V2E

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	C12	sing	1.47Å	1.54Å
C14	C12	doub	1.40Å	1.40Å	Aromatic
C14	C15	sing	1.38Å	1.38Å	Aromatic
C12	C11	sing	1.40Å	1.40Å	Aromatic
C15	C03	doub	1.38Å	1.44Å	Aromatic
C11	C04	doub	1.39Å	1.41Å	Aromatic
C03	C04	sing	1.39Å	1.37Å	Aromatic
C03	N02	sing	1.48Å	1.44Å
C04	N05	sing	1.40Å	1.49Å
C06	N05	sing	1.47Å	1.49Å
C06	C07	sing	1.53Å	1.51Å
N02	O01	sing	1.22Å	1.39Å
N02	O16	doub	1.22Å	1.19Å
N05	C10	sing	1.47Å	1.46Å
C07	O08	sing	1.43Å	1.39Å
C10	C09	sing	1.53Å	1.53Å
O08	C09	sing	1.43Å	1.39Å
C06	H1	sing	1.09Å	1.10Å
C06	H2	sing	1.09Å	1.10Å
C07	H3	sing	1.09Å	1.10Å
C07	H4	sing	1.09Å	1.10Å
C09	H5	sing	1.09Å	1.10Å
C09	H6	sing	1.09Å	1.10Å
C10	H7	sing	1.09Å	1.10Å
C10	H8	sing	1.09Å	1.10Å
C11	H9	sing	1.08Å	1.08Å
C13	H10	sing	1.08Å	1.08Å
C14	H13	sing	1.08Å	1.08Å
C15	H14	sing	1.08Å	1.08Å
C13	O1	doub	1.21Å	1.43Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C13	C12	C14	121.6°	120.1°
C13	C12	C11	117.7°	120.1°
C12	C13	H10	121.7°	120.0°
C12	C13	O1	116.5°	120.0°
C12	C14	C15	119.5°	120.0°
C14	C12	C11	120.7°	119.7°
C12	C14	H13	120.3°	120.0°
C14	C15	C03	119.9°	120.3°
C15	C14	H13	120.2°	120.0°
C14	C15	H14	120.1°	119.9°
C12	C11	C04	119.8°	119.7°
C12	C11	H9	120.1°	120.2°
C15	C03	C04	120.0°	120.3°
C15	C03	N02	118.6°	119.9°
C03	C15	H14	120.0°	119.9°
C11	C04	C03	120.1°	120.0°
C11	C04	N05	117.5°	120.0°
C04	C11	H9	120.1°	120.1°
C04	C03	N02	121.4°	119.8°
C03	C04	N05	122.5°	120.0°
C03	N02	O01	119.4°	120.0°
C03	N02	O16	120.2°	120.0°
C04	N05	C06	116.3°	111.0°
C04	N05	C10	118.1°	111.0°
N05	C06	C07	114.9°	109.3°
C06	N05	C10	110.1°	110.7°
N05	C06	H1	108.1°	109.5°
N05	C06	H2	108.1°	109.5°
C06	C07	O08	110.5°	109.3°
C07	C06	H1	108.1°	109.5°
C07	C06	H2	108.1°	109.5°
C06	C07	H3	109.2°	109.5°
C06	C07	H4	109.2°	109.5°
O01	N02	O16	120.4°	119.9°
N05	C10	C09	114.0°	109.3°
N05	C10	H7	108.3°	109.5°
N05	C10	H8	108.3°	109.5°
C07	O08	C09	111.3°	113.8°
O08	C07	H3	109.2°	109.5°
O08	C07	H4	109.2°	109.5°
C10	C09	O08	113.9°	109.2°
C10	C09	H5	108.3°	109.5°
C10	C09	H6	108.4°	109.5°
C09	C10	H7	108.3°	109.5°
C09	C10	H8	108.3°	109.5°
O08	C09	H5	108.3°	109.5°
O08	C09	H6	108.3°	109.6°
H1	C06	H2	109.5°	109.5°
H3	C07	H4	109.5°	109.5°
H5	C09	H6	109.5°	109.6°
H7	C10	H8	109.5°	109.5°
H10	C13	O1	121.7°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C13	C12	C14	C11	179.7°	180.0°
C13	C12	C14	C15	179.9°	179.7°
C13	C12	C11	C04	180.0°	179.9°
C13	C12	C11	H9	0.0°	0.0°
C12	C13	H10	O1	180.0°	179.9°
C13	C12	C14	H13	0.1°	0.1°
C12	C14	C15	H13	180.0°	179.8°
C12	C14	C15	C03	0.2°	0.6°
C14	C12	C11	C04	0.3°	0.0°
C14	C12	C11	H9	179.7°	180.0°
C14	C12	C13	H10	168.2°	0.1°
C12	C14	C15	H14	179.8°	180.0°
C14	C12	C13	O1	11.8°	180.0°
C15	C14	C12	C11	0.4°	0.3°
C14	C15	C03	H14	180.0°	179.4°
C14	C15	C03	C04	0.1°	0.6°
C14	C15	C03	N02	179.8°	179.7°
C12	C11	C04	H9	180.0°	180.0°
C12	C11	C04	C03	0.0°	0.1°
C12	C11	C04	N05	179.8°	180.0°
C11	C12	C13	H10	11.5°	180.0°
C11	C12	C14	H13	179.6°	180.0°
C11	C12	C13	O1	168.5°	0.0°
C15	C03	C04	C11	0.2°	0.4°
C15	C03	C04	N02	180.0°	179.6°
C15	C03	C04	N05	180.0°	179.7°
C15	C03	N02	O01	40.9°	0.4°
C15	C03	N02	O16	137.6°	179.7°
C03	C15	C14	H13	179.8°	179.7°
C11	C04	C03	N05	179.7°	179.9°
C11	C04	C03	N02	179.7°	180.0°
C11	C04	N05	C06	19.2°	59.9°
C11	C04	N05	C10	115.1°	63.7°
C03	C04	N05	C06	160.6°	120.0°
C04	C03	N02	O01	139.1°	180.0°
C04	C03	N02	O16	42.4°	0.0°
C03	C04	N05	C10	65.2°	116.4°
C03	C04	C11	H9	180.0°	179.9°
C04	C03	C15	H14	179.9°	179.9°
N02	C03	C04	N05	0.0°	0.1°
C03	N02	O01	O16	178.5°	180.0°
N02	C03	C15	H14	0.2°	0.3°
C04	N05	C06	C10	137.7°	123.8°
C04	N05	C06	C07	163.6°	177.6°
C04	N05	C10	C09	173.2°	177.6°
C04	N05	C06	H1	42.9°	57.7°
C04	N05	C06	H2	75.6°	62.4°
C04	N05	C10	H7	52.6°	62.5°
C04	N05	C10	H8	66.1°	57.6°
N05	C04	C11	H9	0.3°	0.0°
N05	C06	C07	H1	120.8°	119.9°
N05	C06	C07	H2	120.8°	119.9°
N05	C06	C07	O08	30.8°	56.8°
C06	N05	C10	C09	49.9°	58.6°
N05	C06	H1	H2	117.5°	120.1°
N05	C06	C07	H3	89.4°	176.8°
N05	C06	C07	H4	150.9°	63.2°
C06	N05	C10	H7	170.6°	61.3°
C06	N05	C10	H8	70.8°	178.6°
C07	C06	N05	C10	25.9°	58.6°
C06	C07	O08	H3	120.2°	120.0°
C06	C07	O08	H4	120.1°	120.0°
C06	C07	O08	C09	67.0°	58.7°
C07	C06	H1	H2	117.5°	120.1°
C06	C07	H3	H4	119.5°	120.1°
N05	C10	C09	H7	120.7°	119.9°
N05	C10	C09	H8	120.7°	120.0°
N05	C10	C09	O08	17.4°	56.8°
C10	N05	C06	H1	94.9°	178.5°
C10	N05	C06	H2	146.7°	61.4°
N05	C10	C09	H5	103.2°	63.1°
N05	C10	C09	H6	138.1°	176.8°
N05	C10	H7	H8	117.9°	120.1°
C07	O08	C09	C10	42.3°	58.6°
O08	C07	C06	H1	151.5°	176.8°
O08	C07	C06	H2	90.0°	63.1°
O08	C07	H3	H4	119.5°	120.1°
C07	O08	C09	H5	162.9°	61.2°
C07	O08	C09	H6	78.4°	178.6°
C10	C09	O08	H5	120.6°	119.9°
C10	C09	O08	H6	120.7°	119.9°
C10	C09	H5	H6	118.0°	120.1°
C09	C10	H7	H8	117.9°	120.1°
C09	O08	C07	H3	53.1°	178.6°
C09	O08	C07	H4	172.9°	61.3°
O08	C09	H5	H6	118.0°	120.2°
O08	C09	C10	H7	138.1°	63.1°
O08	C09	C10	H8	103.3°	176.8°
H1	C06	C07	H3	31.4°	63.3°
H1	C06	C07	H4	88.3°	56.8°
H2	C06	C07	H3	149.8°	56.9°
H2	C06	C07	H4	30.1°	176.9°
H5	C09	C10	H7	17.4°	177.0°
H5	C09	C10	H8	136.1°	56.9°
H6	C09	C10	H7	101.3°	56.9°
H6	C09	C10	H8	17.4°	63.2°
H13	C14	C15	H14	0.2°	0.2°

Release date:	2021-06-09
Definition date:	2021-04-08
Last modified:	2021-06-04
Release status:	REL
Processing site:	PDBE
Derived from:	7O57