PRD_002331

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	0.97Å	0.00Å
C1	C2	sing	1.51Å	0.00Å
C1	C3	sing	1.53Å	0.00Å
C1	H2	sing	1.09Å	0.00Å
C2	O1	doub	1.21Å	0.00Å
C2	O2	sing	1.34Å	0.00Å
C3	C4	sing	1.51Å	0.00Å
C3	H3	sing	1.09Å	0.00Å
C3	H4	sing	1.09Å	0.00Å
C4	C5	doub	1.38Å	0.00Å	Aromatic
C4	C6	sing	1.38Å	0.00Å	Aromatic
C5	C7	sing	1.38Å	0.00Å	Aromatic
C5	H5	sing	1.08Å	0.00Å
C6	C8	doub	1.38Å	0.00Å	Aromatic
C6	H6	sing	1.08Å	0.00Å
C7	C9	doub	1.38Å	0.00Å	Aromatic
C7	H7	sing	1.08Å	0.00Å
C8	C9	sing	1.38Å	0.00Å	Aromatic
C8	H8	sing	1.08Å	0.00Å
C9	H9	sing	1.08Å	0.00Å
O2	H10	sing	0.97Å	0.00Å
N2	C10	sing	1.39Å	1.43Å
N2	C11	sing	1.47Å	1.45Å
N2	H11	sing	0.97Å	1.00Å
C10	N3	doub	1.30Å	1.43Å
C10	N4	sing	1.39Å	1.43Å
C11	C13	sing	1.53Å	1.53Å
C11	H12	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
N3	H14	sing	0.97Å	1.00Å
C12	C13	sing	1.53Å	1.52Å
C12	N4	sing	1.47Å	1.45Å
C12	C14	sing	1.53Å	1.54Å
C12	H15	sing	1.09Å	1.10Å
C13	H16	sing	1.09Å	1.10Å
C13	H17	sing	1.09Å	1.10Å
N4	H18	sing	0.97Å	1.00Å
N5	C14	sing	1.46Å	1.47Å
N5	H19	sing	0.97Å	1.00Å
C14	C15	sing	1.51Å	1.54Å
C14	H20	sing	1.09Å	1.10Å
C15	O3	doub	1.21Å	1.24Å
C16	O4	doub	1.22Å	0.00Å
N5	C16	sing	1.35Å	26.04Å
N6	C17	sing	1.47Å	1.46Å
N6	H21	sing	0.97Å	1.00Å
C17	C18	sing	1.51Å	1.52Å
C17	C19	sing	1.53Å	1.52Å
C17	H22	sing	1.09Å	1.10Å
C18	O5	doub	1.21Å	1.23Å
C19	C20	sing	1.53Å	1.52Å
C19	H23	sing	1.09Å	1.10Å
C19	H24	sing	1.09Å	1.10Å
C20	C21	sing	1.53Å	1.52Å
C20	C22	sing	1.53Å	1.53Å
C20	H25	sing	1.09Å	1.10Å
C21	H26	sing	1.09Å	1.10Å
C21	H27	sing	1.09Å	1.10Å
C21	H28	sing	1.09Å	1.10Å
C22	H29	sing	1.09Å	1.10Å
C22	H30	sing	1.09Å	1.10Å
C22	H31	sing	1.09Å	1.10Å
N7	C23	sing	1.46Å	1.46Å
N7	H32	sing	0.97Å	1.00Å
C23	C24	sing	1.53Å	1.52Å
C23	C25	sing	1.53Å	1.51Å
C23	H33	sing	1.09Å	1.10Å
C24	O6	sing	1.43Å	1.23Å
C24	H34	sing	1.09Å	1.10Å
C24	H35	sing	1.09Å	1.10Å
O6	H36	sing	0.97Å	0.95Å
C25	C26	sing	1.51Å	1.51Å
C25	H37	sing	1.09Å	1.10Å
C25	H38	sing	1.09Å	1.10Å
C26	C27	doub	1.38Å	1.39Å	Aromatic
C26	C28	sing	1.38Å	1.38Å	Aromatic
C27	C29	sing	1.38Å	1.38Å	Aromatic
C27	H39	sing	1.08Å	1.08Å
C28	C30	doub	1.38Å	1.38Å	Aromatic
C28	H40	sing	1.08Å	1.08Å
C29	C31	doub	1.38Å	1.39Å	Aromatic
C29	H41	sing	1.08Å	1.08Å
C30	C31	sing	1.38Å	1.39Å	Aromatic
C30	H42	sing	1.08Å	1.08Å
C31	H43	sing	1.08Å	1.08Å
N1	C16	sing	1.35Å	0.00Å
C15	N6	sing	1.35Å	1.33Å
C18	N7	sing	1.35Å	1.33Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	H1	90.0°	120.0°
N1	C1	C2	90.0°	109.5°
N1	C1	C3	90.0°	109.4°
N1	C1	H2	90.0°	109.4°
C1	N1	C16	90.0°	120.0°
H1	N1	C16	90.0°	120.0°
C2	C1	C3	90.0°	109.5°
C2	C1	H2	90.0°	109.5°
C1	C2	O1	90.0°	120.0°
C1	C2	O2	90.0°	120.0°
C3	C1	H2	90.0°	109.5°
C1	C3	C4	90.0°	109.4°
C1	C3	H3	90.0°	109.4°
C1	C3	H4	90.0°	109.5°
O1	C2	O2	90.0°	120.0°
C2	O2	H10	90.0°	117.0°
C4	C3	H3	90.0°	109.5°
C4	C3	H4	90.0°	109.5°
C3	C4	C5	90.0°	120.0°
C3	C4	C6	90.0°	120.0°
H3	C3	H4	90.0°	109.5°
C5	C4	C6	90.0°	120.0°
C4	C5	C7	90.0°	120.0°
C4	C5	H5	90.0°	120.0°
C4	C6	C8	90.0°	120.0°
C4	C6	H6	90.0°	120.0°
C7	C5	H5	90.0°	120.0°
C5	C7	C9	90.0°	120.0°
C5	C7	H7	90.0°	120.0°
C8	C6	H6	90.0°	120.0°
C6	C8	C9	90.0°	120.0°
C6	C8	H8	90.0°	120.0°
C9	C7	H7	90.0°	120.0°
C7	C9	C8	90.0°	120.0°
C7	C9	H9	90.0°	120.0°
C9	C8	H8	90.0°	120.0°
C8	C9	H9	90.0°	120.0°
C10	N2	C11	122.0°	117.4°
C10	N2	H11	119.0°	121.3°
N2	C10	N3	107.5°	121.7°
N2	C10	N4	126.5°	116.4°
C11	N2	H11	119.0°	121.3°
N2	C11	C13	98.6°	108.7°
N2	C11	H12	112.1°	109.7°
N2	C11	H13	112.2°	109.6°
N3	C10	N4	126.0°	121.8°
C10	N3	H14	112.0°	120.0°
C10	N4	C12	108.7°	117.5°
C10	N4	H18	125.6°	121.3°
C13	C11	H12	112.1°	109.6°
C13	C11	H13	112.1°	109.6°
C11	C13	C12	109.0°	109.2°
C11	C13	H16	109.6°	109.5°
C11	C13	H17	109.6°	109.5°
H12	C11	H13	109.5°	109.7°
C13	C12	N4	109.6°	108.6°
C13	C12	C14	110.9°	109.6°
C13	C12	H15	109.3°	109.6°
C12	C13	H16	109.6°	109.5°
C12	C13	H17	109.6°	109.5°
N4	C12	C14	107.4°	109.6°
N4	C12	H15	110.4°	109.6°
C12	N4	H18	125.6°	121.3°
C14	C12	H15	109.2°	109.8°
C12	C14	N5	98.8°	109.5°
C12	C14	C15	119.8°	109.4°
C12	C14	H20	107.3°	109.5°
H16	C13	H17	109.5°	109.5°
C14	N5	H19	107.0°	120.0°
N5	C14	C15	114.7°	109.5°
N5	C14	H20	108.2°	109.4°
C14	N5	C16	146.1°	120.0°
H19	N5	C16	106.9°	120.0°
C15	C14	H20	107.4°	109.5°
C14	C15	O3	122.1°	120.0°
C14	C15	N6	116.2°	120.0°
O3	C15	N6	121.8°	120.0°
O4	C16	N5	90.0°	119.9°
O4	C16	N1	90.0°	120.0°
N5	C16	N1	90.0°	120.0°
C17	N6	H21	119.3°	120.0°
N6	C17	C18	109.2°	109.5°
N6	C17	C19	111.1°	109.5°
N6	C17	H22	109.0°	109.5°
C17	N6	C15	121.3°	120.0°
H21	N6	C15	119.4°	120.0°
C18	C17	C19	111.0°	109.5°
C18	C17	H22	108.2°	109.5°
C17	C18	O5	122.4°	120.0°
C17	C18	N7	117.7°	120.0°
C19	C17	H22	108.2°	109.5°
C17	C19	C20	120.8°	109.5°
C17	C19	H23	106.6°	109.5°
C17	C19	H24	106.6°	109.5°
O5	C18	N7	119.9°	120.0°
C20	C19	H23	106.6°	109.5°
C20	C19	H24	106.6°	109.4°
C19	C20	C21	113.0°	109.4°
C19	C20	C22	110.8°	109.5°
C19	C20	H25	108.0°	109.5°
H23	C19	H24	109.5°	109.5°
C21	C20	C22	108.8°	109.5°
C21	C20	H25	108.1°	109.5°
C20	C21	H26	109.5°	109.4°
C20	C21	H27	109.5°	109.5°
C20	C21	H28	109.5°	109.5°
C22	C20	H25	108.0°	109.5°
C20	C22	H29	109.5°	109.5°
C20	C22	H30	109.5°	109.4°
C20	C22	H31	109.4°	109.5°
H26	C21	H27	109.5°	109.5°
H26	C21	H28	109.5°	109.4°
H27	C21	H28	109.5°	109.6°
H29	C22	H30	109.5°	109.5°
H29	C22	H31	109.5°	109.5°
H30	C22	H31	109.5°	109.4°
C23	N7	H32	121.7°	120.0°
N7	C23	C24	109.7°	109.5°
N7	C23	C25	109.8°	109.4°
N7	C23	H33	109.0°	109.5°
C23	N7	C18	116.5°	120.0°
H32	N7	C18	121.7°	120.0°
C24	C23	C25	111.6°	109.5°
C24	C23	H33	108.2°	109.5°
C23	C24	O6	121.5°	109.5°
C23	C24	H34	106.4°	109.5°
C23	C24	H35	106.4°	109.5°
C25	C23	H33	108.4°	109.5°
C23	C25	C26	119.4°	109.5°
C23	C25	H37	107.0°	109.4°
C23	C25	H38	107.0°	109.4°
O6	C24	H34	106.4°	109.5°
O6	C24	H35	106.4°	109.4°
C24	O6	H36	109.5°	114.0°
H34	C24	H35	109.5°	109.4°
C26	C25	H37	106.9°	109.5°
C26	C25	H38	106.9°	109.5°
C25	C26	C27	118.8°	120.0°
C25	C26	C28	122.9°	120.0°
H37	C25	H38	109.5°	109.5°
C27	C26	C28	118.3°	119.9°
C26	C27	C29	121.4°	120.0°
C26	C27	H39	119.3°	120.0°
C26	C28	C30	120.7°	120.0°
C26	C28	H40	119.6°	120.0°
C29	C27	H39	119.3°	120.0°
C27	C29	C31	119.7°	120.0°
C27	C29	H41	120.2°	120.0°
C30	C28	H40	119.6°	120.0°
C28	C30	C31	120.5°	120.0°
C28	C30	H42	119.7°	120.0°
C31	C29	H41	120.2°	120.0°
C29	C31	C30	119.4°	120.0°
C29	C31	H43	120.3°	120.0°
C31	C30	H42	119.7°	120.0°
C30	C31	H43	120.3°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	H1	C16	90.0°	179.7°
N1	C1	C2	C3	90.0°	120.0°
N1	C1	C2	H2	90.0°	120.0°
N1	C1	C3	H2	90.0°	119.9°
N1	C1	C2	O1	90.0°	0.0°
N1	C1	C2	O2	90.0°	180.0°
N1	C1	C3	C4	90.0°	65.0°
N1	C1	C3	H3	90.0°	175.0°
N1	C1	C3	H4	90.0°	55.0°
C1	N1	C16	O4	90.0°	0.0°
C1	N1	C16	N5	90.0°	180.0°
H1	N1	C1	C2	90.0°	95.0°
H1	N1	C1	C3	90.0°	25.0°
H1	N1	C1	H2	90.0°	145.0°
H1	N1	C16	O4	90.0°	179.8°
H1	N1	C16	N5	90.0°	0.3°
C2	C1	C3	H2	90.0°	120.1°
C1	C2	O1	O2	90.0°	179.9°
C2	C1	C3	C4	90.0°	175.0°
C2	C1	C3	H3	90.0°	55.0°
C2	C1	C3	H4	90.0°	65.0°
C1	C2	O2	H10	90.0°	180.0°
C2	C1	N1	C16	90.0°	85.3°
C3	C1	C2	O1	90.0°	119.9°
C3	C1	C2	O2	90.0°	60.0°
C1	C3	C4	H3	90.0°	119.9°
C1	C3	C4	H4	90.0°	120.0°
C1	C3	H3	H4	90.0°	120.0°
C1	C3	C4	C5	90.0°	90.0°
C1	C3	C4	C6	90.0°	90.3°
C3	C1	N1	C16	90.0°	154.7°
H2	C1	C2	O1	90.0°	120.0°
H2	C1	C2	O2	90.0°	60.0°
H2	C1	C3	C4	90.0°	54.9°
H2	C1	C3	H3	90.0°	65.0°
H2	C1	C3	H4	90.0°	174.9°
H2	C1	N1	C16	90.0°	34.8°
O1	C2	O2	H10	90.0°	0.0°
C4	C3	H3	H4	90.0°	120.0°
C3	C4	C5	C6	90.0°	179.6°
C3	C4	C5	C7	90.0°	180.0°
C3	C4	C5	H5	90.0°	0.1°
C3	C4	C6	C8	90.0°	180.0°
C3	C4	C6	H6	90.0°	0.0°
H3	C3	C4	C5	90.0°	29.9°
H3	C3	C4	C6	90.0°	149.7°
H4	C3	C4	C5	90.0°	149.9°
H4	C3	C4	C6	90.0°	29.7°
C4	C5	C7	H5	90.0°	179.9°
C5	C4	C6	C8	90.0°	0.3°
C5	C4	C6	H6	90.0°	179.6°
C4	C5	C7	C9	90.0°	0.1°
C4	C5	C7	H7	90.0°	179.9°
C6	C4	C5	C7	90.0°	0.3°
C6	C4	C5	H5	90.0°	179.7°
C4	C6	C8	H6	90.0°	180.0°
C4	C6	C8	C9	90.0°	0.1°
C4	C6	C8	H8	90.0°	180.0°
C5	C7	C9	H7	90.0°	179.9°
C5	C7	C9	C8	90.0°	0.2°
C5	C7	C9	H9	90.0°	180.0°
H5	C5	C7	C9	90.0°	180.0°
H5	C5	C7	H7	90.0°	0.0°
C6	C8	C9	C7	90.0°	0.2°
C6	C8	C9	H8	90.0°	179.9°
C6	C8	C9	H9	90.0°	180.0°
H6	C6	C8	C9	90.0°	179.9°
H6	C6	C8	H8	90.0°	0.0°
C7	C9	C8	H9	90.0°	179.8°
C7	C9	C8	H8	90.0°	179.7°
H7	C7	C9	C8	90.0°	179.8°
H7	C7	C9	H9	90.0°	0.0°
H8	C8	C9	H9	90.0°	0.2°
C10	N2	C11	H11	180.0°	179.7°
N2	C10	N3	N4	180.0°	180.0°
C10	N2	C11	C13	33.4°	49.6°
C10	N2	C11	H12	151.6°	169.4°
C10	N2	C11	H13	84.8°	70.2°
N2	C10	N3	H14	180.0°	180.0°
N2	C10	N4	C12	3.7°	42.7°
N2	C10	N4	H18	176.3°	137.4°
C11	N2	C10	N3	176.9°	137.3°
C11	N2	C10	N4	3.1°	42.7°
N2	C11	C13	H12	118.2°	119.8°
N2	C11	C13	H13	118.2°	119.7°
N2	C11	H12	H13	125.1°	120.4°
N2	C11	C13	C12	67.6°	55.8°
N2	C11	C13	H16	52.3°	64.2°
N2	C11	C13	H17	172.5°	175.7°
H11	N2	C10	N3	3.1°	43.0°
H11	N2	C10	N4	176.9°	137.0°
H11	N2	C11	C13	146.6°	130.1°
H11	N2	C11	H12	28.4°	10.3°
H11	N2	C11	H13	95.2°	110.1°
N3	C10	N4	C12	176.3°	137.3°
N3	C10	N4	H18	3.7°	42.6°
N4	C10	N3	H14	0.0°	0.0°
C10	N4	C12	C13	37.1°	49.7°
C10	N4	C12	H18	180.0°	179.9°
C10	N4	C12	C14	157.6°	169.4°
C10	N4	C12	H15	83.5°	70.0°
C13	C11	H12	H13	125.1°	120.4°
C11	C13	C12	H16	120.0°	119.9°
C11	C13	C12	H17	119.9°	119.9°
C11	C13	C12	N4	76.4°	55.8°
C11	C13	C12	C14	165.2°	175.5°
C11	C13	C12	H15	44.8°	64.0°
C11	C13	H16	H17	120.2°	120.1°
H12	C11	C13	C12	174.2°	175.6°
H12	C11	C13	H16	65.9°	55.7°
H12	C11	C13	H17	54.3°	64.5°
H13	C11	C13	C12	50.6°	63.9°
H13	C11	C13	H16	170.5°	176.2°
H13	C11	C13	H17	69.3°	56.0°
C13	C12	N4	C14	120.6°	119.7°
C13	C12	N4	H15	120.5°	119.7°
C13	C12	C14	H15	120.5°	120.4°
C12	C13	H16	H17	120.2°	120.2°
C13	C12	N4	H18	142.9°	130.5°
C13	C12	C14	N5	159.0°	60.0°
C13	C12	C14	C15	33.9°	180.0°
C13	C12	C14	H20	88.7°	60.0°
N4	C12	C14	H15	119.7°	120.5°
N4	C12	C13	H16	43.6°	64.1°
N4	C12	C13	H17	163.7°	175.7°
N4	C12	C14	N5	81.2°	59.1°
N4	C12	C14	C15	153.6°	60.9°
N4	C12	C14	H20	31.1°	179.1°
C14	C12	C13	H16	74.9°	55.6°
C14	C12	C13	H17	45.3°	64.5°
C14	C12	N4	H18	22.4°	10.7°
C12	C14	N5	C15	128.6°	120.0°
C12	C14	N5	H20	111.6°	120.0°
C12	C14	N5	H19	138.3°	95.0°
C12	C14	C15	H20	122.6°	120.0°
C12	C14	C15	O3	70.2°	120.0°
C12	C14	N5	C16	41.7°	85.0°
C12	C14	C15	N6	110.0°	60.0°
H15	C12	C13	H16	164.7°	176.1°
H15	C12	C13	H17	75.1°	56.0°
H15	C12	N4	H18	96.5°	109.8°
H15	C12	C14	N5	38.5°	179.6°
H15	C12	C14	C15	86.6°	59.6°
H15	C12	C14	H20	150.8°	60.4°
C14	N5	H19	C16	180.0°	180.0°
N5	C14	C15	H20	120.2°	120.0°
N5	C14	C15	O3	172.6°	0.0°
C14	N5	C16	O4	90.0°	0.1°
C14	N5	C16	N1	90.0°	180.0°
N5	C14	C15	N6	7.2°	180.0°
H19	N5	C14	C15	9.7°	25.0°
H19	N5	C14	H20	110.1°	145.0°
H19	N5	C16	O4	90.0°	180.0°
H19	N5	C16	N1	90.0°	0.0°
C14	C15	O3	N6	179.7°	179.9°
C15	C14	N5	C16	170.4°	155.0°
C14	C15	N6	C17	179.1°	174.9°
C14	C15	N6	H21	0.9°	5.0°
H20	C14	C15	O3	52.4°	120.0°
H20	C14	N5	C16	69.9°	35.0°
H20	C14	C15	N6	127.4°	60.0°
O3	C15	N6	C17	1.1°	5.1°
O3	C15	N6	H21	178.9°	174.9°
O4	C16	N5	N1	90.0°	179.9°
C17	N6	H21	C15	180.0°	180.0°
N6	C17	C18	C19	122.9°	120.0°
N6	C17	C18	H22	118.6°	120.0°
N6	C17	C19	H22	119.6°	120.0°
N6	C17	C18	O5	38.3°	13.5°
N6	C17	C19	C20	80.4°	174.0°
N6	C17	C19	H23	41.1°	54.0°
N6	C17	C19	H24	158.0°	66.1°
N6	C17	C18	N7	141.7°	166.4°
H21	N6	C17	C18	107.4°	28.5°
H21	N6	C17	C19	15.4°	91.5°
H21	N6	C17	H22	134.5°	148.5°
C18	C17	C19	H22	118.6°	120.0°
C17	C18	O5	N7	179.9°	179.9°
C18	C17	C19	C20	157.8°	66.1°
C18	C17	C19	H23	80.6°	173.9°
C18	C17	C19	H24	36.2°	53.9°
C17	C18	N7	C23	177.3°	175.0°
C17	C18	N7	H32	2.8°	5.0°
C18	C17	N6	C15	72.6°	151.5°
C19	C17	C18	O5	84.6°	106.5°
C17	C19	C20	H23	121.6°	120.0°
C17	C19	C20	H24	121.6°	120.0°
C17	C19	H23	H24	114.9°	120.0°
C17	C19	C20	C21	6.6°	66.3°
C17	C19	C20	C22	129.0°	173.7°
C17	C19	C20	H25	112.9°	53.7°
C19	C17	N6	C15	164.6°	88.5°
C19	C17	C18	N7	95.4°	73.6°
H22	C17	C18	O5	156.8°	133.5°
H22	C17	C19	C20	39.2°	54.0°
H22	C17	C19	H23	160.8°	66.0°
H22	C17	C19	H24	82.4°	173.9°
H22	C17	N6	C15	45.5°	31.4°
H22	C17	C18	N7	23.1°	46.4°
O5	C18	N7	C23	2.8°	4.9°
O5	C18	N7	H32	177.2°	175.1°
C20	C19	H23	H24	114.9°	119.9°
C19	C20	C21	C22	123.6°	120.0°
C19	C20	C21	H25	119.4°	120.0°
C19	C20	C22	H25	118.0°	120.0°
C19	C20	C21	H26	180.0°	175.8°
C19	C20	C21	H27	60.0°	55.9°
C19	C20	C21	H28	60.0°	64.3°
C19	C20	C22	H29	180.0°	60.0°
C19	C20	C22	H30	60.0°	180.0°
C19	C20	C22	H31	60.0°	60.0°
H23	C19	C20	C21	115.0°	53.7°
H23	C19	C20	C22	7.4°	66.3°
H23	C19	C20	H25	125.5°	173.7°
H24	C19	C20	C21	128.1°	173.7°
H24	C19	C20	C22	109.4°	53.7°
H24	C19	C20	H25	8.7°	66.3°
C21	C20	C22	H25	117.1°	120.0°
C20	C21	H26	H27	120.0°	120.0°
C20	C21	H26	H28	120.0°	119.9°
C20	C21	H27	H28	120.0°	120.1°
C21	C20	C22	H29	55.1°	180.0°
C21	C20	C22	H30	64.9°	60.0°
C21	C20	C22	H31	175.1°	60.0°
C22	C20	C21	H26	56.4°	64.1°
C22	C20	C21	H27	176.4°	175.9°
C22	C20	C21	H28	63.5°	55.8°
C20	C22	H29	H30	120.0°	120.0°
C20	C22	H29	H31	120.0°	120.1°
C20	C22	H30	H31	120.0°	120.0°
H25	C20	C21	H26	60.6°	55.9°
H25	C20	C21	H27	59.4°	64.1°
H25	C20	C21	H28	179.4°	175.8°
H25	C20	C22	H29	61.9°	60.0°
H25	C20	C22	H30	178.0°	60.0°
H25	C20	C22	H31	58.0°	180.0°
H26	C21	H27	H28	120.0°	120.0°
H29	C22	H30	H31	120.0°	120.0°
C23	N7	H32	C18	180.0°	180.0°
N7	C23	C24	C25	121.9°	120.0°
N7	C23	C24	H33	118.9°	120.1°
N7	C23	C25	H33	119.0°	120.0°
N7	C23	C24	O6	174.5°	65.0°
N7	C23	C24	H34	63.9°	55.0°
N7	C23	C24	H35	52.8°	175.0°
N7	C23	C25	C26	86.1°	65.0°
N7	C23	C25	H37	35.3°	55.0°
N7	C23	C25	H38	152.5°	175.0°
H32	N7	C23	C24	67.0°	95.0°
H32	N7	C23	C25	56.0°	25.0°
H32	N7	C23	H33	174.7°	145.0°
C24	C23	C25	H33	119.1°	120.0°
C23	C24	O6	H34	121.7°	120.0°
C23	C24	O6	H35	121.7°	120.0°
C23	C24	H34	H35	114.6°	120.0°
C23	C24	O6	H36	180.0°	180.0°
C24	C23	C25	C26	152.0°	175.0°
C24	C23	C25	H37	86.6°	65.0°
C24	C23	C25	H38	30.6°	55.0°
C24	C23	N7	C18	113.0°	85.0°
C25	C23	C24	O6	63.6°	55.0°
C25	C23	C24	H34	58.1°	175.0°
C25	C23	C24	H35	174.8°	65.0°
C23	C25	C26	H37	121.4°	120.0°
C23	C25	C26	H38	121.4°	120.0°
C23	C25	H37	H38	115.5°	119.9°
C23	C25	C26	C27	154.2°	90.0°
C23	C25	C26	C28	26.3°	90.3°
C25	C23	N7	C18	124.0°	155.0°
H33	C23	C24	O6	55.6°	175.0°
H33	C23	C24	H34	177.3°	65.0°
H33	C23	C24	H35	66.0°	55.0°
H33	C23	C25	C26	32.9°	55.0°
H33	C23	C25	H37	154.3°	175.0°
H33	C23	C25	H38	88.5°	65.0°
H33	C23	N7	C18	5.3°	35.0°
O6	C24	H34	H35	114.6°	119.9°
H34	C24	O6	H36	58.3°	60.0°
H35	C24	O6	H36	58.3°	60.0°
C26	C25	H37	H38	115.5°	120.1°
C25	C26	C27	C28	179.5°	179.7°
C25	C26	C27	C29	179.5°	180.0°
C25	C26	C27	H39	0.5°	0.0°
C25	C26	C28	C30	179.5°	180.0°
C25	C26	C28	H40	0.4°	0.1°
H37	C25	C26	C27	32.8°	30.0°
H37	C25	C26	C28	147.7°	149.8°
H38	C25	C26	C27	84.4°	150.0°
H38	C25	C26	C28	95.1°	29.7°
C26	C27	C29	H39	180.0°	180.0°
C27	C26	C28	C30	0.0°	0.2°
C27	C26	C28	H40	179.9°	179.7°
C26	C27	C29	C31	0.1°	0.0°
C26	C27	C29	H41	179.9°	180.0°
C28	C26	C27	C29	0.0°	0.3°
C28	C26	C27	H39	180.0°	179.8°
C26	C28	C30	H40	180.0°	179.9°
C26	C28	C30	C31	0.0°	0.0°
C26	C28	C30	H42	180.0°	180.0°
C27	C29	C31	H41	180.0°	180.0°
C27	C29	C31	C30	0.2°	0.3°
C27	C29	C31	H43	179.8°	180.0°
H39	C27	C29	C31	179.9°	180.0°
H39	C27	C29	H41	0.1°	0.0°
C28	C30	C31	C29	0.2°	0.3°
C28	C30	C31	H42	180.0°	180.0°
C28	C30	C31	H43	179.9°	180.0°
H40	C28	C30	C31	180.0°	179.9°
H40	C28	C30	H42	0.0°	0.1°
C29	C31	C30	H43	180.0°	179.7°
C29	C31	C30	H42	179.9°	179.7°
H41	C29	C31	C30	179.8°	179.8°
H41	C29	C31	H43	0.2°	0.1°
H42	C30	C31	H43	0.1°	0.0°

Release date:	2018-10-24
Last modified:	2018-10-24
Processing site:	RCSB