PRD_002282

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C1	sing	1.49Å	1.42Å
N1	H1	sing	0.97Å	1.00Å
C1	C2	sing	1.51Å	1.55Å
C1	C3	sing	1.53Å	1.53Å
C1	H2	sing	1.09Å	1.10Å
C2	O1	doub	1.21Å	1.23Å
C3	C4	sing	1.51Å	1.51Å
C3	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.09Å	1.10Å
C4	C5	doub	1.38Å	1.39Å	Aromatic
C4	C6	sing	1.38Å	1.39Å	Aromatic
C5	C7	sing	1.38Å	1.39Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C6	C8	doub	1.38Å	1.39Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C7	C9	doub	1.38Å	1.38Å	Aromatic
C7	H7	sing	1.08Å	1.08Å
C8	C9	sing	1.38Å	1.38Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
N2	C10	sing	1.49Å	1.45Å
N2	H10	sing	0.97Å	1.00Å
C10	C11	sing	1.50Å	1.52Å
C10	C12	sing	1.53Å	1.53Å
C10	H11	sing	1.09Å	1.10Å
C11	O2	doub	1.21Å	1.22Å
C12	C13	sing	1.51Å	1.48Å
C12	H12	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
C13	C14	doub	1.38Å	1.39Å	Aromatic
C13	C15	sing	1.38Å	1.38Å	Aromatic
C14	C16	sing	1.38Å	1.38Å	Aromatic
C14	H14	sing	1.08Å	1.08Å
C15	C17	doub	1.38Å	1.39Å	Aromatic
C15	H15	sing	1.08Å	1.08Å
C16	C18	doub	1.38Å	1.37Å	Aromatic
C16	H16	sing	1.08Å	1.08Å
C17	C18	sing	1.38Å	1.38Å	Aromatic
C17	H17	sing	1.08Å	1.08Å
C18	H18	sing	1.08Å	1.08Å
N3	C19	sing	1.45Å	1.47Å
N3	C23	sing	1.47Å	1.45Å
C19	C20	sing	1.53Å	1.52Å
C19	H19	sing	1.09Å	1.10Å
C19	H20	sing	1.09Å	1.10Å
C20	C21	sing	1.53Å	1.50Å
C20	H21	sing	1.09Å	1.10Å
C20	H22	sing	1.09Å	1.10Å
C21	C22	sing	1.53Å	1.51Å
C21	H23	sing	1.09Å	1.10Å
C21	H24	sing	1.09Å	1.10Å
C22	C23	sing	1.52Å	1.53Å
C22	H25	sing	1.09Å	1.10Å
C22	H26	sing	1.09Å	1.10Å
C23	C24	sing	1.50Å	1.54Å
C23	H27	sing	1.10Å	1.10Å
C24	O3	doub	1.21Å	1.23Å
C33	O7	sing	1.43Å	1.45Å
C33	C34	sing	1.53Å	1.49Å
C33	C25	sing	1.53Å	1.54Å
O4	C25	sing	1.43Å	1.42Å
O7	C34	sing	1.43Å	1.44Å
C25	C26	sing	1.53Å	1.53Å
C25	O6	sing	1.43Å	1.40Å
C26	C27	sing	1.53Å	1.52Å
C32	O5	doub	1.21Å	1.23Å
C32	C31	sing	1.51Å	1.51Å
C27	C28	sing	1.53Å	1.52Å
C28	C29	sing	1.53Å	1.50Å
C29	C30	sing	1.53Å	1.51Å
C30	C31	sing	1.53Å	1.50Å
C31	N4	sing	1.48Å	1.48Å
O4	H28	sing	0.97Å	0.95Å
C26	H29	sing	1.09Å	1.10Å
C26	H30	sing	1.09Å	1.10Å
C27	H31	sing	1.09Å	1.10Å
C27	H32	sing	1.09Å	1.10Å
C28	H33	sing	1.09Å	1.10Å
C28	H34	sing	1.09Å	1.10Å
C29	H35	sing	1.09Å	1.10Å
C29	H36	sing	1.09Å	1.10Å
C30	H37	sing	1.09Å	1.10Å
C30	H38	sing	1.09Å	1.10Å
C31	H39	sing	1.09Å	1.10Å
N4	H40	sing	0.97Å	1.00Å
O6	H41	sing	0.97Å	0.95Å
C33	H42	sing	1.09Å	1.10Å
C34	H43	sing	1.09Å	1.10Å
C34	H44	sing	1.09Å	1.10Å
N1	C32	sing	1.37Å	1.37Å
C2	N2	sing	1.37Å	1.37Å
C11	N3	sing	1.35Å	1.41Å
C24	N4	sing	1.37Å	1.37Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	H1	118.6°	123.5°
N1	C1	C2	103.7°	107.3°
N1	C1	C3	115.5°	109.9°
N1	C1	H2	110.9°	109.8°
C1	N1	C32	122.7°	112.8°
H1	N1	C32	118.6°	123.6°
C2	C1	C3	108.2°	109.9°
C2	C1	H2	109.0°	109.9°
C1	C2	O1	121.2°	121.3°
C1	C2	N2	119.9°	117.3°
C3	C1	H2	109.3°	110.0°
C1	C3	C4	114.0°	109.5°
C1	C3	H3	108.3°	109.5°
C1	C3	H4	108.3°	109.5°
O1	C2	N2	118.8°	121.3°
C4	C3	H3	108.3°	109.5°
C4	C3	H4	108.3°	109.4°
C3	C4	C5	121.6°	120.0°
C3	C4	C6	121.0°	120.0°
H3	C3	H4	109.5°	109.5°
C5	C4	C6	116.9°	120.0°
C4	C5	C7	121.4°	120.0°
C4	C5	H5	119.3°	120.0°
C4	C6	C8	121.5°	120.0°
C4	C6	H6	119.2°	120.0°
C7	C5	H5	119.3°	120.0°
C5	C7	C9	120.4°	120.0°
C5	C7	H7	119.8°	120.0°
C8	C6	H6	119.2°	120.0°
C6	C8	C9	120.7°	120.0°
C6	C8	H8	119.6°	120.0°
C9	C7	H7	119.8°	120.1°
C7	C9	C8	118.9°	120.0°
C7	C9	H9	120.6°	120.0°
C9	C8	H8	119.6°	119.9°
C8	C9	H9	120.6°	120.0°
C10	N2	H10	118.3°	122.1°
N2	C10	C11	115.8°	107.5°
N2	C10	C12	109.6°	109.8°
N2	C10	H11	107.2°	109.9°
C10	N2	C2	123.5°	115.8°
H10	N2	C2	118.2°	122.1°
C11	C10	C12	110.9°	109.8°
C11	C10	H11	106.4°	109.9°
C10	C11	O2	116.5°	119.3°
C10	C11	N3	125.3°	121.4°
C12	C10	H11	106.4°	109.9°
C10	C12	C13	114.0°	109.5°
C10	C12	H12	108.3°	109.5°
C10	C12	H13	108.3°	109.5°
O2	C11	N3	118.1°	119.2°
C13	C12	H12	108.3°	109.5°
C13	C12	H13	108.3°	109.5°
C12	C13	C14	120.5°	120.0°
C12	C13	C15	121.8°	120.0°
H12	C12	H13	109.5°	109.5°
C14	C13	C15	117.7°	120.0°
C13	C14	C16	121.4°	120.0°
C13	C14	H14	119.3°	120.0°
C13	C15	C17	120.8°	120.0°
C13	C15	H15	119.6°	120.0°
C16	C14	H14	119.3°	120.0°
C14	C16	C18	120.4°	120.0°
C14	C16	H16	119.8°	120.0°
C17	C15	H15	119.6°	120.0°
C15	C17	C18	120.9°	120.0°
C15	C17	H17	119.6°	120.0°
C18	C16	H16	119.8°	120.0°
C16	C18	C17	118.8°	120.0°
C16	C18	H18	120.6°	120.0°
C18	C17	H17	119.5°	120.0°
C17	C18	H18	120.6°	120.0°
C19	N3	C23	119.4°	120.6°
N3	C19	C20	114.5°	110.8°
N3	C19	H19	108.2°	109.2°
N3	C19	H20	108.2°	109.2°
C19	N3	C11	117.7°	121.8°
N3	C23	C22	111.4°	110.1°
N3	C23	C24	109.3°	108.3°
N3	C23	H27	108.4°	108.6°
C23	N3	C11	122.4°	117.4°
C20	C19	H19	108.2°	109.2°
C20	C19	H20	108.2°	109.2°
C19	C20	C21	111.5°	109.1°
C19	C20	H21	109.0°	109.6°
C19	C20	H22	109.0°	109.5°
H19	C19	H20	109.5°	109.1°
C21	C20	H21	108.9°	109.5°
C21	C20	H22	109.0°	109.5°
C20	C21	C22	110.5°	108.8°
C20	C21	H23	109.2°	109.6°
C20	C21	H24	109.2°	109.6°
H21	C20	H22	109.5°	109.6°
C22	C21	H23	109.2°	109.6°
C22	C21	H24	109.2°	109.5°
C21	C22	C23	113.1°	111.1°
C21	C22	H25	108.6°	109.2°
C21	C22	H26	108.5°	109.1°
H23	C21	H24	109.5°	109.7°
C23	C22	H25	108.6°	109.2°
C23	C22	H26	108.6°	109.1°
C22	C23	C24	112.9°	111.5°
C22	C23	H27	107.5°	109.7°
H25	C22	H26	109.5°	109.0°
C24	C23	H27	107.3°	108.6°
C23	C24	O3	122.9°	120.0°
C23	C24	N4	117.3°	120.1°
O3	C24	N4	119.8°	119.9°
O7	C33	C34	58.5°	57.6°
O7	C33	C25	114.5°	117.8°
C33	O7	C34	62.1°	64.7°
O7	C33	H42	116.9°	117.7°
C34	C33	C25	123.3°	117.8°
C33	C34	O7	59.4°	57.6°
C34	C33	H42	116.1°	117.8°
C33	C34	H43	120.1°	117.8°
C33	C34	H44	120.1°	117.7°
C33	C25	O4	107.7°	109.4°
C33	C25	C26	114.5°	109.5°
C33	C25	O6	107.5°	109.5°
C25	C33	H42	115.2°	115.7°
O4	C25	C26	109.2°	109.5°
O4	C25	O6	105.7°	109.4°
C25	O4	H28	109.5°	114.0°
O7	C34	H43	120.1°	117.8°
O7	C34	H44	120.1°	117.8°
C26	C25	O6	111.7°	109.5°
C25	C26	C27	114.6°	109.5°
C25	C26	H29	108.2°	109.5°
C25	C26	H30	108.2°	109.4°
C25	O6	H41	109.5°	114.0°
C26	C27	C28	112.4°	109.5°
C27	C26	H29	108.2°	109.5°
C27	C26	H30	108.1°	109.5°
C26	C27	H31	108.7°	109.5°
C26	C27	H32	108.7°	109.5°
O5	C32	C31	121.7°	120.5°
O5	C32	N1	123.0°	120.4°
C32	C31	C30	114.3°	109.8°
C32	C31	N4	105.7°	107.3°
C32	C31	H39	108.7°	110.0°
C31	C32	N1	115.3°	119.1°
C27	C28	C29	113.5°	109.5°
C28	C27	H31	108.7°	109.5°
C28	C27	H32	108.7°	109.4°
C27	C28	H33	108.5°	109.5°
C27	C28	H34	108.5°	109.5°
C28	C29	C30	111.4°	109.5°
C29	C28	H33	108.5°	109.5°
C29	C28	H34	108.5°	109.5°
C28	C29	H35	109.0°	109.5°
C28	C29	H36	109.0°	109.5°
C29	C30	C31	114.0°	109.5°
C30	C29	H35	109.0°	109.5°
C30	C29	H36	109.0°	109.5°
C29	C30	H37	108.3°	109.4°
C29	C30	H38	108.3°	109.5°
C30	C31	N4	110.0°	109.9°
C31	C30	H37	108.3°	109.4°
C31	C30	H38	108.3°	109.5°
C30	C31	H39	108.8°	109.9°
N4	C31	H39	109.2°	109.9°
C31	N4	H40	118.2°	122.6°
C31	N4	C24	123.7°	114.9°
H29	C26	H30	109.5°	109.4°
H31	C27	H32	109.5°	109.4°
H33	C28	H34	109.5°	109.4°
H35	C29	H36	109.5°	109.4°
H37	C30	H38	109.5°	109.4°
H40	N4	C24	118.2°	122.5°
H43	C34	H44	109.5°	115.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	H1	C32	180.0°	179.7°
N1	C1	C2	C3	123.1°	119.4°
N1	C1	C2	H2	118.2°	119.4°
N1	C1	C3	H2	125.8°	121.0°
N1	C1	C2	O1	129.8°	172.2°
N1	C1	C3	C4	173.1°	162.3°
N1	C1	C3	H3	66.3°	42.3°
N1	C1	C3	H4	52.4°	77.7°
C1	N1	C32	O5	16.3°	8.4°
C1	N1	C32	C31	162.9°	171.3°
N1	C1	C2	N2	50.6°	7.8°
H1	N1	C1	C2	77.4°	90.1°
H1	N1	C1	C3	40.8°	150.4°
H1	N1	C1	H2	165.7°	29.3°
H1	N1	C32	O5	163.7°	171.3°
H1	N1	C32	C31	17.1°	8.9°
C2	C1	C3	H2	118.6°	121.1°
C1	C2	O1	N2	179.6°	180.0°
C2	C1	C3	C4	57.4°	79.8°
C2	C1	C3	H3	178.1°	160.2°
C2	C1	C3	H4	63.2°	40.1°
C1	C2	N2	C10	175.8°	179.2°
C1	C2	N2	H10	4.2°	0.9°
C2	C1	N1	C32	102.6°	90.1°
C3	C1	C2	O1	107.1°	68.4°
C1	C3	C4	H3	120.7°	120.0°
C1	C3	C4	H4	120.6°	120.0°
C1	C3	H3	H4	117.9°	120.0°
C1	C3	C4	C5	103.0°	92.5°
C1	C3	C4	C6	69.6°	87.8°
C3	C1	N1	C32	139.2°	29.3°
C3	C1	C2	N2	72.5°	111.6°
H2	C1	C2	O1	11.6°	52.8°
H2	C1	C3	C4	61.2°	41.3°
H2	C1	C3	H3	59.5°	78.7°
H2	C1	C3	H4	178.2°	161.2°
H2	C1	N1	C32	14.3°	150.4°
H2	C1	C2	N2	168.8°	127.2°
O1	C2	N2	C10	3.8°	0.8°
O1	C2	N2	H10	176.2°	179.2°
C4	C3	H3	H4	118.0°	120.0°
C3	C4	C5	C6	172.9°	179.7°
C3	C4	C5	C7	177.2°	180.0°
C3	C4	C5	H5	2.8°	0.1°
C3	C4	C6	C8	177.6°	180.0°
C3	C4	C6	H6	2.4°	0.1°
H3	C3	C4	C5	136.3°	27.5°
H3	C3	C4	C6	51.1°	152.2°
H4	C3	C4	C5	17.6°	147.5°
H4	C3	C4	C6	169.8°	32.2°
C4	C5	C7	H5	180.0°	179.9°
C5	C4	C6	C8	4.6°	0.2°
C5	C4	C6	H6	175.4°	179.6°
C4	C5	C7	C9	1.6°	0.1°
C4	C5	C7	H7	178.4°	180.0°
C6	C4	C5	C7	4.3°	0.3°
C6	C4	C5	H5	175.7°	179.8°
C4	C6	C8	H6	180.0°	179.9°
C4	C6	C8	C9	2.1°	0.1°
C4	C6	C8	H8	177.9°	179.9°
C5	C7	C9	H7	180.0°	180.0°
C5	C7	C9	C8	1.1°	0.2°
C5	C7	C9	H9	178.9°	180.0°
H5	C5	C7	C9	178.4°	180.0°
H5	C5	C7	H7	1.6°	0.1°
C6	C8	C9	C7	0.8°	0.3°
C6	C8	C9	H8	180.0°	180.0°
C6	C8	C9	H9	179.2°	179.9°
H6	C6	C8	C9	177.9°	179.9°
H6	C6	C8	H8	2.1°	0.1°
C7	C9	C8	H9	180.0°	179.8°
C7	C9	C8	H8	179.2°	179.7°
H7	C7	C9	C8	178.9°	179.7°
H7	C7	C9	H9	1.1°	0.0°
H8	C8	C9	H9	0.8°	0.1°
C10	N2	H10	C2	180.0°	180.0°
N2	C10	C11	C12	125.7°	119.5°
N2	C10	C11	H11	119.0°	119.6°
N2	C10	C12	H11	115.6°	121.0°
N2	C10	C11	O2	135.0°	127.4°
N2	C10	C12	C13	77.6°	177.3°
N2	C10	C12	H12	43.1°	62.6°
N2	C10	C12	H13	161.8°	57.4°
N2	C10	C11	N3	49.6°	52.5°
H10	N2	C10	C11	102.7°	23.4°
H10	N2	C10	C12	23.7°	142.8°
H10	N2	C10	H11	138.7°	96.2°
C11	C10	C12	H11	115.3°	121.0°
C10	C11	O2	N3	175.7°	180.0°
C11	C10	C12	C13	153.3°	59.3°
C11	C10	C12	H12	86.0°	179.4°
C11	C10	C12	H13	32.6°	60.6°
C10	C11	N3	C19	178.2°	64.4°
C10	C11	N3	C23	5.9°	111.1°
C11	C10	N2	C2	77.3°	156.7°
C12	C10	C11	O2	99.3°	8.0°
C10	C12	C13	H12	120.7°	120.0°
C10	C12	C13	H13	120.7°	120.0°
C10	C12	H12	H13	117.9°	120.0°
C10	C12	C13	C14	94.8°	79.6°
C10	C12	C13	C15	83.6°	100.7°
C12	C10	N2	C2	156.3°	37.2°
C12	C10	C11	N3	76.1°	172.0°
H11	C10	C11	O2	15.9°	113.0°
H11	C10	C12	C13	38.1°	61.7°
H11	C10	C12	H12	158.7°	58.4°
H11	C10	C12	H13	82.6°	178.4°
H11	C10	N2	C2	41.2°	83.8°
H11	C10	C11	N3	168.7°	67.0°
O2	C11	N3	C19	6.5°	115.7°
O2	C11	N3	C23	178.8°	68.9°
C13	C12	H12	H13	117.9°	120.0°
C12	C13	C14	C15	178.5°	179.7°
C12	C13	C14	C16	177.6°	180.0°
C12	C13	C14	H14	2.4°	0.1°
C12	C13	C15	C17	178.0°	180.0°
C12	C13	C15	H15	2.0°	0.0°
H12	C12	C13	C14	25.8°	40.4°
H12	C12	C13	C15	155.7°	139.3°
H13	C12	C13	C14	144.5°	160.4°
H13	C12	C13	C15	37.1°	19.2°
C13	C14	C16	H14	180.0°	180.0°
C14	C13	C15	C17	0.5°	0.3°
C14	C13	C15	H15	179.5°	179.7°
C13	C14	C16	C18	1.5°	0.0°
C13	C14	C16	H16	178.5°	180.0°
C15	C13	C14	C16	0.9°	0.3°
C15	C13	C14	H14	179.1°	179.7°
C13	C15	C17	H15	180.0°	180.0°
C13	C15	C17	C18	0.6°	NaN°
C13	C15	C17	H17	179.4°	180.0°
C14	C16	C18	H16	180.0°	180.0°
C14	C16	C18	C17	1.6°	0.3°
C14	C16	C18	H18	178.4°	180.0°
H14	C14	C16	C18	178.5°	180.0°
H14	C14	C16	H16	1.5°	0.0°
C15	C17	C18	C16	1.2°	0.3°
C15	C17	C18	H17	180.0°	180.0°
C15	C17	C18	H18	178.8°	180.0°
H15	C15	C17	C18	179.4°	180.0°
H15	C15	C17	H17	0.6°	0.0°
C16	C18	C17	H18	180.0°	179.7°
C16	C18	C17	H17	178.9°	179.7°
H16	C16	C18	C17	178.4°	179.8°
H16	C16	C18	H18	1.6°	0.0°
H17	C17	C18	H18	1.1°	0.1°
C19	N3	C23	C11	172.2°	175.5°
N3	C19	C20	H19	120.7°	120.4°
N3	C19	C20	H20	120.7°	120.3°
N3	C19	H19	H20	117.7°	119.3°
N3	C19	C20	C21	45.4°	52.8°
N3	C19	C20	H21	165.7°	172.7°
N3	C19	C20	H22	74.9°	67.0°
C19	N3	C23	C22	40.9°	45.5°
C19	N3	C23	C24	84.5°	76.6°
C19	N3	C23	H27	158.9°	165.6°
C23	N3	C19	C20	40.0°	47.2°
C23	N3	C19	H19	80.7°	73.2°
C23	N3	C19	H20	160.8°	167.5°
N3	C23	C22	C21	49.2°	50.6°
N3	C23	C22	C24	123.4°	120.2°
N3	C23	C22	H27	118.5°	119.5°
N3	C23	C22	H25	169.7°	171.1°
N3	C23	C22	H26	71.4°	69.8°
N3	C23	C24	H27	117.3°	117.8°
N3	C23	C24	O3	5.5°	36.0°
N3	C23	C24	N4	175.1°	144.0°
C20	C19	H19	H20	117.7°	119.3°
C19	C20	C21	H21	120.3°	119.9°
C19	C20	C21	H22	120.3°	119.9°
C19	C20	H21	H22	119.1°	120.2°
C19	C20	C21	C22	54.4°	61.4°
C19	C20	C21	H23	65.8°	58.4°
C19	C20	C21	H24	174.6°	178.9°
C20	C19	N3	C11	147.4°	137.5°
H19	C19	C20	C21	75.3°	67.6°
H19	C19	C20	H21	45.0°	52.3°
H19	C19	C20	H22	164.4°	172.6°
H19	C19	N3	C11	91.9°	102.1°
H20	C19	C20	C21	166.1°	173.1°
H20	C19	C20	H21	73.6°	67.0°
H20	C19	C20	H22	45.8°	53.3°
H20	C19	N3	C11	26.7°	17.2°
C21	C20	H21	H22	119.1°	120.2°
C20	C21	C22	H23	120.1°	119.8°
C20	C21	C22	H24	120.2°	119.8°
C20	C21	H23	H24	119.5°	120.4°
C20	C21	C22	C23	57.5°	61.2°
C20	C21	C22	H25	178.1°	178.3°
C20	C21	C22	H26	63.0°	59.2°
H21	C20	C21	C22	174.7°	178.7°
H21	C20	C21	H23	54.5°	61.5°
H21	C20	C21	H24	65.1°	59.0°
H22	C20	C21	C22	65.9°	58.5°
H22	C20	C21	H23	173.9°	178.3°
H22	C20	C21	H24	54.3°	61.2°
C22	C21	H23	H24	119.5°	120.3°
C21	C22	C23	H25	120.6°	120.5°
C21	C22	C23	H26	120.5°	120.4°
C21	C22	H25	H26	118.3°	119.2°
C21	C22	C23	C24	74.2°	69.6°
C21	C22	C23	H27	167.7°	170.1°
H23	C21	C22	C23	62.6°	58.7°
H23	C21	C22	H25	57.9°	61.9°
H23	C21	C22	H26	176.8°	179.1°
H24	C21	C22	C23	177.7°	179.0°
H24	C21	C22	H25	61.8°	58.5°
H24	C21	C22	H26	57.1°	60.6°
C23	C22	H25	H26	118.3°	119.1°
C22	C23	C24	H27	118.2°	120.9°
C22	C23	C24	O3	119.0°	85.3°
C22	C23	N3	C11	146.9°	138.9°
C22	C23	C24	N4	60.4°	94.7°
H25	C22	C23	C24	46.4°	50.9°
H25	C22	C23	H27	71.7°	69.4°
H26	C22	C23	C24	165.3°	170.0°
H26	C22	C23	H27	47.2°	49.7°
C23	C24	O3	N4	179.4°	180.0°
C23	C24	N4	C31	172.1°	159.7°
C23	C24	N4	H40	7.9°	20.3°
C24	C23	N3	C11	87.7°	99.0°
H27	C23	C24	O3	122.8°	153.8°
H27	C23	N3	C11	28.9°	18.8°
H27	C23	C24	N4	57.8°	26.2°
O3	C24	N4	C31	8.5°	20.3°
O3	C24	N4	H40	171.5°	159.7°
O7	C33	C34	C25	100.4°	106.8°
O7	C33	C34	H42	106.8°	106.8°
O7	C33	C25	H42	139.7°	146.9°
O7	C33	C25	O4	169.1°	133.6°
O7	C33	C25	C26	47.4°	106.4°
O7	C33	C25	O6	77.4°	13.7°
O7	C33	C34	H43	109.3°	106.8°
O7	C33	C34	H44	109.3°	106.9°
C34	C33	C25	H42	153.0°	147.0°
C34	C33	C25	O4	101.8°	67.6°
C34	C33	C25	C26	19.9°	172.4°
C34	C33	C25	O6	144.7°	52.4°
C33	C34	H43	H44	145.1°	147.0°
C33	C25	O4	C26	124.9°	120.1°
C33	C25	O4	O6	114.8°	120.0°
C33	C25	C26	O6	122.5°	120.0°
C33	C25	C26	C27	179.8°	180.0°
C33	C25	O4	H28	180.0°	60.1°
C33	C25	C26	H29	59.4°	60.0°
C33	C25	C26	H30	59.1°	59.9°
C33	C25	O6	H41	180.0°	60.0°
C25	C33	C34	H43	8.9°	0.0°
C25	C33	C34	H44	150.3°	146.3°
O4	C25	C26	O6	116.6°	120.0°
O4	C25	C26	C27	59.4°	60.0°
O4	C25	C26	H29	61.4°	180.0°
O4	C25	C26	H30	179.9°	60.1°
O4	C25	O6	H41	65.1°	179.9°
O4	C25	C33	H42	51.2°	79.5°
O7	C34	H43	H44	145.0°	147.0°
C25	C26	C27	H29	120.8°	120.0°
C25	C26	C27	H30	120.8°	120.0°
C25	C26	C27	C28	160.3°	NaN°
C26	C25	O4	H28	55.1°	60.0°
C25	C26	H29	H30	117.7°	119.9°
C25	C26	C27	H31	39.8°	60.0°
C25	C26	C27	H32	79.3°	60.0°
C26	C25	O6	H41	53.6°	60.1°
C26	C25	C33	H42	172.9°	40.6°
O6	C25	C26	C27	57.3°	60.0°
O6	C25	O4	H28	65.3°	180.0°
O6	C25	C26	H29	178.0°	60.1°
O6	C25	C26	H30	63.5°	180.0°
O6	C25	C33	H42	62.4°	160.6°
C26	C27	C28	H31	120.4°	120.0°
C26	C27	C28	H32	120.4°	120.1°
C26	C27	C28	C29	171.0°	180.0°
C27	C26	H29	H30	117.6°	120.0°
C26	C27	H31	H32	118.6°	120.0°
C26	C27	C28	H33	50.4°	60.0°
C26	C27	C28	H34	68.4°	60.0°
O5	C32	C31	N1	179.2°	179.8°
O5	C32	C31	C30	101.2°	46.4°
O5	C32	C31	N4	137.7°	73.0°
O5	C32	C31	H39	20.6°	167.4°
C32	C31	C30	C29	65.2°	177.1°
C32	C31	C30	N4	118.7°	117.8°
C32	C31	C30	H39	121.7°	121.1°
C32	C31	N4	H39	116.8°	119.6°
C32	C31	C30	H37	55.5°	57.2°
C32	C31	C30	H38	174.1°	62.8°
C32	C31	N4	H40	129.0°	104.9°
C32	C31	N4	C24	51.0°	75.1°
C27	C28	C29	H33	120.6°	120.0°
C27	C28	C29	H34	120.6°	120.0°
C27	C28	C29	C30	173.2°	180.0°
C28	C27	C26	H29	79.0°	60.0°
C28	C27	C26	H30	39.5°	60.0°
C28	C27	H31	H32	118.7°	119.9°
C27	C28	H33	H34	118.2°	120.0°
C27	C28	C29	H35	52.9°	60.0°
C27	C28	C29	H36	66.5°	60.0°
C28	C29	C30	H35	120.3°	120.0°
C28	C29	C30	H36	120.3°	120.0°
C28	C29	C30	C31	179.0°	180.0°
C29	C28	C27	H31	68.6°	60.0°
C29	C28	C27	H32	50.6°	59.9°
C29	C28	H33	H34	118.2°	119.9°
C28	C29	H35	H36	119.1°	119.9°
C28	C29	C30	H37	60.3°	60.0°
C28	C29	C30	H38	58.3°	60.0°
C29	C30	C31	H37	120.7°	120.0°
C29	C30	C31	H38	120.7°	120.1°
C29	C30	C31	N4	176.1°	65.0°
C30	C29	C28	H33	66.2°	60.0°
C30	C29	C28	H34	52.6°	59.9°
C30	C29	H35	H36	119.1°	120.0°
C29	C30	H37	H38	117.9°	120.0°
C29	C30	C31	H39	56.5°	56.0°
C30	C31	N4	H39	119.3°	121.1°
C31	C30	C29	H35	58.7°	60.0°
C31	C30	C29	H36	60.7°	59.9°
C31	C30	H37	H38	118.0°	120.0°
C30	C31	N4	H40	5.2°	14.4°
C30	C31	C32	N1	79.6°	133.9°
C30	C31	N4	C24	174.8°	165.6°
N4	C31	C30	H37	63.3°	175.0°
N4	C31	C30	H38	55.4°	55.1°
C31	N4	H40	C24	180.0°	180.0°
N4	C31	C32	N1	41.5°	106.7°
H29	C26	C27	H31	160.6°	NaN°
H29	C26	C27	H32	41.5°	60.0°
H30	C26	C27	H31	80.9°	60.0°
H30	C26	C27	H32	159.9°	180.0°
H31	C27	C28	H33	170.8°	180.0°
H31	C27	C28	H34	52.0°	60.1°
H32	C27	C28	H33	70.0°	60.1°
H32	C27	C28	H34	171.2°	180.0°
H33	C28	C29	H35	173.5°	180.0°
H33	C28	C29	H36	54.1°	60.1°
H34	C28	C29	H35	67.7°	60.1°
H34	C28	C29	H36	172.9°	180.0°
H35	C29	C30	H37	179.4°	180.0°
H35	C29	C30	H38	62.0°	60.0°
H36	C29	C30	H37	60.0°	60.0°
H36	C29	C30	H38	178.6°	180.0°
H37	C30	C31	H39	177.2°	63.9°
H38	C30	C31	H39	64.1°	176.1°
H39	C31	N4	H40	114.2°	135.4°
H39	C31	C32	N1	158.6°	12.8°
H39	C31	N4	C24	65.8°	44.6°
H42	C33	C34	H43	143.9°	146.4°
H42	C33	C34	H44	2.4°	0.1°

Release date:	2017-09-13
Last modified:	2023-11-03
Processing site:	PDBE