BVS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O09	C08	doub	1.22Å	1.38Å
C07	C06	doub	1.38Å	1.40Å	Aromatic
C07	C02	sing	1.38Å	1.41Å	Aromatic
C06	C05	sing	1.40Å	1.42Å	Aromatic
C01	C02	sing	1.51Å	1.49Å
C02	C03	doub	1.38Å	1.41Å	Aromatic
C05	C08	sing	1.48Å	1.49Å
C05	C04	doub	1.40Å	1.42Å	Aromatic
C08	C10	sing	1.47Å	1.34Å
O12	C11	sing	1.35Å	1.24Å
C03	C04	sing	1.38Å	1.40Å	Aromatic
C11	C10	doub	1.35Å	1.47Å
C11	C13	sing	1.48Å	1.52Å
O15	C13	doub	1.21Å	1.24Å
C13	O14	sing	1.35Å	1.37Å
C10	H1	sing	1.08Å	1.08Å
C01	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
C01	H4	sing	1.09Å	1.10Å
C03	H5	sing	1.08Å	1.08Å
C04	H6	sing	1.08Å	1.08Å
C06	H7	sing	1.08Å	1.08Å
C07	H8	sing	1.08Å	1.08Å
O14	H10	sing	0.97Å	0.95Å
O12	H9	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O09	C08	C05	117.0°	120.0°
O09	C08	C10	112.7°	120.0°
C06	C07	C02	120.4°	120.2°
C07	C06	C05	120.2°	119.8°
C07	C06	H7	119.9°	120.1°
C06	C07	H8	119.8°	119.9°
C07	C02	C01	120.5°	119.9°
C07	C02	C03	119.8°	120.3°
C02	C07	H8	119.8°	119.9°
C06	C05	C08	121.1°	120.1°
C06	C05	C04	118.9°	119.7°
C05	C06	H7	119.9°	120.1°
C01	C02	C03	119.7°	119.8°
C02	C01	H2	109.5°	109.5°
C02	C01	H3	109.5°	109.5°
C02	C01	H4	109.5°	109.5°
C02	C03	C04	119.7°	120.1°
C02	C03	H5	120.2°	120.0°
C08	C05	C04	120.0°	120.2°
C05	C08	C10	126.4°	120.0°
C05	C04	C03	121.1°	119.9°
C05	C04	H6	119.5°	120.0°
C08	C10	C11	121.9°	120.0°
C08	C10	H1	119.1°	120.0°
O12	C11	C10	123.1°	120.0°
O12	C11	C13	116.4°	120.0°
C11	O12	H9	109.5°	114.0°
C04	C03	H5	120.2°	119.9°
C03	C04	H6	119.5°	120.1°
C10	C11	C13	115.8°	120.0°
C11	C10	H1	119.1°	120.0°
C11	C13	O15	122.1°	120.0°
C11	C13	O14	114.8°	120.0°
O15	C13	O14	115.4°	120.0°
C13	O14	H10	109.5°	117.0°
H2	C01	H3	109.5°	109.4°
H2	C01	H4	109.4°	109.5°
H3	C01	H4	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O09	C08	C05	C06	21.3°	180.0°
O09	C08	C05	C10	155.8°	179.9°
O09	C08	C05	C04	156.8°	0.1°
O09	C08	C10	C11	12.7°	0.2°
O09	C08	C10	H1	167.3°	180.0°
C06	C07	C02	H8	180.0°	179.4°
C07	C06	C05	H7	180.0°	179.6°
C06	C07	C02	C01	178.9°	179.7°
C06	C07	C02	C03	0.7°	0.6°
C07	C06	C05	C08	178.2°	179.8°
C07	C06	C05	C04	0.2°	0.3°
C02	C07	C06	C05	0.3°	0.6°
C07	C02	C01	C03	179.6°	179.7°
C07	C02	C03	C04	0.6°	0.3°
C07	C02	C01	H2	90.2°	90.3°
C07	C02	C01	H3	149.7°	29.7°
C07	C02	C01	H4	29.8°	149.7°
C07	C02	C03	H5	179.4°	179.7°
C02	C07	C06	H7	179.7°	179.7°
C06	C05	C08	C04	178.0°	179.9°
C06	C05	C08	C10	134.5°	0.1°
C06	C05	C04	C03	0.3°	0.0°
C06	C05	C04	H6	179.7°	179.9°
C05	C06	C07	H8	179.7°	180.0°
C01	C02	C03	C04	179.0°	180.0°
C02	C01	H2	H3	120.0°	120.0°
C02	C01	H2	H4	120.0°	120.1°
C02	C01	H3	H4	120.0°	120.0°
C01	C02	C03	H5	1.0°	0.1°
C01	C02	C07	H8	1.1°	0.3°
C02	C03	C04	C05	0.1°	0.0°
C02	C03	C04	H5	180.0°	179.9°
C03	C02	C01	H2	90.2°	90.1°
C03	C02	C01	H3	29.8°	150.0°
C03	C02	C01	H4	149.8°	30.0°
C02	C03	C04	H6	179.9°	179.9°
C03	C02	C07	H8	179.3°	180.0°
C08	C05	C04	C03	178.4°	180.0°
C05	C08	C10	C11	169.3°	179.7°
C05	C08	C10	H1	10.6°	0.1°
C08	C05	C04	H6	1.6°	0.0°
C08	C05	C06	H7	1.8°	0.1°
C04	C05	C08	C10	47.4°	180.0°
C05	C04	C03	H6	180.0°	180.0°
C05	C04	C03	H5	179.9°	180.0°
C04	C05	C06	H7	179.8°	180.0°
C08	C10	C11	O12	16.5°	0.2°
C08	C10	C11	H1	180.0°	179.8°
C08	C10	C11	C13	138.4°	179.7°
O12	C11	C10	C13	154.9°	180.0°
O12	C11	C13	O15	56.0°	180.0°
O12	C11	C13	O14	156.0°	0.0°
O12	C11	C10	H1	163.5°	180.0°
C10	C11	C13	O15	100.7°	0.0°
C10	C11	C13	O14	47.3°	180.0°
C10	C11	O12	H9	8.8°	180.0°
C11	C13	O15	O14	147.9°	180.0°
C13	C11	C10	H1	41.6°	0.1°
C11	C13	O14	H10	150.3°	180.0°
C13	C11	O12	H9	146.1°	0.0°
O15	C13	O14	H10	0.0°	0.1°
H2	C01	H3	H4	119.9°	120.0°
H5	C03	C04	H6	0.1°	0.0°
H7	C06	C07	H8	0.3°	0.3°

Release date:	2018-08-29
Definition date:	2017-08-28
Last modified:	2018-08-24
Release status:	REL
Processing site:	RCSB
Derived from:	6ASU