9C1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C11	doub	1.33Å	1.37Å
C10	C09	sing	1.47Å	1.51Å
C11	C12	sing	1.51Å	1.48Å
C3	C4	sing	1.53Å	1.51Å
C3	C2	sing	1.53Å	1.54Å
C3	O3	sing	1.43Å	1.41Å
C4	C5	sing	1.53Å	1.57Å
C4	O4	sing	1.43Å	1.40Å
O14	C09	doub	1.22Å	1.27Å
O6	C6	sing	1.43Å	1.40Å
C6	C5	sing	1.53Å	1.55Å
C5	O5	sing	1.43Å	1.47Å
O5	C1	sing	1.43Å	1.45Å
C1	C2	sing	1.53Å	1.58Å
C2	N2	sing	1.47Å	1.44Å
N2	C09	sing	1.35Å	1.40Å
C12	CL13	sing	1.80Å	1.94Å
C10	H1A	sing	1.08Å	1.08Å
C11	H2A	sing	1.08Å	1.08Å
C12	H3A	sing	1.09Å	1.10Å
C12	H4A	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
O6	HO6	sing	0.97Å	0.95Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
N2	HN21	sing	0.97Å	1.00Å
O3	HO3	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å
C1	O1	sing	1.43Å	1.34Å
O1	HO1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	C10	C09	118.1°	120.0°
C10	C11	C12	128.1°	120.0°
C11	C10	H1A	120.9°	120.0°
C10	C11	H2A	115.9°	120.0°
C10	C09	O14	117.5°	120.0°
C10	C09	N2	125.9°	120.0°
C09	C10	H1A	120.9°	120.0°
C11	C12	CL13	107.6°	109.5°
C12	C11	H2A	115.9°	120.0°
C11	C12	H3A	109.9°	109.5°
C11	C12	H4A	109.9°	109.5°
C4	C3	C2	108.8°	109.0°
C4	C3	O3	103.6°	109.5°
C3	C4	C5	105.6°	109.1°
C3	C4	O4	105.6°	109.5°
C4	C3	H3	113.5°	109.6°
C3	C4	H4	112.6°	109.6°
C2	C3	O3	101.4°	109.5°
C3	C2	C1	106.5°	109.2°
C3	C2	N2	113.5°	109.5°
C2	C3	H3	113.1°	109.5°
C3	C2	H2	108.9°	109.6°
O3	C3	H3	115.4°	109.6°
C3	O3	HO3	109.5°	114.0°
C5	C4	O4	106.0°	109.5°
C4	C5	C6	108.2°	109.5°
C4	C5	O5	107.4°	109.4°
C5	C4	H4	111.8°	109.5°
C4	C5	H5	111.2°	109.4°
O4	C4	H4	114.6°	109.6°
C4	O4	HO4	109.5°	113.9°
O14	C09	N2	116.6°	120.0°
O6	C6	C5	106.5°	109.5°
C6	O6	HO6	109.5°	114.0°
O6	C6	H61	110.2°	109.5°
O6	C6	H62	110.2°	109.5°
C6	C5	O5	105.6°	109.5°
C5	C6	H61	110.2°	109.4°
C5	C6	H62	110.2°	109.5°
C6	C5	H5	111.4°	109.4°
C5	O5	C1	117.6°	114.1°
O5	C5	H5	112.8°	109.5°
O5	C1	C2	111.4°	109.4°
O5	C1	H1	111.4°	109.4°
O5	C1	O1	90.5°	109.5°
C1	C2	N2	109.2°	109.5°
C2	C1	H1	109.7°	109.5°
C1	C2	H2	108.4°	109.5°
C2	C1	O1	119.2°	109.5°
C2	N2	C09	119.6°	120.0°
N2	C2	H2	110.2°	109.5°
C2	N2	HN21	120.2°	120.0°
C09	N2	HN21	120.2°	120.0°
CL13	C12	H3A	109.9°	109.5°
CL13	C12	H4A	109.9°	109.5°
H3A	C12	H4A	109.5°	109.5°
H61	C6	H62	109.5°	109.4°
H1	C1	O1	113.3°	109.5°
C1	O1	HO1	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C11	C10	C09	H1A	180.0°	179.7°
C10	C11	C12	H2A	180.0°	179.9°
C11	C10	C09	O14	19.7°	0.0°
C11	C10	C09	N2	160.2°	180.0°
C10	C11	C12	CL13	147.7°	125.1°
C10	C11	C12	H3A	92.6°	115.0°
C10	C11	C12	H4A	28.0°	5.0°
C09	C10	C11	C12	178.7°	180.0°
C10	C09	O14	N2	179.9°	180.0°
C10	C09	N2	C2	179.9°	180.0°
C09	C10	C11	H2A	1.3°	0.1°
C10	C09	N2	HN21	0.1°	0.0°
C11	C12	CL13	H3A	119.7°	120.0°
C11	C12	CL13	H4A	119.7°	120.1°
C12	C11	C10	H1A	1.3°	0.3°
C11	C12	H3A	H4A	120.9°	120.0°
C4	C3	C2	O3	108.7°	119.8°
C4	C3	C2	H3	127.1°	119.9°
C4	C3	O3	H3	124.7°	120.3°
C3	C4	C5	O4	111.7°	119.9°
C3	C4	C5	H4	122.8°	119.9°
C3	C4	O4	H4	124.5°	120.2°
C3	C4	C5	C6	175.5°	177.6°
C3	C4	C5	O5	62.0°	57.6°
C4	C3	C2	C1	63.6°	57.0°
C4	C3	C2	N2	176.2°	176.9°
C3	C4	C5	H5	61.8°	62.4°
C4	C3	C2	H2	53.1°	62.9°
C4	C3	O3	HO3	180.0°	60.0°
C3	C4	O4	HO4	180.0°	179.9°
C2	C3	O3	H3	122.6°	120.2°
C2	C3	C4	C5	69.8°	57.0°
C2	C3	C4	O4	178.2°	176.9°
C3	C2	C1	O5	51.6°	57.6°
C3	C2	C1	N2	122.9°	119.9°
C3	C2	C1	H2	117.0°	119.9°
C3	C2	N2	H2	122.4°	120.2°
C3	C2	N2	C09	127.4°	155.0°
C2	C3	C4	H4	52.5°	62.9°
C3	C2	C1	H1	72.2°	62.4°
C3	C2	N2	HN21	52.6°	25.0°
C2	C3	O3	HO3	67.2°	179.5°
C3	C2	C1	O1	154.8°	177.6°
O3	C3	C4	C5	177.0°	176.9°
O3	C3	C4	O4	70.9°	63.3°
O3	C3	C2	C1	172.4°	176.8°
O3	C3	C2	N2	67.5°	63.2°
O3	C3	C4	H4	54.7°	56.9°
O3	C3	C2	H2	55.6°	56.9°
C5	C4	O4	H4	123.8°	120.2°
C4	C5	C6	O6	42.5°	175.0°
C4	C5	C6	O5	114.7°	120.0°
C4	C5	C6	H5	122.5°	119.9°
C4	C5	O5	H5	122.9°	120.0°
C4	C5	O5	C1	55.5°	61.1°
C5	C4	C3	H3	57.1°	62.9°
C4	C5	C6	H61	162.0°	65.0°
C4	C5	C6	H62	77.1°	54.9°
C5	C4	O4	HO4	68.3°	60.3°
O4	C4	C5	C6	72.7°	62.5°
O4	C4	C5	O5	173.7°	177.5°
O4	C4	C3	H3	54.9°	57.0°
O4	C4	C5	H5	49.9°	57.5°
O14	C09	N2	C2	0.1°	0.0°
O14	C09	C10	H1A	160.4°	179.7°
O14	C09	N2	HN21	179.9°	180.0°
O6	C6	C5	H61	119.6°	120.0°
O6	C6	C5	H62	119.5°	120.1°
O6	C6	C5	O5	157.1°	65.0°
O6	C6	H61	H62	121.3°	120.0°
O6	C6	C5	H5	80.1°	55.1°
C6	C5	O5	H5	121.9°	120.0°
C6	C5	O5	C1	170.8°	178.9°
C6	C5	C4	H4	52.7°	57.7°
C5	C6	O6	HO6	180.0°	180.0°
C5	C6	H61	H62	121.3°	120.0°
C5	O5	C1	C2	51.1°	61.1°
O5	C5	C4	H4	60.8°	62.3°
O5	C5	C6	H61	83.3°	55.0°
O5	C5	C6	H62	37.6°	174.9°
C5	O5	C1	H1	71.7°	58.9°
C5	O5	C1	O1	172.9°	178.9°
O5	C1	C2	H1	123.8°	119.9°
O5	C1	C2	O1	103.3°	120.0°
O5	C1	C2	N2	174.5°	177.5°
C1	O5	C5	H5	67.3°	58.9°
O5	C1	H1	O1	100.3°	120.0°
O5	C1	C2	H2	65.5°	62.4°
O5	C1	O1	HO1	180.0°	59.9°
C1	C2	N2	H2	118.9°	120.1°
C1	C2	N2	C09	114.0°	85.3°
C1	C2	C3	H3	63.5°	62.9°
C2	C1	H1	O1	135.9°	120.1°
C1	C2	N2	HN21	66.0°	94.7°
C2	C1	O1	HO1	65.0°	179.9°
C2	N2	C09	HN21	180.0°	179.9°
N2	C2	C3	H3	56.7°	57.0°
N2	C2	C1	H1	50.7°	57.6°
N2	C2	C1	O1	82.3°	62.5°
N2	C09	C10	H1A	19.8°	0.3°
C09	N2	C2	H2	5.0°	34.8°
CL13	C12	C11	H2A	32.3°	55.0°
CL13	C12	H3A	H4A	120.8°	120.0°
H1A	C10	C11	H2A	178.8°	179.8°
H2A	C11	C12	H3A	87.4°	65.0°
H2A	C11	C12	H4A	152.0°	175.0°
H3	C3	C4	H4	179.4°	177.2°
H3	C3	C2	H2	179.8°	177.2°
H3	C3	O3	HO3	55.4°	60.3°
H4	C4	C5	H5	175.4°	177.6°
H4	C4	O4	HO4	55.5°	59.9°
HO6	O6	C6	H61	60.4°	60.0°
HO6	O6	C6	H62	60.5°	60.0°
H61	C6	C5	H5	39.5°	175.1°
H62	C6	C5	H5	160.4°	65.0°
H1	C1	C2	H2	170.7°	177.7°
H1	C1	O1	HO1	66.4°	60.0°
H2	C2	N2	HN21	175.0°	145.2°
H2	C2	C1	O1	37.8°	57.7°

Release date:	2017-10-18
Definition date:	2017-04-18
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	5VIE