.0°
H39	N7	H42	120.0°	120.0°
H40	N8	H41	120.0°	120.1°
CL1	C31	H43	119.4°	109.5°
CL1	C31	H44	119.5°	109.5°
CL1	C31	C26	63.3°	109.5°
H43	C31	H44	109.5°	109.4°
H43	C31	C26	119.4°	109.5°
H44	C31	C26	119.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	H1	H2	90.0°	123.9°
N1	C1	C2	C3	90.0°	120.0°
N1	C1	C2	H3	90.0°	120.0°
N1	C1	C3	H3	90.0°	120.1°
N1	C1	C2	O1	90.0°	19.9°
N1	C1	C3	C4	90.0°	65.0°
N1	C1	C3	H4	90.0°	175.0°
N1	C1	C3	H5	90.0°	55.0°
N1	C1	C2	N3	90.0°	160.0°
H1	N1	C1	C2	90.0°	60.0°
H1	N1	C1	C3	90.0°	60.0°
H1	N1	C1	H3	90.0°	180.0°
H2	N1	C1	C2	90.0°	64.0°
H2	N1	C1	C3	90.0°	176.1°
H2	N1	C1	H3	90.0°	56.0°
C2	C1	C3	H3	90.0°	120.0°
C1	C2	O1	N3	90.0°	179.9°
C2	C1	C3	C4	90.0°	175.0°
C2	C1	C3	H4	90.0°	55.0°
C2	C1	C3	H5	90.0°	64.9°
C1	C2	N3	C12	90.0°	180.0°
C1	C2	N3	H12	90.0°	0.1°
C3	C1	C2	O1	90.0°	100.0°
C1	C3	C4	H4	90.0°	120.0°
C1	C3	C4	H5	90.0°	120.1°
C1	C3	H4	H5	90.0°	120.0°
C1	C3	C4	C5	90.0°	95.0°
C1	C3	C4	C6	90.0°	84.7°
C3	C1	C2	N3	90.0°	80.1°
H3	C1	C2	O1	90.0°	140.0°
H3	C1	C3	C4	90.0°	55.0°
H3	C1	C3	H4	90.0°	64.9°
H3	C1	C3	H5	90.0°	175.1°
H3	C1	C2	N3	90.0°	39.9°
O1	C2	N3	C12	90.0°	0.1°
O1	C2	N3	H12	90.0°	180.0°
C4	C3	H4	H5	90.0°	120.0°
C3	C4	C5	C6	90.0°	179.7°
C3	C4	C5	N2	90.0°	180.0°
C3	C4	C5	H6	90.0°	0.1°
C3	C4	C6	C7	90.0°	180.0°
C3	C4	C6	C8	90.0°	0.1°
H4	C3	C4	C5	90.0°	145.1°
H4	C3	C4	C6	90.0°	35.3°
H5	C3	C4	C5	90.0°	25.1°
H5	C3	C4	C6	90.0°	155.3°
C4	C5	N2	H6	90.0°	180.0°
C5	C4	C6	C7	90.0°	0.3°
C5	C4	C6	C8	90.0°	179.8°
C4	C5	N2	C7	90.0°	0.2°
C4	C5	N2	H7	90.0°	180.0°
C6	C4	C5	N2	90.0°	0.3°
C6	C4	C5	H6	90.0°	179.8°
C4	C6	C7	C8	90.0°	180.0°
C4	C6	C7	N2	90.0°	0.2°
C4	C6	C7	C9	90.0°	180.0°
C4	C6	C8	C10	90.0°	179.9°
C4	C6	C8	H8	90.0°	0.1°
C5	N2	C7	C6	90.0°	0.0°
C5	N2	C7	H7	90.0°	179.9°
C5	N2	C7	C9	90.0°	179.8°
H6	C5	N2	C7	90.0°	179.9°
H6	C5	N2	H7	90.0°	0.0°
C6	C7	N2	C9	90.0°	179.8°
C6	C7	N2	H7	90.0°	179.8°
C7	C6	C8	C10	90.0°	0.0°
C7	C6	C8	H8	90.0°	180.0°
C6	C7	C9	C11	90.0°	0.0°
C6	C7	C9	H9	90.0°	180.0°
C8	C6	C7	N2	90.0°	179.9°
C8	C6	C7	C9	90.0°	0.0°
C6	C8	C10	H8	90.0°	180.0°
C6	C8	C10	C11	90.0°	0.1°
C6	C8	C10	H10	90.0°	180.0°
N2	C7	C9	C11	90.0°	179.8°
N2	C7	C9	H9	90.0°	0.2°
H7	N2	C7	C9	90.0°	0.0°
C7	C9	C11	H9	90.0°	180.0°
C7	C9	C11	C10	90.0°	0.1°
C7	C9	C11	H11	90.0°	180.0°
C8	C10	C11	C9	90.0°	0.1°
C8	C10	C11	H10	90.0°	179.9°
C8	C10	C11	H11	90.0°	180.0°
H8	C8	C10	C11	90.0°	179.9°
H8	C8	C10	H10	90.0°	0.0°
C9	C11	C10	H11	90.0°	179.9°
C9	C11	C10	H10	90.0°	180.0°
H9	C9	C11	C10	90.0°	179.9°
H9	C9	C11	H11	90.0°	0.0°
H10	C10	C11	H11	90.0°	0.1°
C12	N3	H12	C2	179.9°	179.9°
N3	C12	C13	C14	128.3°	120.0°
N3	C12	C13	H13	118.6°	120.0°
N3	C12	C14	H13	114.3°	120.1°
N3	C12	C13	O2	171.3°	0.0°
N3	C12	C14	C15	30.2°	65.1°
N3	C12	C14	H14	151.2°	55.0°
N3	C12	C14	H15	90.7°	175.0°
N3	C12	C13	N4	13.1°	180.0°
H12	N3	C12	C13	114.2°	25.0°
H12	N3	C12	C14	13.6°	94.9°
H12	N3	C12	H13	127.5°	145.0°
C13	C12	C14	H13	113.1°	120.0°
C12	C13	O2	N4	175.3°	180.0°
C13	C12	C14	C15	102.3°	175.0°
C13	C12	C14	H14	18.7°	65.0°
C13	C12	C14	H15	136.8°	55.0°
C12	C13	N4	C21	168.9°	180.0°
C12	C13	N4	H21	11.1°	0.1°
C13	C12	N3	C2	65.8°	155.1°
C14	C12	C13	O2	43.1°	120.0°
C12	C14	C15	H14	121.0°	120.0°
C12	C14	C15	H15	121.0°	120.0°
C12	C14	H14	H15	117.0°	120.0°
C12	C14	C15	C16	147.0°	90.0°
C12	C14	C15	C17	34.0°	90.2°
C14	C12	N3	C2	166.4°	85.0°
C14	C12	C13	N4	141.4°	60.0°
H13	C12	C13	O2	70.1°	120.0°
H13	C12	C14	C15	144.6°	55.0°
H13	C12	C14	H14	94.5°	175.0°
H13	C12	C14	H15	23.6°	64.9°
H13	C12	N3	C2	52.4°	35.1°
H13	C12	C13	N4	105.5°	60.0°
O2	C13	N4	C21	6.7°	0.0°
O2	C13	N4	H21	173.4°	179.9°
C15	C14	H14	H15	117.0°	119.9°
C14	C15	C16	C17	179.1°	179.8°
C14	C15	C16	C18	179.1°	180.0°
C14	C15	C16	H16	1.0°	0.0°
C14	C15	C17	C19	178.6°	180.0°
C14	C15	C17	H17	1.4°	0.0°
H14	C14	C15	C16	92.1°	30.1°
H14	C14	C15	C17	87.0°	149.7°
H15	C14	C15	C16	26.0°	150.0°
H15	C14	C15	C17	155.0°	29.7°
C15	C16	C18	H16	180.0°	180.0°
C16	C15	C17	C19	2.3°	0.3°
C16	C15	C17	H17	177.7°	179.8°
C15	C16	C18	C20	0.2°	0.1°
C15	C16	C18	H18	179.8°	180.0°
C17	C15	C16	C18	1.9°	0.2°
C17	C15	C16	H16	178.1°	179.7°
C15	C17	C19	H17	180.0°	179.9°
C15	C17	C19	C20	1.1°	0.0°
C15	C17	C19	H19	178.9°	180.0°
C16	C18	C20	H18	180.0°	180.0°
C16	C18	C20	C19	1.1°	0.3°
C16	C18	C20	O3	177.9°	180.0°
H16	C16	C18	C20	179.8°	180.0°
H16	C16	C18	H18	0.2°	0.0°
C17	C19	C20	C18	0.7°	0.3°
C17	C19	C20	H19	180.0°	180.0°
C17	C19	C20	O3	178.4°	180.0°
H17	C17	C19	C20	178.9°	179.9°
H17	C17	C19	H19	1.1°	0.1°
C18	C20	C19	O3	179.0°	179.7°
C18	C20	C19	H19	179.3°	179.7°
C18	C20	O3	H20	180.0°	89.9°
H18	C18	C20	C19	178.9°	179.7°
H18	C18	C20	O3	2.1°	0.0°
C19	C20	O3	H20	0.9°	89.8°
H19	C19	C20	O3	1.6°	0.0°
C21	N4	H21	C13	180.0°	179.9°
N4	C21	C22	C23	120.5°	120.0°
N4	C21	C22	H22	118.8°	120.1°
N4	C21	C23	H22	115.6°	120.0°
N4	C21	C22	O4	37.6°	23.7°
N4	C21	C23	O5	137.3°	61.1°
N4	C21	C23	C24	94.4°	58.9°
N4	C21	C23	H23	22.8°	178.9°
N4	C21	C22	N5	132.4°	156.3°
H21	N4	C21	C22	107.7°	24.9°
H21	N4	C21	C23	18.7°	95.1°
H21	N4	C21	H22	133.9°	145.0°
C22	C21	C23	H22	120.7°	120.0°
C21	C22	O4	N5	169.9°	180.0°
C22	C21	C23	O5	99.0°	58.9°
C22	C21	C23	C24	29.3°	178.9°
C22	C21	C23	H23	146.6°	61.1°
C21	C22	N5	C25	170.7°	174.6°
C21	C22	N5	H28	9.3°	5.4°
C22	C21	N4	C13	72.3°	155.0°
C23	C21	C22	O4	83.0°	96.2°
C21	C23	O5	C24	130.4°	120.0°
C21	C23	O5	H23	113.7°	120.0°
C21	C23	C24	H23	117.1°	120.0°
C21	C23	O5	H24	180.0°	58.4°
C21	C23	C24	H25	180.0°	66.7°
C21	C23	C24	H26	60.0°	173.4°
C21	C23	C24	H27	60.0°	53.4°
C23	C21	C22	N5	107.1°	83.7°
C23	C21	N4	C13	161.4°	85.0°
H22	C21	C22	O4	156.3°	143.8°
H22	C21	C23	O5	21.7°	178.9°
H22	C21	C23	C24	150.0°	61.1°
H22	C21	C23	H23	92.7°	58.9°
H22	C21	C22	N5	13.7°	36.2°
H22	C21	N4	C13	46.1°	34.9°
O4	C22	N5	C25	0.9°	5.4°
O4	C22	N5	H28	179.1°	174.5°
O5	C23	C24	H23	116.4°	120.0°
O5	C23	C24	H25	53.5°	53.3°
O5	C23	C24	H26	173.5°	66.6°
O5	C23	C24	H27	66.5°	173.4°
C24	C23	O5	H24	49.6°	178.4°
C23	C24	H25	H26	120.0°	119.9°
C23	C24	H25	H27	120.0°	120.0°
C23	C24	H26	H27	120.0°	120.0°
H23	C23	O5	H24	66.3°	61.5°
H23	C23	C24	H25	62.9°	173.3°
H23	C23	C24	H26	57.1°	53.3°
H23	C23	C24	H27	177.1°	66.7°
H25	C24	H26	H27	120.0°	120.1°
C25	N5	H28	C22	180.0°	180.0°
N5	C25	C26	C27	122.3°	120.1°
N5	C25	C26	H29	121.6°	120.0°
N5	C25	C27	H29	121.0°	120.0°
N5	C25	C26	O6	177.2°	174.8°
N5	C25	C26	H30	73.9°	54.9°
N5	C25	C27	C28	65.4°	65.0°
N5	C25	C27	H32	55.6°	55.1°
N5	C25	C27	H33	173.6°	175.0°
N5	C25	C26	C31	35.0°	65.1°
H28	N5	C25	C26	69.5°	90.2°
H28	N5	C25	C27	49.3°	29.8°
H28	N5	C25	H29	169.7°	149.8°
C26	C25	C27	H29	115.9°	120.0°
C25	C26	O6	H30	107.7°	119.9°
C25	C26	O6	C31	147.8°	120.1°
C25	C26	H30	C31	127.4°	120.0°
C25	C26	O6	H31	180.0°	60.0°
C26	C25	C27	C28	171.4°	174.9°
C26	C25	C27	H32	67.6°	65.0°
C26	C25	C27	H33	50.4°	54.9°
C25	C26	C31	CL1	153.4°	174.4°
C25	C26	C31	H43	43.1°	54.4°
C25	C26	C31	H44	96.2°	65.6°
C26	C25	N5	C22	110.5°	89.7°
C27	C25	C26	O6	60.5°	54.8°
C27	C25	C26	H30	48.4°	65.2°
C25	C27	C28	H32	121.0°	120.0°
C25	C27	C28	H33	121.0°	120.0°
C25	C27	H32	H33	116.9°	120.0°
C25	C27	C28	C29	163.9°	180.0°
C25	C27	C28	H34	75.6°	60.0°
C25	C27	C28	H35	43.3°	60.0°
C27	C25	N5	C22	130.7°	150.2°
C27	C25	C26	C31	157.3°	174.8°
H29	C25	C26	O6	55.6°	65.2°
H29	C25	C26	H30	164.5°	174.8°
H29	C25	C27	C28	55.5°	55.0°
H29	C25	C27	H32	176.5°	175.0°
H29	C25	C27	H33	65.5°	65.0°
H29	C25	N5	C22	10.3°	30.2°
H29	C25	C26	C31	86.7°	54.9°
O6	C26	H30	C31	110.5°	120.0°
O6	C26	C31	CL1	7.7°	65.5°
O6	C26	C31	H43	102.6°	174.4°
O6	C26	C31	H44	118.1°	54.5°
H30	C26	O6	H31	72.3°	179.9°
H30	C26	C31	CL1	97.9°	54.4°
H30	C26	C31	H43	151.7°	65.6°
H30	C26	C31	H44	12.5°	174.5°
H31	O6	C26	C31	32.2°	60.1°
C28	C27	H32	H33	116.9°	120.0°
C27	C28	C29	H34	120.6°	120.1°
C27	C28	C29	H35	120.6°	119.9°
C27	C28	H34	H35	118.2°	120.0°
C27	C28	C29	N6	174.2°	180.0°
C27	C28	C29	H36	53.6°	59.9°
C27	C28	C29	H37	65.2°	60.0°
H32	C27	C28	C29	42.9°	60.0°
H32	C27	C28	H34	163.5°	NaN°
H32	C27	C28	H35	77.7°	60.0°
H33	C27	C28	C29	75.1°	60.0°
H33	C27	C28	H34	45.4°	60.0°
H33	C27	C28	H35	164.3°	180.0°
C29	C28	H34	H35	118.2°	120.0°
C28	C29	N6	H36	120.6°	120.0°
C28	C29	N6	H37	120.6°	120.0°
C28	C29	H36	H37	118.3°	120.0°
C28	C29	N6	C30	172.4°	180.0°
C28	C29	N6	H38	7.6°	0.0°
H34	C28	C29	N6	65.2°	60.0°
H34	C28	C29	H36	174.2°	180.0°
H34	C28	C29	H37	55.4°	60.0°
H35	C28	C29	N6	53.6°	60.0°
H35	C28	C29	H36	66.9°	60.0°
H35	C28	C29	H37	174.2°	180.0°
N6	C29	H36	H37	118.2°	120.0°
C29	N6	C30	H38	180.0°	180.0°
C29	N6	C30	N7	2.2°	0.0°
C29	N6	C30	N8	177.8°	180.0°
H36	C29	N6	C30	67.0°	60.0°
H36	C29	N6	H38	113.0°	120.0°
H37	C29	N6	C30	51.8°	60.0°
H37	C29	N6	H38	128.2°	120.0°
N6	C30	N7	N8	180.0°	180.0°
N6	C30	N7	H39	180.0°	0.0°
N6	C30	N8	H40	180.0°	0.0°
N6	C30	N8	H41	0.0°	179.9°
N6	C30	N7	H42	0.0°	179.9°
H38	N6	C30	N7	177.8°	180.0°
H38	N6	C30	N8	2.2°	0.0°
C30	N7	H39	H42	180.0°	179.9°
N7	C30	N8	H40	0.0°	179.9°
N7	C30	N8	H41	180.0°	0.1°
N8	C30	N7	H39	0.0°	180.0°
C30	N8	H40	H41	180.0°	180.0°
N8	C30	N7	H42	180.0°	0.1°
CL1	C31	H43	H44	143.0°	120.1°
CL1	C31	H43	C26	74.1°	120.0°
CL1	C31	H44	C26	74.1°	120.0°
H43	C31	H44	C26	142.9°	120.0°

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