4P7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9	C8	sing	1.53Å	1.50Å
C9	C10	sing	1.54Å	1.49Å
C8	N7	sing	1.46Å	1.47Å
C10	C11	sing	1.52Å	1.47Å
N7	C12	doub	1.30Å	1.30Å
C4	C3	doub	1.35Å	1.38Å	Aromatic
C4	C5	sing	1.47Å	1.42Å	Aromatic
C11	C12	sing	1.47Å	1.47Å
C11	C6	doub	1.35Å	1.34Å
C3	N2	sing	1.36Å	1.37Å	Aromatic
C12	C15	sing	1.48Å	1.46Å
C5	C6	sing	1.47Å	1.42Å
C5	C1	doub	1.38Å	1.38Å	Aromatic
C15	C14	doub	1.39Å	1.38Å	Aromatic
C15	C16	sing	1.40Å	1.37Å	Aromatic
N2	C1	sing	1.36Å	1.37Å	Aromatic
C14	N13	sing	1.32Å	1.33Å	Aromatic
C16	C17	doub	1.38Å	1.38Å	Aromatic
N13	C18	doub	1.32Å	1.34Å	Aromatic
C18	C17	sing	1.38Å	1.38Å	Aromatic
C17	H32	sing	1.08Å	1.08Å
C16	H31	sing	1.08Å	1.08Å
C4	H22	sing	1.08Å	1.08Å
C18	H33	sing	1.08Å	1.08Å
C14	H30	sing	1.08Å	1.08Å
C3	H21	sing	1.08Å	1.08Å
C1	H19	sing	1.08Å	1.08Å
C6	H23	sing	1.08Å	1.08Å
C10	H28	sing	1.09Å	1.10Å
C10	H29	sing	1.09Å	1.10Å
C9	H27	sing	1.09Å	1.10Å
C9	H26	sing	1.09Å	1.10Å
C8	H24	sing	1.09Å	1.10Å
C8	H25	sing	1.09Å	1.10Å
N2	H20	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C8	C9	C10	109.2°	108.9°
C9	C8	N7	114.6°	111.6°
C8	C9	H27	109.5°	109.6°
C8	C9	H26	109.5°	109.5°
C9	C8	H24	108.2°	109.0°
C9	C8	H25	108.2°	109.0°
C9	C10	C11	105.9°	106.9°
C9	C10	H28	110.4°	110.0°
C9	C10	H29	110.4°	110.1°
C10	C9	H27	109.5°	109.4°
C10	C9	H26	109.6°	109.7°
C8	N7	C12	118.4°	124.1°
N7	C8	H24	108.2°	109.2°
N7	C8	H25	108.2°	108.9°
C10	C11	C12	112.9°	117.4°
C10	C11	C6	130.5°	121.3°
C11	C10	H28	110.4°	110.0°
C11	C10	H29	110.4°	110.0°
N7	C12	C11	124.8°	120.8°
N7	C12	C15	115.7°	119.6°
C3	C4	C5	107.3°	106.5°
C4	C3	N2	108.1°	109.1°
C3	C4	H22	126.3°	126.7°
C4	C3	H21	125.9°	125.4°
C4	C5	C6	128.9°	127.0°
C4	C5	C1	107.1°	106.0°
C5	C4	H22	126.3°	126.8°
C12	C11	C6	116.5°	121.3°
C11	C12	C15	119.5°	119.6°
C11	C6	C5	126.2°	120.0°
C11	C6	H23	116.9°	120.0°
C3	N2	C1	109.3°	110.3°
N2	C3	H21	126.0°	125.5°
C3	N2	H20	125.4°	124.9°
C12	C15	C14	118.2°	120.5°
C12	C15	C16	121.9°	120.6°
C6	C5	C1	124.1°	127.0°
C5	C6	H23	116.9°	120.0°
C5	C1	N2	108.2°	108.0°
C5	C1	H19	125.9°	126.0°
C14	C15	C16	120.0°	118.9°
C15	C14	N13	123.9°	120.5°
C15	C14	H30	118.1°	119.7°
C15	C16	C17	117.2°	118.4°
C15	C16	H31	121.4°	120.8°
N2	C1	H19	125.9°	126.0°
C1	N2	H20	125.4°	124.9°
C14	N13	C18	115.1°	121.9°
N13	C14	H30	118.0°	119.7°
C16	C17	C18	118.9°	119.2°
C16	C17	H32	120.5°	120.4°
C17	C16	H31	121.4°	120.8°
N13	C18	C17	124.9°	121.1°
N13	C18	H33	117.5°	119.5°
C18	C17	H32	120.5°	120.4°
C17	C18	H33	117.6°	119.5°
H28	C10	H29	109.4°	109.9°
H27	C9	H26	109.5°	109.7°
H24	C8	H25	109.5°	109.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C8	C9	C10	H27	119.9°	119.8°
C8	C9	C10	H26	120.0°	119.9°
C9	C8	N7	H24	120.7°	120.6°
C9	C8	N7	H25	120.8°	120.4°
C8	C9	C10	C11	65.1°	60.5°
C9	C8	N7	C12	16.1°	22.6°
C8	C9	C10	H28	54.4°	179.9°
C8	C9	C10	H29	175.4°	58.9°
C8	C9	H27	H26	120.1°	120.3°
C9	C8	H24	H25	117.7°	119.0°
C10	C9	C8	N7	48.3°	52.9°
C9	C10	C11	H28	119.5°	119.4°
C9	C10	C11	H29	119.5°	119.5°
C9	C10	C11	C12	51.8°	40.3°
C9	C10	C11	C6	127.6°	139.7°
C9	C10	H28	H29	121.6°	121.3°
C10	C9	H27	H26	120.1°	120.3°
C10	C9	C8	H24	169.0°	173.6°
C10	C9	C8	H25	72.5°	67.4°
C8	N7	C12	C11	2.5°	0.5°
C8	N7	C12	C15	179.0°	179.1°
N7	C8	C9	H27	168.2°	66.8°
N7	C8	C9	H26	71.7°	172.9°
N7	C8	H24	H25	117.7°	118.8°
C10	C11	C12	N7	22.0°	10.5°
C10	C11	C12	C6	179.5°	180.0°
C10	C11	C12	C15	159.7°	169.2°
C10	C11	C6	C5	0.4°	8.2°
C10	C11	C6	H23	179.6°	171.8°
C11	C10	H28	H29	121.6°	121.2°
C11	C10	C9	H27	175.0°	59.3°
C11	C10	C9	H26	54.9°	179.6°
N7	C12	C11	C15	178.4°	179.7°
N7	C12	C11	C6	157.6°	169.5°
N7	C12	C15	C14	44.4°	34.6°
N7	C12	C15	C16	133.6°	145.7°
C12	N7	C8	H24	136.8°	143.2°
C12	N7	C8	H25	104.7°	97.8°
C3	C4	C5	H22	180.0°	179.7°
C4	C3	N2	H21	180.0°	179.9°
C3	C4	C5	C6	179.6°	179.9°
C3	C4	C5	C1	0.2°	0.0°
C4	C3	N2	C1	0.2°	0.0°
C4	C3	N2	H20	179.8°	180.0°
C4	C5	C6	C11	29.3°	15.1°
C5	C4	C3	N2	0.0°	0.0°
C4	C5	C6	C1	179.3°	180.0°
C4	C5	C1	N2	0.3°	0.0°
C5	C4	C3	H21	180.0°	179.9°
C4	C5	C1	H19	179.7°	180.0°
C4	C5	C6	H23	150.7°	164.9°
C12	C11	C6	C5	179.0°	171.8°
C11	C12	C15	C14	134.1°	145.7°
C11	C12	C15	C16	47.8°	34.0°
C12	C11	C6	H23	1.0°	8.2°
C12	C11	C10	H28	67.6°	159.7°
C12	C11	C10	H29	171.3°	79.1°
C6	C11	C12	C15	20.8°	10.8°
C11	C6	C5	H23	180.0°	180.0°
C11	C6	C5	C1	151.4°	164.8°
C6	C11	C10	H28	112.9°	20.3°
C6	C11	C10	H29	8.1°	100.9°
C3	N2	C1	C5	0.3°	0.0°
C3	N2	C1	H20	180.0°	179.9°
N2	C3	C4	H22	180.0°	179.8°
C3	N2	C1	H19	179.7°	180.0°
C12	C15	C14	C16	178.1°	179.7°
C12	C15	C14	N13	179.1°	180.0°
C12	C15	C16	C17	178.7°	179.7°
C12	C15	C16	H31	1.3°	0.3°
C12	C15	C14	H30	0.9°	0.3°
C6	C5	C1	N2	179.8°	180.0°
C6	C5	C4	H22	0.4°	0.2°
C6	C5	C1	H19	0.2°	0.1°
C5	C1	N2	H19	180.0°	180.0°
C1	C5	C4	H22	179.8°	179.7°
C1	C5	C6	H23	28.6°	15.2°
C5	C1	N2	H20	179.7°	180.0°
C15	C14	N13	H30	180.0°	179.7°
C14	C15	C16	C17	0.7°	0.0°
C15	C14	N13	C18	0.6°	0.4°
C14	C15	C16	H31	179.3°	180.0°
C16	C15	C14	N13	1.0°	0.3°
C15	C16	C17	H31	180.0°	180.0°
C15	C16	C17	C18	0.1°	0.3°
C15	C16	C17	H32	179.9°	180.0°
C16	C15	C14	H30	179.0°	180.0°
C1	N2	C3	H21	179.8°	179.9°
C14	N13	C18	C17	0.0°	0.1°
C14	N13	C18	H33	180.0°	180.0°
C16	C17	C18	N13	0.2°	0.3°
C16	C17	C18	H32	180.0°	179.7°
C16	C17	C18	H33	179.8°	179.7°
N13	C18	C17	H33	180.0°	180.0°
N13	C18	C17	H32	179.8°	180.0°
C18	N13	C14	H30	179.4°	180.0°
C18	C17	C16	H31	179.9°	179.7°
H32	C17	C16	H31	0.2°	0.0°
H32	C17	C18	H33	0.2°	0.0°
H22	C4	C3	H21	0.0°	0.4°
H21	C3	N2	H20	0.2°	0.1°
H19	C1	N2	H20	0.3°	0.1°
H28	C10	C9	H27	65.6°	60.1°
H28	C10	C9	H26	174.3°	60.2°
H29	C10	C9	H27	55.5°	178.7°
H29	C10	C9	H26	64.6°	61.0°
H27	C9	C8	H24	71.0°	53.9°
H27	C9	C8	H25	47.4°	172.9°
H26	C9	C8	H24	49.0°	66.5°
H26	C9	C8	H25	167.5°	52.5°

Release date:	2015-05-13
Definition date:	2015-04-30
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	4ZK1