9ZB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C11	doub	1.38Å	1.43Å	Aromatic
C10	C9	sing	1.38Å	1.40Å	Aromatic
C11	C12	sing	1.38Å	1.41Å	Aromatic
C2	C1	sing	1.53Å	1.54Å
C1	C	sing	1.51Å	1.51Å
C9	C8	doub	1.39Å	1.40Å	Aromatic
C12	C7	doub	1.39Å	1.40Å	Aromatic
C8	C7	sing	1.39Å	1.48Å	Aromatic
C8	N1	sing	1.40Å	1.42Å
C7	N	sing	1.41Å	1.40Å
C5	N1	sing	1.47Å	1.46Å
C5	C6	sing	1.53Å	1.51Å
C	N	sing	1.35Å	1.34Å
C	O	doub	1.21Å	1.22Å
N1	C4	sing	1.47Å	1.51Å
N	C3	sing	1.47Å	1.47Å
C4	C3	sing	1.53Å	1.52Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
C4	H9	sing	1.09Å	1.10Å
C12	H10	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
C10	H12	sing	1.08Å	1.08Å
C9	H13	sing	1.08Å	1.08Å
C5	H14	sing	1.09Å	1.10Å
C5	H15	sing	1.09Å	1.10Å
C6	H16	sing	1.09Å	1.10Å
C6	H17	sing	1.09Å	1.10Å
C6	H18	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	C10	C9	116.7°	120.3°
C10	C11	C12	125.1°	120.0°
C10	C11	H11	117.4°	120.0°
C11	C10	H12	121.7°	119.8°
C10	C9	C8	120.6°	120.2°
C9	C10	H12	121.7°	119.9°
C10	C9	H13	119.7°	119.9°
C11	C12	C7	117.8°	120.0°
C11	C12	H10	121.1°	120.0°
C12	C11	H11	117.5°	120.0°
C2	C1	C	111.9°	109.5°
C2	C1	H1	108.9°	109.5°
C2	C1	H2	108.9°	109.5°
C1	C2	H3	109.5°	109.5°
C1	C2	H4	109.4°	109.5°
C1	C2	H5	109.5°	109.5°
C1	C	N	124.6°	120.0°
C1	C	O	116.4°	120.0°
C	C1	H1	108.8°	109.5°
C	C1	H2	108.9°	109.5°
C9	C8	C7	121.4°	119.3°
C9	C8	N1	121.8°	118.8°
C8	C9	H13	119.7°	119.9°
C12	C7	C8	118.3°	120.2°
C12	C7	N	129.1°	119.5°
C7	C12	H10	121.1°	119.9°
C7	C8	N1	116.8°	121.9°
C8	C7	N	112.5°	120.2°
C8	N1	C5	116.5°	111.0°
C8	N1	C4	123.6°	113.0°
C7	N	C	122.9°	121.1°
C7	N	C3	116.2°	117.7°
N1	C5	C6	108.5°	109.5°
C5	N1	C4	119.7°	111.0°
N1	C5	H14	109.7°	109.5°
N1	C5	H15	109.7°	109.5°
C6	C5	H14	109.7°	109.4°
C6	C5	H15	109.7°	109.4°
C5	C6	H16	109.5°	109.5°
C5	C6	H17	109.5°	109.5°
C5	C6	H18	109.5°	109.5°
N	C	O	119.0°	120.0°
C	N	C3	119.8°	121.2°
N1	C4	C3	107.9°	109.1°
N1	C4	H8	109.9°	109.5°
N1	C4	H9	109.9°	109.6°
N	C3	C4	102.5°	107.3°
N	C3	H6	111.2°	109.9°
N	C3	H7	111.2°	109.9°
C4	C3	H6	111.2°	109.9°
C4	C3	H7	111.1°	109.9°
C3	C4	H8	109.9°	109.6°
C3	C4	H9	109.8°	109.6°
H1	C1	H2	109.4°	109.5°
H3	C2	H4	109.5°	109.4°
H3	C2	H5	109.5°	109.5°
H4	C2	H5	109.5°	109.5°
H6	C3	H7	109.5°	109.9°
H8	C4	H9	109.5°	109.5°
H14	C5	H15	109.4°	109.5°
H16	C6	H17	109.4°	109.5°
H16	C6	H18	109.4°	109.4°
H17	C6	H18	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C11	C10	C9	H12	180.0°	180.0°
C10	C11	C12	H11	180.0°	180.0°
C11	C10	C9	C8	0.8°	0.1°
C10	C11	C12	C7	0.4°	0.0°
C10	C11	C12	H10	179.6°	180.0°
C11	C10	C9	H13	179.2°	180.0°
C9	C10	C11	C12	2.3°	0.2°
C10	C9	C8	H13	180.0°	179.9°
C10	C9	C8	C7	2.4°	0.2°
C10	C9	C8	N1	179.8°	179.3°
C9	C10	C11	H11	177.7°	179.9°
C11	C12	C7	H10	180.0°	180.0°
C11	C12	C7	C8	2.7°	0.3°
C11	C12	C7	N	179.2°	179.7°
C12	C11	C10	H12	177.7°	179.9°
C2	C1	C	H1	120.4°	120.0°
C2	C1	C	H2	120.4°	120.0°
C2	C1	C	N	140.0°	173.8°
C2	C1	C	O	39.8°	6.2°
C2	C1	H1	H2	118.9°	120.0°
C1	C2	H3	H4	120.0°	120.0°
C1	C2	H3	H5	120.0°	120.0°
C1	C2	H4	H5	120.0°	120.0°
C1	C	N	C7	0.9°	174.0°
C1	C	N	O	179.8°	180.0°
C1	C	N	C3	167.0°	5.9°
C	C1	H1	H2	118.9°	120.0°
C	C1	C2	H3	180.0°	180.0°
C	C1	C2	H4	60.0°	60.0°
C	C1	C2	H5	60.0°	60.0°
C9	C8	C7	C12	4.2°	0.4°
C9	C8	C7	N1	177.6°	179.5°
C9	C8	C7	N	178.8°	179.6°
C9	C8	N1	C5	14.5°	31.8°
C9	C8	N1	C4	169.8°	157.2°
C8	C9	C10	H12	179.2°	180.0°
C12	C7	C8	N	177.0°	180.0°
C12	C7	C8	N1	178.2°	179.2°
C12	C7	N	C	59.3°	11.5°
C12	C7	N	C3	132.4°	168.5°
C7	C12	C11	H11	179.6°	180.0°
C7	C8	N1	C5	163.1°	148.7°
C8	C7	N	C	124.1°	168.5°
C7	C8	N1	C4	12.7°	23.2°
C8	C7	N	C3	44.2°	11.6°
C8	C7	C12	H10	177.3°	179.8°
C7	C8	C9	H13	177.6°	179.7°
N1	C8	C7	N	1.2°	0.9°
C8	N1	C5	C4	176.0°	126.6°
C8	N1	C5	C6	90.7°	176.3°
C8	N1	C4	C3	18.0°	53.6°
C8	N1	C4	H8	101.7°	173.5°
C8	N1	C4	H9	137.8°	66.4°
N1	C8	C9	H13	0.2°	0.7°
C8	N1	C5	H14	149.4°	63.7°
C8	N1	C5	H15	29.1°	56.4°
C7	N	C	C3	167.9°	180.0°
C7	N	C	O	178.9°	6.0°
C7	N	C3	C4	74.4°	41.0°
C7	N	C3	H6	44.5°	160.5°
C7	N	C3	H7	166.8°	78.4°
N	C7	C12	H10	0.8°	0.3°
N1	C5	C6	H14	119.9°	120.1°
N1	C5	C6	H15	119.9°	120.0°
C5	N1	C4	C3	166.3°	179.0°
C5	N1	C4	H8	73.9°	61.1°
C5	N1	C4	H9	46.6°	59.0°
N1	C5	H14	H15	120.4°	120.1°
N1	C5	C6	H16	180.0°	178.6°
N1	C5	C6	H17	60.0°	58.6°
N1	C5	C6	H18	60.0°	61.4°
C6	C5	N1	C4	93.3°	57.1°
C6	C5	H14	H15	120.4°	119.9°
C5	C6	H16	H17	120.0°	120.0°
C5	C6	H16	H18	120.0°	120.0°
C5	C6	H17	H18	120.0°	120.0°
C	N	C3	C4	94.3°	139.0°
N	C	C1	H1	99.6°	53.8°
N	C	C1	H2	19.6°	66.3°
C	N	C3	H6	146.8°	19.5°
C	N	C3	H7	24.6°	101.5°
O	C	N	C3	13.2°	174.0°
O	C	C1	H1	80.6°	126.3°
O	C	C1	H2	160.2°	113.7°
N1	C4	C3	N	55.0°	61.7°
N1	C4	C3	H8	119.8°	119.8°
N1	C4	C3	H9	119.7°	120.0°
N1	C4	C3	H6	63.9°	178.8°
N1	C4	C3	H7	173.8°	57.8°
N1	C4	H8	H9	120.7°	120.2°
C4	N1	C5	H14	26.5°	62.9°
C4	N1	C5	H15	146.8°	177.1°
N	C3	C4	H6	118.9°	119.5°
N	C3	C4	H7	118.9°	119.5°
N	C3	H6	H7	123.2°	121.0°
N	C3	C4	H8	64.8°	178.5°
N	C3	C4	H9	174.7°	58.3°
C4	C3	H6	H7	123.2°	121.1°
C3	C4	H8	H9	120.7°	120.2°
H1	C1	C2	H3	59.7°	60.0°
H1	C1	C2	H4	60.4°	60.0°
H1	C1	C2	H5	179.7°	180.0°
H2	C1	C2	H3	59.6°	60.1°
H2	C1	C2	H4	179.6°	180.0°
H2	C1	C2	H5	60.4°	60.0°
H3	C2	H4	H5	120.0°	120.0°
H6	C3	C4	H8	176.3°	59.0°
H6	C3	C4	H9	55.8°	61.2°
H7	C3	C4	H8	54.0°	62.1°
H7	C3	C4	H9	66.4°	177.7°
H10	C12	C11	H11	0.4°	0.0°
H11	C11	C10	H12	2.3°	0.1°
H12	C10	C9	H13	0.8°	0.0°
H14	C5	C6	H16	60.1°	61.4°
H14	C5	C6	H17	179.9°	178.6°
H14	C5	C6	H18	59.9°	58.6°
H15	C5	C6	H16	60.1°	58.6°
H15	C5	C6	H17	59.8°	61.5°
H15	C5	C6	H18	179.9°	178.6°
H16	C6	H17	H18	120.0°	119.9°

Release date:	2018-08-29
Definition date:	2017-08-05
Last modified:	2018-08-24
Release status:	REL
Processing site:	RCSB
Derived from:	5OO3