PRD_001215

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	1.53Å	0.00Å
C3	H4	sing	1.09Å	0.00Å
C3	H5	sing	1.09Å	0.00Å
C4	C5	sing	1.51Å	0.00Å
C4	H6	sing	1.09Å	0.00Å
C4	H7	sing	1.09Å	0.00Å
C5	O2	doub	1.21Å	0.00Å
C5	N2	sing	1.35Å	0.00Å
N2	H8	sing	0.97Å	0.00Å
N2	H9	sing	0.97Å	0.00Å
N3	C6	sing	1.47Å	121.73Å
N3	H10	sing	0.97Å	0.00Å
C6	C7	sing	1.51Å	1.52Å
C6	C8	sing	1.53Å	1.49Å
C6	H11	sing	1.09Å	1.10Å
C7	O3	doub	1.21Å	1.21Å
C8	C9	sing	1.51Å	1.53Å
C8	H12	sing	1.09Å	1.10Å
C8	H13	sing	1.09Å	1.10Å
C9	C10	doub	1.38Å	1.50Å	Aromatic
C9	C11	sing	1.38Å	1.53Å	Aromatic
C10	C12	sing	1.38Å	1.54Å	Aromatic
C10	H14	sing	1.08Å	1.08Å
C11	C13	doub	1.38Å	1.57Å	Aromatic
C11	H15	sing	1.08Å	1.08Å
C12	C14	doub	1.38Å	1.52Å	Aromatic
C12	H16	sing	1.08Å	1.08Å
C13	C14	sing	1.38Å	1.50Å	Aromatic
C13	H17	sing	1.08Å	1.08Å
C14	H18	sing	1.08Å	1.08Å
O5	C30	doub	1.21Å	1.21Å
C30	C29	sing	1.51Å	1.51Å
N4	C29	sing	1.47Å	1.44Å
C29	C28	sing	1.53Å	1.51Å
C28	C25	sing	1.51Å	1.52Å
C25	C26	doub	1.38Å	1.39Å	Aromatic
C25	C18	sing	1.38Å	1.39Å	Aromatic
C26	C27	sing	1.38Å	1.38Å	Aromatic
C18	C19	doub	1.38Å	1.41Å	Aromatic
C27	C15	doub	1.40Å	1.40Å	Aromatic
C19	C15	sing	1.40Å	1.39Å	Aromatic
C15	C16	sing	1.48Å	1.53Å
C16	O4	doub	1.22Å	1.22Å
C16	C23	sing	1.48Å	1.53Å
C22	C23	doub	1.40Å	1.40Å	Aromatic
C22	C20	sing	1.38Å	1.40Å	Aromatic
C23	C17	sing	1.40Å	1.41Å	Aromatic
C20	C21	doub	1.38Å	1.39Å	Aromatic
C17	C24	doub	1.38Å	1.39Å	Aromatic
C21	C24	sing	1.38Å	1.41Å	Aromatic
C17	H19	sing	1.08Å	1.08Å
C18	H20	sing	1.08Å	1.08Å
C19	H21	sing	1.08Å	1.08Å
C20	H22	sing	1.08Å	1.08Å
C21	H23	sing	1.08Å	1.08Å
C22	H24	sing	1.08Å	1.08Å
N4	H25	sing	0.97Å	1.00Å
C24	H26	sing	1.08Å	1.08Å
C26	H27	sing	1.08Å	1.08Å
C27	H28	sing	1.08Å	1.08Å
C28	H29	sing	1.09Å	1.10Å
C28	H30	sing	1.09Å	1.10Å
C29	H31	sing	1.09Å	1.10Å
N5	C31	sing	1.47Å	1.46Å
N5	H32	sing	0.97Å	1.00Å
C31	C32	sing	1.53Å	1.51Å
C31	C36	sing	1.51Å	1.52Å
C31	H33	sing	1.09Å	1.10Å
C32	C33	sing	1.53Å	1.54Å
C32	H34	sing	1.09Å	1.10Å
C32	H35	sing	1.09Å	1.10Å
C33	C34	sing	1.53Å	1.55Å
C33	H36	sing	1.09Å	1.10Å
C33	H37	sing	1.09Å	1.10Å
C34	C35	sing	1.53Å	1.54Å
C34	H38	sing	1.09Å	1.10Å
C34	H39	sing	1.09Å	1.10Å
C35	N6	sing	1.47Å	1.44Å
C35	H40	sing	1.09Å	1.10Å
C35	H41	sing	1.09Å	1.10Å
N6	H42	sing	1.01Å	1.00Å
N6	H43	sing	1.01Å	1.00Å
C36	O6	doub	1.21Å	1.22Å
C36	N7	sing	1.35Å	1.46Å
N7	H44	sing	0.97Å	1.00Å
N7	H45	sing	0.97Å	1.00Å
C37	O7	doub	1.22Å	1.21Å
C37	C38	sing	1.48Å	1.55Å
C38	C39	doub	1.34Å	1.38Å
C38	H46	sing	1.08Å	1.08Å
C39	C40	sing	1.47Å	1.53Å
C39	H47	sing	1.08Å	1.08Å
C40	O8	doub	1.21Å	1.20Å
C40	O9	sing	1.35Å	116.08Å
O9	H48	sing	0.97Å	0.00Å
C2	N3	sing	1.35Å	0.00Å
C7	N4	sing	1.35Å	1.43Å
C30	N6	sing	1.40Å	1.44Å
N5	C37	sing	1.35Å	1.49Å

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°	111.0°
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°	111.0°
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°	109.4°
C1	C3	C4	90.0°	109.4°
C1	C3	H4	90.0°	109.5°
C1	C3	H5	90.0°	109.4°
O1	C2	N3	90.0°	120.0°
C4	C3	H4	90.0°	109.5°
C4	C3	H5	90.0°	109.5°
C3	C4	C5	90.0°	109.4°
C3	C4	H6	90.0°	109.5°
C3	C4	H7	90.0°	109.5°
H4	C3	H5	90.0°	109.5°
C5	C4	H6	90.0°	109.5°
C5	C4	H7	90.0°	109.5°
C4	C5	O2	90.0°	120.0°
C4	C5	N2	90.0°	120.0°
H6	C4	H7	90.0°	109.5°
O2	C5	N2	90.0°	120.0°
C5	N2	H8	90.0°	120.0°
C5	N2	H9	90.0°	120.0°
H8	N2	H9	90.0°	120.0°
C6	N3	H10	90.0°	120.0°
N3	C6	C7	50.1°	109.5°
N3	C6	C8	130.1°	109.5°
N3	C6	H11	90.4°	109.5°
C6	N3	C2	90.0°	120.0°
H10	N3	C2	90.0°	120.0°
C7	C6	C8	105.1°	109.5°
C7	C6	H11	127.1°	109.5°
C6	C7	O3	118.7°	120.0°
C6	C7	N4	123.8°	120.0°
C8	C6	H11	127.8°	109.4°
C6	C8	C9	111.5°	109.5°
C6	C8	H12	108.9°	109.5°
C6	C8	H13	108.9°	109.5°
O3	C7	N4	117.5°	119.9°
C9	C8	H12	109.0°	109.4°
C9	C8	H13	109.0°	109.5°
C8	C9	C10	110.8°	120.0°
C8	C9	C11	109.4°	120.0°
H12	C8	H13	109.5°	109.5°
C10	C9	C11	106.9°	120.0°
C9	C10	C12	112.4°	120.0°
C9	C10	H14	123.8°	119.9°
C9	C11	C13	115.1°	120.0°
C9	C11	H15	122.4°	120.0°
C12	C10	H14	123.8°	120.1°
C10	C12	C14	114.8°	120.0°
C10	C12	H16	122.6°	120.0°
C13	C11	H15	122.5°	120.0°
C11	C13	C14	116.0°	120.0°
C11	C13	H17	122.0°	120.0°
C14	C12	H16	122.6°	120.0°
C12	C14	C13	109.0°	120.0°
C12	C14	H18	125.5°	120.0°
C14	C13	H17	122.0°	120.0°
C13	C14	H18	125.5°	120.0°
O5	C30	C29	122.0°	120.0°
O5	C30	N6	120.1°	120.0°
C30	C29	N4	111.4°	109.5°
C30	C29	C28	103.4°	109.5°
C30	C29	H31	108.7°	109.5°
C29	C30	N6	117.9°	120.0°
N4	C29	C28	114.6°	109.4°
C29	N4	H25	123.0°	120.0°
N4	C29	H31	109.7°	109.5°
C29	N4	C7	114.1°	120.0°
C29	C28	C25	105.0°	109.5°
C29	C28	H29	110.6°	109.5°
C29	C28	H30	110.6°	109.5°
C28	C29	H31	108.7°	109.5°
C28	C25	C26	118.2°	119.9°
C28	C25	C18	121.2°	119.8°
C25	C28	H29	110.6°	109.5°
C25	C28	H30	110.6°	109.5°
C26	C25	C18	120.6°	120.3°
C25	C26	C27	120.3°	120.1°
C25	C26	H27	119.8°	119.9°
C25	C18	C19	118.7°	120.2°
C25	C18	H20	120.7°	119.9°
C26	C27	C15	119.9°	119.9°
C27	C26	H27	119.8°	120.0°
C26	C27	H28	120.0°	120.1°
C18	C19	C15	120.7°	119.8°
C19	C18	H20	120.6°	119.9°
C18	C19	H21	119.6°	120.1°
C27	C15	C19	119.6°	119.7°
C27	C15	C16	117.4°	120.2°
C15	C27	H28	120.0°	120.0°
C19	C15	C16	122.9°	120.1°
C15	C19	H21	119.6°	120.1°
C15	C16	O4	118.5°	120.0°
C15	C16	C23	123.4°	120.0°
O4	C16	C23	118.1°	120.0°
C16	C23	C22	119.2°	120.1°
C16	C23	C17	119.9°	120.2°
C23	C22	C20	119.2°	119.8°
C22	C23	C17	121.0°	119.7°
C23	C22	H24	120.4°	120.1°
C22	C20	C21	120.7°	120.2°
C22	C20	H22	119.7°	119.9°
C20	C22	H24	120.4°	120.1°
C23	C17	C24	119.0°	119.9°
C23	C17	H19	120.5°	120.1°
C20	C21	C24	119.9°	120.3°
C21	C20	H22	119.7°	119.9°
C20	C21	H23	120.0°	119.9°
C17	C24	C21	120.2°	120.1°
C24	C17	H19	120.5°	120.1°
C17	C24	H26	119.9°	120.0°
C24	C21	H23	120.0°	119.8°
C21	C24	H26	119.9°	119.9°
H25	N4	C7	122.9°	120.0°
H29	C28	H30	109.5°	109.4°
C31	N5	H32	115.4°	120.0°
N5	C31	C32	108.0°	109.5°
N5	C31	C36	113.8°	109.5°
N5	C31	H33	107.0°	109.4°
C31	N5	C37	129.1°	120.0°
H32	N5	C37	115.4°	120.0°
C32	C31	C36	114.9°	109.5°
C32	C31	H33	106.4°	109.5°
C31	C32	C33	110.6°	109.5°
C31	C32	H34	109.2°	109.5°
C31	C32	H35	109.2°	109.5°
C36	C31	H33	106.3°	109.4°
C31	C36	O6	123.1°	120.0°
C31	C36	N7	119.4°	120.0°
C33	C32	H34	109.2°	109.4°
C33	C32	H35	109.2°	109.5°
C32	C33	C34	107.8°	109.5°
C32	C33	H36	109.9°	109.5°
C32	C33	H37	109.9°	109.5°
H34	C32	H35	109.5°	109.5°
C34	C33	H36	109.9°	109.5°
C34	C33	H37	109.9°	109.5°
C33	C34	C35	114.3°	109.5°
C33	C34	H38	108.2°	109.5°
C33	C34	H39	108.2°	109.5°
H36	C33	H37	109.5°	109.4°
C35	C34	H38	108.2°	109.5°
C35	C34	H39	108.3°	109.4°
C34	C35	N6	101.3°	109.5°
C34	C35	H40	111.5°	109.5°
C34	C35	H41	111.5°	109.4°
H38	C34	H39	109.5°	109.5°
N6	C35	H40	111.5°	109.5°
N6	C35	H41	111.5°	109.5°
C35	N6	H42	107.6°	109.5°
C35	N6	H43	107.6°	109.5°
C35	N6	C30	116.7°	109.4°
H40	C35	H41	109.5°	109.5°
H42	N6	H43	109.5°	109.5°
H42	N6	C30	107.7°	109.5°
H43	N6	C30	107.6°	109.5°
O6	C36	N7	117.5°	120.0°
C36	N7	H44	120.0°	120.0°
C36	N7	H45	120.0°	120.0°
H44	N7	H45	120.0°	119.9°
O7	C37	C38	118.3°	120.0°
O7	C37	N5	118.9°	120.0°
C37	C38	C39	122.2°	120.0°
C37	C38	H46	118.9°	120.0°
C38	C37	N5	122.8°	120.0°
C39	C38	H46	118.9°	120.1°
C38	C39	C40	117.6°	120.0°
C38	C39	H47	121.2°	120.0°
C40	C39	H47	121.2°	120.1°
C39	C40	O8	119.1°	120.1°
C39	C40	O9	69.6°	120.0°
O8	C40	O9	142.3°	120.0°
C40	O9	H48	90.0°	117.0°

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°	120.1°
N1	C1	C3	H3	90.0°	120.0°
N1	C1	C2	O1	90.0°	19.9°
N1	C1	C3	C4	90.0°	65.0°
N1	C1	C3	H4	90.0°	174.9°
N1	C1	C3	H5	90.0°	55.0°
N1	C1	C2	N3	90.0°	160.0°
H1	N1	C1	C2	90.0°	59.9°
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°	176.0°
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°	65.0°
C1	C2	N3	C6	90.0°	179.9°
C1	C2	N3	H10	90.0°	0.1°
C3	C1	C2	O1	90.0°	100.1°
C1	C3	C4	H4	90.0°	120.0°
C1	C3	C4	H5	90.0°	119.9°
C1	C3	H4	H5	90.0°	119.9°
C1	C3	C4	C5	90.0°	180.0°
C1	C3	C4	H6	90.0°	60.0°
C1	C3	C4	H7	90.0°	60.0°
C3	C1	C2	N3	90.0°	80.0°
H3	C1	C2	O1	90.0°	140.0°
H3	C1	C3	C4	90.0°	55.0°
H3	C1	C3	H4	90.0°	65.0°
H3	C1	C3	H5	90.0°	175.0°
H3	C1	C2	N3	90.0°	39.9°
O1	C2	N3	C6	90.0°	0.0°
O1	C2	N3	H10	90.0°	180.0°
C4	C3	H4	H5	90.0°	120.1°
C3	C4	C5	H6	90.0°	120.1°
C3	C4	C5	H7	90.0°	120.0°
C3	C4	H6	H7	90.0°	120.0°
C3	C4	C5	O2	90.0°	0.0°
C3	C4	C5	N2	90.0°	180.0°
H4	C3	C4	C5	90.0°	60.0°
H4	C3	C4	H6	90.0°	180.0°
H4	C3	C4	H7	90.0°	60.0°
H5	C3	C4	C5	90.0°	60.1°
H5	C3	C4	H6	90.0°	59.9°
H5	C3	C4	H7	90.0°	180.0°
C5	C4	H6	H7	90.0°	120.0°
C4	C5	O2	N2	90.0°	180.0°
C4	C5	N2	H8	90.0°	0.0°
C4	C5	N2	H9	90.0°	180.0°
H6	C4	C5	O2	90.0°	120.1°
H6	C4	C5	N2	90.0°	60.0°
H7	C4	C5	O2	90.0°	120.0°
H7	C4	C5	N2	90.0°	60.0°
O2	C5	N2	H8	90.0°	180.0°
O2	C5	N2	H9	90.0°	0.1°
C5	N2	H8	H9	90.0°	179.9°
C6	N3	H10	C2	90.0°	180.0°
N3	C6	C7	C8	130.1°	120.0°
N3	C6	C7	H11	51.8°	120.1°
N3	C6	C8	H11	131.8°	120.0°
N3	C6	C7	O3	151.8°	0.1°
N3	C6	C8	C9	159.6°	65.0°
N3	C6	C8	H12	39.3°	55.0°
N3	C6	C8	H13	80.1°	175.0°
N3	C6	C7	N4	27.5°	180.0°
H10	N3	C6	C7	90.0°	25.0°
H10	N3	C6	C8	90.0°	95.0°
H10	N3	C6	H11	90.0°	145.1°
C7	C6	C8	H11	178.1°	120.0°
C6	C7	O3	N4	179.3°	179.9°
C7	C6	C8	C9	150.3°	175.0°
C7	C6	C8	H12	89.4°	65.0°
C7	C6	C8	H13	30.0°	55.0°
C6	C7	N4	C29	179.0°	179.9°
C6	C7	N4	H25	1.0°	0.1°
C7	C6	N3	C2	90.0°	155.1°
C8	C6	C7	O3	21.7°	120.1°
C6	C8	C9	H12	120.3°	120.0°
C6	C8	C9	H13	120.3°	120.0°
C6	C8	H12	H13	119.0°	120.0°
C6	C8	C9	C10	156.1°	90.0°
C6	C8	C9	C11	86.2°	90.3°
C8	C6	N3	C2	90.0°	85.0°
C8	C6	C7	N4	157.6°	60.1°
H11	C6	C7	O3	156.4°	120.0°
H11	C6	C8	C9	27.8°	55.0°
H11	C6	C8	H12	92.5°	175.0°
H11	C6	C8	H13	148.1°	65.0°
H11	C6	N3	C2	90.0°	35.0°
H11	C6	C7	N4	24.3°	59.9°
O3	C7	N4	C29	0.3°	0.1°
O3	C7	N4	H25	179.7°	180.0°
C9	C8	H12	H13	119.1°	120.0°
C8	C9	C10	C11	119.2°	179.8°
C8	C9	C10	C12	179.7°	180.0°
C8	C9	C10	H14	0.4°	0.0°
C8	C9	C11	C13	133.7°	180.0°
C8	C9	C11	H15	46.3°	0.0°
H12	C8	C9	C10	83.6°	30.0°
H12	C8	C9	C11	34.1°	149.7°
H13	C8	C9	C10	35.9°	150.0°
H13	C8	C9	C11	153.5°	29.7°
C9	C10	C12	H14	180.0°	180.0°
C10	C9	C11	C13	13.7°	0.3°
C10	C9	C11	H15	166.3°	179.7°
C9	C10	C12	C14	55.6°	0.0°
C9	C10	C12	H16	124.4°	180.0°
C11	C9	C10	C12	60.5°	0.3°
C11	C9	C10	H14	119.5°	179.7°
C9	C11	C13	H15	180.0°	180.0°
C9	C11	C13	C14	42.0°	0.0°
C9	C11	C13	H17	138.0°	180.0°
C10	C12	C14	H16	180.0°	180.0°
C10	C12	C14	C13	1.4°	0.2°
C10	C12	C14	H18	178.7°	180.0°
H14	C10	C12	C14	124.4°	180.0°
H14	C10	C12	H16	55.6°	0.0°
C11	C13	C14	C12	48.0°	0.2°
C11	C13	C14	H17	180.0°	179.9°
C11	C13	C14	H18	132.0°	180.0°
H15	C11	C13	C14	138.0°	180.0°
H15	C11	C13	H17	42.0°	0.1°
C12	C14	C13	H18	180.0°	179.8°
C12	C14	C13	H17	132.0°	179.7°
H16	C12	C14	C13	178.6°	179.8°
H16	C12	C14	H18	1.3°	0.0°
H17	C13	C14	H18	47.9°	0.1°
O5	C30	C29	N6	178.9°	180.0°
O5	C30	C29	N4	103.7°	0.0°
O5	C30	C29	C28	132.7°	120.0°
O5	C30	C29	H31	17.3°	120.0°
O5	C30	N6	C35	1.3°	0.0°
O5	C30	N6	H42	122.3°	120.0°
O5	C30	N6	H43	119.8°	120.0°
C30	C29	N4	C28	117.0°	120.0°
C30	C29	N4	H31	120.4°	120.0°
C30	C29	C28	H31	115.4°	120.0°
C30	C29	C28	C25	141.3°	175.0°
C30	C29	N4	H25	98.1°	25.0°
C30	C29	C28	H29	22.1°	65.0°
C30	C29	C28	H30	99.4°	55.0°
C29	C30	N6	C35	177.6°	180.0°
C29	C30	N6	H42	56.6°	60.0°
C29	C30	N6	H43	61.3°	60.0°
C30	C29	N4	C7	81.9°	155.0°
N4	C29	C28	H31	123.1°	120.0°
N4	C29	C28	C25	97.2°	65.0°
C29	N4	H25	C7	180.0°	180.0°
N4	C29	C28	H29	143.5°	55.0°
N4	C29	C28	H30	22.1°	174.9°
N4	C29	C30	N6	77.5°	180.0°
C29	C28	C25	H29	119.3°	120.0°
C29	C28	C25	H30	119.3°	120.0°
C29	C28	C25	C26	100.7°	90.0°
C29	C28	C25	C18	77.9°	90.3°
C28	C29	N4	H25	18.9°	95.0°
C29	C28	H29	H30	122.1°	120.0°
C28	C29	N4	C7	161.1°	85.0°
C28	C29	C30	N6	46.1°	60.0°
C28	C25	C26	C18	178.6°	179.7°
C28	C25	C26	C27	179.8°	180.0°
C28	C25	C18	C19	179.7°	180.0°
C28	C25	C18	H20	0.3°	0.0°
C28	C25	C26	H27	0.1°	0.3°
C25	C28	H29	H30	122.0°	120.0°
C25	C28	C29	H31	25.9°	55.0°
C25	C26	C27	H27	180.0°	179.7°
C26	C25	C18	C19	1.2°	0.3°
C25	C26	C27	C15	0.3°	0.0°
C26	C25	C18	H20	178.8°	179.7°
C25	C26	C27	H28	179.7°	180.0°
C26	C25	C28	H29	140.0°	150.0°
C26	C25	C28	H30	18.6°	30.0°
C18	C25	C26	C27	1.3°	0.3°
C25	C18	C19	H20	180.0°	180.0°
C25	C18	C19	C15	0.1°	0.0°
C25	C18	C19	H21	179.9°	180.0°
C18	C25	C26	H27	178.7°	180.0°
C18	C25	C28	H29	41.4°	29.7°
C18	C25	C28	H30	162.8°	149.7°
C26	C27	C15	H28	180.0°	180.0°
C26	C27	C15	C19	0.8°	0.3°
C26	C27	C15	C16	179.4°	180.0°
C18	C19	C15	C27	0.9°	0.3°
C18	C19	C15	H21	180.0°	180.0°
C18	C19	C15	C16	179.4°	180.0°
C27	C15	C19	C16	178.5°	179.7°
C27	C15	C16	O4	67.7°	145.8°
C27	C15	C16	C23	112.2°	34.1°
C27	C15	C19	H21	179.1°	179.7°
C15	C27	C26	H27	179.7°	179.7°
C19	C15	C16	O4	110.8°	33.9°
C19	C15	C16	C23	69.2°	146.1°
C15	C19	C18	H20	179.9°	180.0°
C19	C15	C27	H28	179.2°	179.7°
C15	C16	O4	C23	179.9°	180.0°
C15	C16	C23	C22	19.5°	7.5°
C15	C16	C23	C17	160.9°	172.4°
C16	C15	C19	H21	0.5°	0.0°
C16	C15	C27	H28	0.5°	0.0°
O4	C16	C23	C22	160.4°	172.5°
O4	C16	C23	C17	19.1°	7.5°
C16	C23	C22	C17	179.5°	180.0°
C16	C23	C22	C20	179.6°	179.5°
C16	C23	C17	C24	179.8°	180.0°
C16	C23	C17	H19	0.2°	0.2°
C16	C23	C22	H24	0.4°	0.0°
C23	C22	C20	H24	180.0°	179.5°
C23	C22	C20	C21	0.6°	0.8°
C22	C23	C17	C24	0.3°	0.1°
C22	C23	C17	H19	179.7°	179.7°
C23	C22	C20	H22	179.4°	179.7°
C20	C22	C23	C17	0.9°	0.5°
C22	C20	C21	H22	180.0°	179.5°
C22	C20	C21	C24	0.4°	0.5°
C22	C20	C21	H23	179.6°	179.9°
C23	C17	C24	H19	180.0°	179.8°
C23	C17	C24	C21	0.7°	0.2°
C17	C23	C22	H24	179.1°	179.9°
C23	C17	C24	H26	179.3°	179.7°
C20	C21	C24	C17	1.1°	0.1°
C20	C21	C24	H23	180.0°	179.4°
C21	C20	C22	H24	179.4°	179.7°
C20	C21	C24	H26	178.9°	180.0°
C17	C24	C21	H26	180.0°	179.9°
C17	C24	C21	H23	178.9°	179.4°
C21	C24	C17	H19	179.3°	180.0°
C24	C21	C20	H22	179.6°	180.0°
H19	C17	C24	H26	0.7°	0.1°
H20	C18	C19	H21	0.1°	0.0°
H22	C20	C21	H23	0.4°	0.6°
H22	C20	C22	H24	0.6°	0.2°
H23	C21	C24	H26	1.1°	0.6°
H25	N4	C29	H31	141.5°	145.0°
H27	C26	C27	H28	0.3°	0.3°
H29	C28	C29	H31	93.4°	175.0°
H30	C28	C29	H31	145.2°	65.0°
H31	C29	N4	C7	38.5°	35.0°
H31	C29	C30	N6	161.6°	60.0°
C31	N5	H32	C37	180.0°	180.0°
N5	C31	C32	C36	128.1°	120.0°
N5	C31	C32	H33	114.6°	120.0°
N5	C31	C36	H33	117.5°	119.9°
N5	C31	C32	C33	165.8°	65.0°
N5	C31	C32	H34	74.0°	55.0°
N5	C31	C32	H35	45.7°	175.0°
N5	C31	C36	O6	148.3°	0.1°
N5	C31	C36	N7	31.6°	180.0°
C31	N5	C37	O7	179.4°	0.0°
C31	N5	C37	C38	1.0°	180.0°
H32	N5	C31	C32	149.0°	25.0°
H32	N5	C31	C36	82.3°	95.0°
H32	N5	C31	H33	34.8°	145.0°
H32	N5	C37	O7	0.6°	180.0°
H32	N5	C37	C38	179.0°	0.0°
C32	C31	C36	H33	117.4°	120.1°
C31	C32	C33	H34	120.2°	120.0°
C31	C32	C33	H35	120.2°	120.0°
C31	C32	H34	H35	119.5°	120.0°
C31	C32	C33	C34	82.0°	180.0°
C31	C32	C33	H36	37.7°	60.0°
C31	C32	C33	H37	158.2°	60.0°
C32	C31	C36	O6	86.5°	119.9°
C32	C31	C36	N7	93.6°	60.0°
C32	C31	N5	C37	31.1°	155.0°
C36	C31	C32	C33	37.7°	175.0°
C36	C31	C32	H34	157.9°	65.0°
C36	C31	C32	H35	82.4°	55.0°
C31	C36	O6	N7	179.9°	179.9°
C31	C36	N7	H44	179.9°	0.1°
C31	C36	N7	H45	0.1°	180.0°
C36	C31	N5	C37	97.7°	85.0°
H33	C31	C32	C33	79.6°	55.0°
H33	C31	C32	H34	40.6°	174.9°
H33	C31	C32	H35	160.2°	65.0°
H33	C31	C36	O6	30.8°	120.0°
H33	C31	C36	N7	149.1°	60.1°
H33	C31	N5	C37	145.2°	34.9°
C33	C32	H34	H35	119.5°	120.0°
C32	C33	C34	H36	119.8°	120.0°
C32	C33	C34	H37	119.8°	120.0°
C32	C33	H36	H37	120.8°	120.0°
C32	C33	C34	C35	25.1°	180.0°
C32	C33	C34	H38	95.6°	60.0°
C32	C33	C34	H39	145.8°	60.0°
H34	C32	C33	C34	157.8°	60.0°
H34	C32	C33	H36	82.4°	180.0°
H34	C32	C33	H37	38.1°	60.0°
H35	C32	C33	C34	38.1°	60.0°
H35	C32	C33	H36	157.9°	60.0°
H35	C32	C33	H37	81.6°	180.0°
C34	C33	H36	H37	120.7°	120.0°
C33	C34	C35	H38	120.7°	120.0°
C33	C34	C35	H39	120.7°	120.0°
C33	C34	H38	H39	117.8°	120.0°
C33	C34	C35	N6	118.6°	180.0°
C33	C34	C35	H40	0.1°	60.0°
C33	C34	C35	H41	122.8°	60.0°
H36	C33	C34	C35	144.9°	60.0°
H36	C33	C34	H38	24.1°	NaN°
H36	C33	C34	H39	94.4°	60.0°
H37	C33	C34	C35	94.7°	60.0°
H37	C33	C34	H38	144.6°	60.0°
H37	C33	C34	H39	26.1°	180.0°
C35	C34	H38	H39	117.8°	120.0°
C34	C35	N6	H40	118.7°	120.0°
C34	C35	N6	H41	118.6°	120.0°
C34	C35	H40	H41	123.8°	120.0°
C34	C35	N6	H42	53.1°	60.0°
C34	C35	N6	H43	171.0°	60.0°
C34	C35	N6	C30	67.9°	179.9°
H38	C34	C35	N6	120.7°	60.0°
H38	C34	C35	H40	120.6°	180.0°
H38	C34	C35	H41	2.1°	60.0°
H39	C34	C35	N6	2.2°	60.0°
H39	C34	C35	H40	120.8°	60.0°
H39	C34	C35	H41	116.5°	180.0°
N6	C35	H40	H41	123.9°	120.0°
C35	N6	H42	H43	116.7°	120.0°
C35	N6	H42	C30	126.6°	120.0°
C35	N6	H43	C30	126.6°	120.0°
H40	C35	N6	H42	65.5°	60.0°
H40	C35	N6	H43	52.4°	180.0°
H40	C35	N6	C30	173.4°	60.0°
H41	C35	N6	H42	171.8°	180.0°
H41	C35	N6	H43	70.3°	60.0°
H41	C35	N6	C30	50.7°	60.0°
H42	N6	H43	C30	116.7°	120.0°
O6	C36	N7	H44	0.0°	180.0°
O6	C36	N7	H45	180.0°	0.0°
C36	N7	H44	H45	180.0°	180.0°
O7	C37	C38	N5	179.6°	179.9°
O7	C37	C38	C39	31.9°	0.1°
O7	C37	C38	H46	148.1°	180.0°
C37	C38	C39	H46	180.0°	180.0°
C37	C38	C39	C40	179.5°	180.0°
C37	C38	C39	H47	0.5°	0.0°
C38	C39	C40	H47	180.0°	180.0°
C38	C39	C40	O8	83.5°	0.0°
C38	C39	C40	O9	56.0°	180.0°
C39	C38	C37	N5	147.7°	180.0°
H46	C38	C39	C40	0.5°	0.0°
H46	C38	C39	H47	179.5°	180.0°
H46	C38	C37	N5	32.3°	0.0°
C39	C40	O8	O9	93.8°	180.0°
C39	C40	O9	H48	90.0°	180.0°
H47	C39	C40	O8	96.5°	180.0°
H47	C39	C40	O9	124.0°	0.0°
O8	C40	O9	H48	90.0°	0.1°

Release date:	2014-05-21
Last modified:	2023-11-03
Processing site:	PDBE