4P6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C5	doub	1.38Å	1.38Å	Aromatic
C1	C3	sing	1.38Å	1.38Å	Aromatic
C5	N16	sing	1.32Å	1.33Å	Aromatic
C3	C8	doub	1.40Å	1.38Å	Aromatic
N16	C6	doub	1.32Å	1.34Å	Aromatic
C8	C6	sing	1.39Å	1.38Å	Aromatic
C8	C10	sing	1.48Å	1.48Å
N17	C10	doub	1.30Å	1.29Å
N17	C15	sing	1.46Å	1.47Å
C10	C11	sing	1.47Å	1.48Å
C15	C14	sing	1.53Å	1.50Å
C14	C13	sing	1.54Å	1.51Å
C11	C13	sing	1.52Å	1.47Å
C11	C12	doub	1.35Å	1.34Å
C12	C9	sing	1.42Å	1.42Å
C9	S18	sing	1.76Å	1.72Å	Aromatic
C9	C4	doub	1.37Å	1.38Å	Aromatic
S18	C7	sing	1.71Å	1.72Å	Aromatic
C4	C2	sing	1.38Å	1.42Å	Aromatic
C7	C2	doub	1.34Å	1.38Å	Aromatic
C1	H19	sing	1.08Å	1.08Å
C2	H20	sing	1.08Å	1.08Å
C3	H21	sing	1.08Å	1.08Å
C4	H22	sing	1.08Å	1.08Å
C5	H23	sing	1.08Å	1.08Å
C6	H24	sing	1.08Å	1.08Å
C7	H25	sing	1.08Å	1.08Å
C12	H26	sing	1.08Å	1.08Å
C13	H28	sing	1.09Å	1.10Å
C13	H27	sing	1.09Å	1.10Å
C14	H30	sing	1.09Å	1.10Å
C14	H29	sing	1.09Å	1.10Å
C15	H32	sing	1.09Å	1.10Å
C15	H31	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5	C1	C3	120.1°	119.3°
C1	C5	N16	123.5°	121.1°
C5	C1	H19	119.9°	120.3°
C1	C5	H23	118.3°	119.5°
C1	C3	C8	117.6°	118.3°
C3	C1	H19	120.0°	120.4°
C1	C3	H21	121.2°	120.9°
C5	N16	C6	115.0°	121.9°
N16	C5	H23	118.2°	119.5°
C3	C8	C6	117.8°	118.9°
C3	C8	C10	127.2°	120.5°
C8	C3	H21	121.2°	120.8°
N16	C6	C8	125.9°	120.6°
N16	C6	H24	117.0°	119.7°
C6	C8	C10	115.0°	120.6°
C8	C6	H24	117.0°	119.7°
C8	C10	N17	115.8°	119.6°
C8	C10	C11	122.4°	119.6°
C10	N17	C15	115.6°	124.1°
N17	C10	C11	121.5°	120.8°
N17	C15	C14	110.5°	111.6°
N17	C15	H32	109.2°	109.1°
N17	C15	H31	109.2°	108.8°
C10	C11	C13	119.9°	117.4°
C10	C11	C12	114.1°	121.3°
C15	C14	C13	109.6°	109.0°
C15	C14	H30	109.5°	109.6°
C15	C14	H29	109.4°	109.6°
C14	C15	H32	109.2°	109.1°
C14	C15	H31	109.2°	109.1°
C14	C13	C11	109.7°	106.9°
C14	C13	H28	109.4°	110.0°
C14	C13	H27	109.4°	110.0°
C13	C14	H30	109.4°	109.5°
C13	C14	H29	109.4°	109.6°
C13	C11	C12	125.9°	121.3°
C11	C13	H28	109.4°	110.0°
C11	C13	H27	109.4°	109.9°
C11	C12	C9	126.0°	120.0°
C11	C12	H26	117.0°	120.0°
C12	C9	S18	129.5°	125.5°
C12	C9	C4	121.0°	125.4°
C9	C12	H26	117.0°	120.0°
S18	C9	C4	109.5°	109.0°
C9	S18	C7	93.7°	91.6°
C9	C4	C2	113.5°	113.2°
C9	C4	H22	123.3°	123.4°
S18	C7	C2	110.2°	111.0°
S18	C7	H25	124.9°	124.5°
C4	C2	C7	113.1°	115.1°
C4	C2	H20	123.5°	122.5°
C2	C4	H22	123.2°	123.3°
C7	C2	H20	123.5°	122.4°
C2	C7	H25	124.9°	124.5°
H28	C13	H27	109.5°	110.0°
H30	C14	H29	109.5°	109.5°
H32	C15	H31	109.5°	109.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C5	C1	C3	H19	180.0°	179.7°
C1	C5	N16	H23	180.0°	179.9°
C5	C1	C3	C8	0.3°	0.0°
C1	C5	N16	C6	0.2°	0.1°
C5	C1	C3	H21	179.7°	180.0°
C3	C1	C5	N16	0.3°	0.0°
C1	C3	C8	H21	180.0°	179.9°
C1	C3	C8	C6	0.4°	0.0°
C1	C3	C8	C10	179.0°	180.0°
C3	C1	C5	H23	179.8°	179.9°
C5	N16	C6	C8	0.3°	0.1°
N16	C5	C1	H19	179.8°	179.8°
C5	N16	C6	H24	179.7°	180.0°
C3	C8	C6	N16	0.4°	0.0°
C3	C8	C6	C10	178.8°	180.0°
C3	C8	C10	N17	119.7°	146.2°
C3	C8	C10	C11	66.2°	33.5°
C8	C3	C1	H19	179.7°	179.7°
C3	C8	C6	H24	179.6°	179.9°
N16	C6	C8	H24	180.0°	179.9°
N16	C6	C8	C10	179.2°	179.9°
C6	N16	C5	H23	179.8°	180.0°
C6	C8	C10	N17	59.0°	33.8°
C6	C8	C10	C11	115.2°	146.5°
C6	C8	C3	H21	179.6°	179.9°
C8	C10	N17	C11	174.2°	179.7°
C8	C10	N17	C15	177.4°	179.2°
C8	C10	C11	C13	160.0°	169.2°
C8	C10	C11	C12	22.5°	10.8°
C10	C8	C3	H21	1.0°	0.1°
C10	C8	C6	H24	0.8°	0.1°
C10	N17	C15	C14	41.9°	22.5°
N17	C10	C11	C13	26.1°	10.5°
N17	C10	C11	C12	151.3°	169.5°
C10	N17	C15	H32	162.0°	143.2°
C10	N17	C15	H31	78.3°	97.9°
C15	N17	C10	C11	3.2°	0.5°
N17	C15	C14	H32	120.2°	120.7°
N17	C15	C14	H31	120.2°	120.3°
N17	C15	C14	C13	66.0°	52.8°
N17	C15	C14	H30	54.0°	67.1°
N17	C15	C14	H29	174.0°	172.7°
N17	C15	H32	H31	119.5°	118.7°
C10	C11	C13	C14	0.2°	40.3°
C10	C11	C13	C12	177.1°	180.0°
C10	C11	C12	C9	175.8°	171.5°
C10	C11	C12	H26	4.2°	8.6°
C10	C11	C13	H28	119.8°	159.7°
C10	C11	C13	H27	120.2°	79.1°
C15	C14	C13	H30	120.0°	119.9°
C15	C14	C13	H29	120.0°	119.9°
C15	C14	C13	C11	42.3°	60.5°
C15	C14	C13	H28	162.3°	179.9°
C15	C14	C13	H27	77.7°	58.8°
C15	C14	H30	H29	120.0°	120.3°
C14	C15	H32	H31	119.5°	119.0°
C14	C13	C11	H28	120.0°	119.4°
C14	C13	C11	H27	120.0°	119.4°
C14	C13	C11	C12	176.9°	139.7°
C14	C13	H28	H27	119.9°	121.3°
C13	C14	H30	H29	119.9°	120.2°
C13	C14	C15	H32	173.8°	173.5°
C13	C14	C15	H31	54.1°	67.5°
C13	C11	C12	C9	1.4°	8.5°
C13	C11	C12	H26	178.6°	171.4°
C11	C13	H28	H27	119.9°	121.2°
C11	C13	C14	H30	77.7°	59.4°
C11	C13	C14	H29	162.3°	179.6°
C11	C12	C9	H26	180.0°	179.9°
C11	C12	C9	S18	21.4°	29.3°
C11	C12	C9	C4	157.1°	150.7°
C12	C11	C13	H28	63.1°	20.3°
C12	C11	C13	H27	56.9°	100.9°
C12	C9	S18	C4	178.7°	180.0°
C12	C9	S18	C7	179.1°	180.0°
C12	C9	C4	C2	179.4°	179.8°
C12	C9	C4	H22	0.6°	0.1°
S18	C9	C4	C2	0.6°	0.2°
C9	S18	C7	C2	0.2°	0.1°
S18	C9	C4	H22	179.4°	179.9°
C9	S18	C7	H25	179.8°	179.9°
S18	C9	C12	H26	158.6°	150.7°
C4	C9	S18	C7	0.4°	0.0°
C9	C4	C2	H22	180.0°	179.9°
C9	C4	C2	C7	0.5°	0.3°
C9	C4	C2	H20	179.5°	180.0°
C4	C9	C12	H26	22.9°	29.3°
S18	C7	C2	C4	0.1°	0.3°
S18	C7	C2	H25	180.0°	180.0°
S18	C7	C2	H20	179.9°	180.0°
C4	C2	C7	H20	180.0°	179.7°
C4	C2	C7	H25	179.9°	179.7°
C7	C2	C4	H22	179.5°	179.8°
H19	C1	C3	H21	0.3°	0.2°
H19	C1	C5	H23	0.2°	0.3°
H20	C2	C4	H22	0.5°	0.1°
H20	C2	C7	H25	0.2°	0.0°
H28	C13	C14	H30	42.3°	60.0°
H28	C13	C14	H29	77.7°	60.2°
H27	C13	C14	H30	162.2°	178.8°
H27	C13	C14	H29	42.3°	61.1°
H30	C14	C15	H32	66.2°	53.7°
H30	C14	C15	H31	174.1°	172.7°
H29	C14	C15	H32	53.8°	66.6°
H29	C14	C15	H31	65.9°	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:	4ZJT