9VZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N10	C11	doub	1.29Å	1.31Å	Aromatic
N10	C09	sing	1.33Å	1.38Å	Aromatic
C12	C11	sing	1.51Å	1.49Å
C08	C09	sing	1.52Å	1.51Å
C08	C07	sing	1.53Å	1.54Å
C11	S13	sing	1.71Å	1.73Å	Aromatic
C09	C14	doub	1.35Å	1.36Å	Aromatic
O05	C04	doub	1.21Å	1.19Å
C07	C06	sing	1.53Å	1.54Å
C14	S13	sing	1.76Å	1.74Å	Aromatic
C14	C15	sing	1.51Å	1.50Å
C04	C06	sing	1.51Å	1.51Å
C04	O03	sing	1.34Å	1.33Å
C06	C15	sing	1.53Å	1.54Å
C02	O03	sing	1.45Å	1.47Å
C02	C01	sing	1.53Å	1.48Å
C15	H30	sing	1.09Å	1.10Å
C15	H29	sing	1.09Å	1.10Å
C01	H18	sing	1.09Å	1.10Å
C01	H17	sing	1.09Å	1.10Å
C01	H16	sing	1.09Å	1.10Å
C02	H20	sing	1.09Å	1.10Å
C02	H19	sing	1.09Å	1.10Å
C06	H21	sing	1.09Å	1.10Å
C07	H22	sing	1.09Å	1.10Å
C07	H23	sing	1.09Å	1.10Å
C08	H24	sing	1.09Å	1.10Å
C08	H25	sing	1.09Å	1.10Å
C12	H28	sing	1.09Å	1.10Å
C12	H27	sing	1.09Å	1.10Å
C12	H26	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	N10	C09	111.6°	117.9°
N10	C11	C12	123.6°	124.9°
N10	C11	S13	114.4°	110.1°
N10	C09	C08	121.8°	124.2°
N10	C09	C14	114.8°	113.1°
C12	C11	S13	122.0°	124.9°
C11	C12	H28	109.5°	109.5°
C11	C12	H27	109.4°	109.5°
C11	C12	H26	109.5°	109.4°
C09	C08	C07	109.8°	108.7°
C08	C09	C14	123.3°	122.7°
C09	C08	H24	109.4°	109.6°
C09	C08	H25	109.4°	109.6°
C08	C07	C06	114.4°	109.5°
C08	C07	H22	108.2°	109.5°
C08	C07	H23	108.2°	109.5°
C07	C08	H24	109.4°	109.8°
C07	C08	H25	109.4°	109.5°
C11	S13	C14	89.1°	90.3°
C09	C14	S13	110.0°	108.6°
C09	C14	C15	125.5°	125.1°
O05	C04	C06	125.2°	120.0°
O05	C04	O03	123.5°	120.0°
C07	C06	C04	111.8°	109.5°
C07	C06	C15	111.0°	109.0°
C07	C06	H21	107.4°	109.6°
C06	C07	H22	108.2°	109.5°
C06	C07	H23	108.2°	109.5°
S13	C14	C15	124.4°	126.4°
C14	C15	C06	111.0°	108.7°
C14	C15	H30	109.1°	109.6°
C14	C15	H29	109.1°	109.6°
C06	C04	O03	111.3°	120.0°
C04	C06	C15	111.2°	109.6°
C04	C06	H21	107.8°	109.6°
C04	O03	C02	116.9°	117.0°
C06	C15	H30	109.1°	109.6°
C06	C15	H29	109.1°	109.6°
C15	C06	H21	107.4°	109.6°
O03	C02	C01	109.2°	109.4°
O03	C02	H20	109.5°	109.5°
O03	C02	H19	109.5°	109.5°
C02	C01	H18	109.5°	109.5°
C02	C01	H17	109.5°	109.5°
C02	C01	H16	109.4°	109.4°
C01	C02	H20	109.5°	109.5°
C01	C02	H19	109.5°	109.5°
H30	C15	H29	109.5°	109.7°
H18	C01	H17	109.4°	109.5°
H18	C01	H16	109.5°	109.5°
H17	C01	H16	109.5°	109.5°
H20	C02	H19	109.5°	109.5°
H22	C07	H23	109.4°	109.4°
H24	C08	H25	109.5°	109.7°
H28	C12	H27	109.5°	109.4°
H28	C12	H26	109.4°	109.5°
H27	C12	H26	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N10	C11	C12	S13	177.7°	180.0°
C11	N10	C09	C08	179.3°	180.0°
C11	N10	C09	C14	4.4°	0.2°
N10	C11	S13	C14	1.5°	0.1°
N10	C11	C12	H28	0.0°	90.0°
N10	C11	C12	H27	120.0°	150.0°
N10	C11	C12	H26	120.0°	30.0°
C09	N10	C11	C12	178.5°	180.0°
N10	C09	C08	C14	176.0°	179.8°
N10	C09	C08	C07	167.5°	162.5°
C09	N10	C11	S13	3.6°	0.0°
N10	C09	C14	S13	3.2°	0.2°
N10	C09	C14	C15	179.6°	179.8°
N10	C09	C08	H24	47.5°	42.5°
N10	C09	C08	H25	72.4°	77.9°
C12	C11	S13	C14	179.5°	179.9°
C11	C12	H28	H27	120.0°	120.0°
C11	C12	H28	H26	120.0°	120.0°
C11	C12	H27	H26	120.0°	120.0°
C09	C08	C07	H24	120.1°	119.9°
C09	C08	C07	H25	120.1°	119.7°
C09	C08	C07	C06	43.6°	51.2°
C08	C09	C14	S13	179.4°	179.9°
C08	C09	C14	C15	4.1°	0.4°
C09	C08	C07	H22	77.1°	68.8°
C09	C08	C07	H23	164.4°	171.3°
C09	C08	H24	H25	119.9°	120.4°
C07	C08	C09	C14	16.5°	17.3°
C08	C07	C06	H22	120.7°	120.0°
C08	C07	C06	H23	120.8°	120.0°
C08	C07	C06	C04	65.9°	169.8°
C08	C07	C06	C15	58.8°	70.4°
C08	C07	C06	H21	176.0°	49.5°
C08	C07	H22	H23	117.7°	120.0°
C07	C08	H24	H25	119.8°	120.3°
C11	S13	C14	C09	0.9°	0.2°
C11	S13	C14	C15	177.4°	179.7°
S13	C11	C12	H28	177.8°	90.0°
S13	C11	C12	H27	62.3°	30.0°
S13	C11	C12	H26	57.8°	150.0°
C09	C14	S13	C15	176.5°	179.5°
C09	C14	C15	C06	17.3°	15.8°
C09	C14	C15	H30	137.5°	135.5°
C09	C14	C15	H29	103.0°	104.1°
C14	C09	C08	H24	136.5°	137.3°
C14	C09	C08	H25	103.6°	102.3°
O05	C04	C06	C07	3.0°	0.5°
O05	C04	C06	O03	178.7°	180.0°
O05	C04	C06	C15	127.7°	120.0°
O05	C04	O03	C02	13.6°	0.0°
O05	C04	C06	H21	114.8°	119.8°
C07	C06	C15	C14	42.4°	49.1°
C07	C06	C04	C15	124.7°	119.5°
C07	C06	C04	H21	117.8°	120.2°
C07	C06	C04	O03	178.3°	179.5°
C07	C06	C15	H21	117.2°	119.9°
C07	C06	C15	H30	162.7°	168.9°
C07	C06	C15	H29	77.8°	70.7°
C06	C07	H22	H23	117.7°	120.0°
C06	C07	C08	H24	163.7°	171.1°
C06	C07	C08	H25	76.4°	68.5°
S13	C14	C15	C06	166.8°	163.7°
S13	C14	C15	H30	46.6°	43.9°
S13	C14	C15	H29	73.0°	76.5°
C14	C15	C06	C04	82.7°	169.0°
C14	C15	C06	H30	120.2°	119.8°
C14	C15	C06	H29	120.2°	119.8°
C14	C15	H30	H29	119.3°	120.4°
C14	C15	C06	H21	159.6°	70.7°
C04	C06	C15	H21	117.7°	120.3°
C06	C04	O03	C02	165.2°	180.0°
C04	C06	C15	H30	37.5°	71.2°
C04	C06	C15	H29	157.1°	49.2°
C04	C06	C07	H22	173.3°	70.2°
C04	C06	C07	H23	54.8°	49.7°
O03	C04	C06	C15	53.6°	60.0°
C04	O03	C02	C01	175.2°	180.0°
C04	O03	C02	H20	55.3°	60.0°
C04	O03	C02	H19	64.8°	60.0°
O03	C04	C06	H21	63.9°	60.2°
C06	C15	H30	H29	119.3°	120.4°
C15	C06	C07	H22	61.9°	49.6°
C15	C06	C07	H23	179.6°	169.6°
O03	C02	C01	H20	120.0°	120.0°
O03	C02	C01	H19	119.9°	120.0°
O03	C02	C01	H18	180.0°	60.0°
O03	C02	C01	H17	60.0°	60.0°
O03	C02	C01	H16	60.0°	180.0°
O03	C02	H20	H19	120.1°	120.0°
C02	C01	H18	H17	120.0°	120.0°
C02	C01	H18	H16	120.0°	119.9°
C02	C01	H17	H16	120.0°	120.0°
C01	C02	H20	H19	120.1°	120.0°
H30	C15	C06	H21	80.2°	49.1°
H29	C15	C06	H21	39.4°	169.5°
H18	C01	H17	H16	120.0°	120.0°
H18	C01	C02	H20	60.0°	60.0°
H18	C01	C02	H19	60.1°	180.0°
H17	C01	C02	H20	180.0°	NaN°
H17	C01	C02	H19	59.9°	60.0°
H16	C01	C02	H20	60.0°	60.0°
H16	C01	C02	H19	179.9°	60.0°
H21	C06	C07	H22	55.3°	169.5°
H21	C06	C07	H23	63.2°	70.5°
H22	C07	C08	H24	43.0°	51.1°
H22	C07	C08	H25	162.8°	171.5°
H23	C07	C08	H24	75.5°	68.9°
H23	C07	C08	H25	44.3°	51.6°
H28	C12	H27	H26	120.0°	120.1°

Release date:	2018-02-14
Definition date:	2017-07-19
Last modified:	2018-02-09
Release status:	REL
Processing site:	EBI
Derived from:	5OIM