B0G

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C11	sing	1.43Å	1.41Å
C12	C11	sing	1.53Å	1.51Å
C12	C13	sing	1.53Å	1.51Å
C11	C10	sing	1.54Å	1.51Å
C13	N1	sing	1.47Å	1.46Å
C10	C9	sing	1.53Å	1.51Å
C9	N1	sing	1.47Å	1.46Å
N1	C8	sing	1.35Å	1.35Å
C2	C3	doub	1.38Å	1.39Å	Aromatic
C2	C1	sing	1.38Å	1.38Å	Aromatic
O1	C8	sing	1.35Å	1.36Å
O1	C7	sing	1.45Å	1.46Å
C8	O2	doub	1.22Å	1.21Å
C3	C4	sing	1.38Å	1.38Å	Aromatic
C1	C6	doub	1.38Å	1.38Å	Aromatic
C4	C7	sing	1.51Å	1.50Å
C4	C5	doub	1.38Å	1.39Å	Aromatic
C6	C5	sing	1.38Å	1.39Å	Aromatic
C5	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.09Å	1.10Å
C10	H5	sing	1.09Å	1.10Å
C10	H6	sing	1.09Å	1.10Å
C13	H7	sing	1.09Å	1.10Å
C13	H8	sing	1.09Å	1.10Å
C1	H9	sing	1.08Å	1.08Å
C2	H10	sing	1.08Å	1.08Å
C3	H11	sing	1.08Å	1.08Å
C9	H12	sing	1.09Å	1.10Å
C9	H13	sing	1.09Å	1.10Å
C11	H14	sing	1.09Å	1.10Å
C12	H15	sing	1.09Å	1.10Å
C12	H16	sing	1.09Å	1.10Å
O3	H17	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C11	C12	108.7°	109.6°
O3	C11	C10	110.2°	109.5°
O3	C11	H14	109.6°	109.5°
C11	O3	H17	109.5°	114.0°
C11	C12	C13	112.3°	109.3°
C12	C11	C10	111.5°	109.6°
C12	C11	H14	108.4°	109.2°
C11	C12	H15	108.8°	109.5°
C11	C12	H16	108.8°	109.5°
C12	C13	N1	112.3°	108.8°
C12	C13	H7	108.8°	109.6°
C12	C13	H8	108.8°	109.7°
C13	C12	H15	108.8°	109.4°
C13	C12	H16	108.8°	109.7°
C11	C10	C9	113.2°	109.3°
C11	C10	H5	108.5°	109.6°
C11	C10	H6	108.6°	109.4°
C10	C11	H14	108.3°	109.4°
C13	N1	C9	115.0°	118.8°
C13	N1	C8	121.8°	120.6°
N1	C13	H7	108.8°	109.6°
N1	C13	H8	108.8°	109.6°
C10	C9	N1	111.4°	108.8°
C9	C10	H5	108.6°	109.6°
C9	C10	H6	108.6°	109.5°
C10	C9	H12	109.0°	109.6°
C10	C9	H13	109.0°	109.6°
C9	N1	C8	123.2°	120.6°
N1	C9	H12	109.0°	109.6°
N1	C9	H13	109.0°	109.6°
N1	C8	O1	111.6°	120.0°
N1	C8	O2	124.0°	120.0°
C3	C2	C1	120.2°	120.0°
C2	C3	C4	120.6°	120.0°
C3	C2	H10	119.9°	120.0°
C2	C3	H11	119.7°	120.0°
C2	C1	C6	119.8°	120.0°
C2	C1	H9	120.1°	120.0°
C1	C2	H10	119.9°	120.0°
C8	O1	C7	118.2°	117.0°
O1	C8	O2	124.3°	120.0°
O1	C7	C4	110.8°	109.5°
O1	C7	H3	109.1°	109.5°
O1	C7	H4	109.1°	109.5°
C3	C4	C7	120.6°	119.9°
C3	C4	C5	118.6°	120.1°
C4	C3	H11	119.7°	120.1°
C1	C6	C5	120.1°	120.0°
C1	C6	H2	119.9°	120.0°
C6	C1	H9	120.1°	120.0°
C7	C4	C5	120.8°	120.0°
C4	C7	H3	109.1°	109.5°
C4	C7	H4	109.1°	109.4°
C4	C5	C6	120.7°	120.0°
C4	C5	H1	119.7°	120.1°
C6	C5	H1	119.7°	119.9°
C5	C6	H2	119.9°	120.0°
H3	C7	H4	109.5°	109.4°
H5	C10	H6	109.5°	109.5°
H7	C13	H8	109.4°	109.5°
H12	C9	H13	109.5°	109.7°
H15	C12	H16	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C11	C12	C10	121.7°	120.2°
O3	C11	C12	H14	119.1°	119.9°
O3	C11	C12	C13	176.0°	178.7°
O3	C11	C10	H14	120.0°	120.0°
O3	C11	C10	C9	128.0°	178.6°
O3	C11	C10	H5	7.4°	58.6°
O3	C11	C10	H6	111.5°	61.4°
O3	C11	C12	H15	63.6°	61.5°
O3	C11	C12	H16	55.6°	58.5°
C11	C12	C13	H15	120.4°	119.8°
C11	C12	C13	H16	120.4°	120.0°
C12	C11	C10	H14	119.2°	119.7°
C11	C12	C13	N1	46.8°	54.6°
C12	C11	C10	C9	7.2°	61.1°
C12	C11	C10	H5	113.4°	178.9°
C12	C11	C10	H6	127.7°	58.8°
C11	C12	C13	H7	73.6°	174.4°
C11	C12	C13	H8	167.2°	65.2°
C11	C12	H15	H16	118.7°	120.0°
C12	C11	O3	H17	180.0°	59.7°
C13	C12	C11	C10	54.3°	61.1°
C12	C13	N1	H7	120.4°	119.8°
C12	C13	N1	H8	120.4°	120.0°
C12	C13	N1	C9	8.3°	53.9°
C12	C13	N1	C8	173.3°	126.4°
C12	C13	H7	H8	118.7°	120.4°
C13	C12	C11	H14	64.9°	58.7°
C13	C12	H15	H16	118.7°	120.2°
C11	C10	C9	H5	120.5°	120.0°
C11	C10	C9	H6	120.6°	119.9°
C11	C10	C9	N1	46.4°	54.5°
C11	C10	H5	H6	118.3°	120.0°
C11	C10	C9	H12	73.9°	65.3°
C11	C10	C9	H13	166.7°	174.3°
C10	C11	C12	H15	174.7°	58.7°
C10	C11	C12	H16	66.2°	178.7°
C10	C11	O3	H17	57.5°	180.0°
C13	N1	C9	C10	55.6°	53.9°
C13	N1	C9	C8	178.4°	179.7°
C13	N1	C8	O1	19.6°	180.0°
C13	N1	C8	O2	161.9°	0.0°
N1	C13	H7	H8	118.7°	120.2°
C13	N1	C9	H12	64.7°	65.9°
C13	N1	C9	H13	175.8°	173.7°
N1	C13	C12	H15	167.2°	65.2°
N1	C13	C12	H16	73.6°	174.7°
C10	C9	N1	H12	120.3°	119.8°
C10	C9	N1	H13	120.3°	119.8°
C10	C9	N1	C8	126.0°	126.4°
C9	C10	H5	H6	118.3°	120.1°
C10	C9	H12	H13	119.1°	120.3°
C9	C10	C11	H14	112.1°	58.6°
C9	N1	C8	O1	158.7°	0.3°
C9	N1	C8	O2	19.8°	179.7°
N1	C9	C10	H5	166.9°	174.6°
N1	C9	C10	H6	74.2°	65.4°
C9	N1	C13	H7	128.8°	173.7°
C9	N1	C13	H8	112.1°	66.1°
N1	C9	H12	H13	119.1°	120.4°
N1	C8	O1	O2	178.5°	180.0°
N1	C8	O1	C7	174.7°	180.0°
C8	N1	C13	H7	52.8°	6.6°
C8	N1	C13	H8	66.3°	113.7°
C8	N1	C9	H12	113.7°	113.8°
C8	N1	C9	H13	5.8°	6.6°
C3	C2	C1	H10	180.0°	179.5°
C2	C3	C4	H11	180.0°	179.5°
C3	C2	C1	C6	0.1°	0.3°
C2	C3	C4	C7	179.7°	179.8°
C2	C3	C4	C5	1.3°	0.5°
C3	C2	C1	H9	179.9°	179.7°
C1	C2	C3	C4	0.5°	0.5°
C2	C1	C6	H9	180.0°	180.0°
C2	C1	C6	C5	0.1°	0.0°
C2	C1	C6	H2	179.9°	180.0°
C1	C2	C3	H11	179.5°	180.0°
C8	O1	C7	C4	83.3°	180.0°
C8	O1	C7	H3	36.9°	60.0°
C8	O1	C7	H4	156.5°	60.0°
C7	O1	C8	O2	6.8°	0.0°
O1	C7	C4	C3	86.9°	89.7°
O1	C7	C4	H3	120.2°	120.1°
O1	C7	C4	H4	120.2°	120.0°
O1	C7	C4	C5	94.7°	90.0°
O1	C7	H3	H4	119.4°	120.0°
C3	C4	C7	C5	178.4°	179.7°
C3	C4	C5	C6	1.5°	0.2°
C3	C4	C5	H1	178.5°	179.7°
C3	C4	C7	H3	152.9°	30.3°
C3	C4	C7	H4	33.3°	150.2°
C4	C3	C2	H10	179.5°	180.0°
C1	C6	C5	C4	0.9°	0.0°
C1	C6	C5	H2	180.0°	180.0°
C1	C6	C5	H1	179.1°	180.0°
C6	C1	C2	H10	179.9°	179.7°
C7	C4	C5	C6	179.9°	179.9°
C7	C4	C5	H1	0.1°	0.0°
C4	C7	H3	H4	119.4°	119.9°
C7	C4	C3	H11	0.3°	0.3°
C4	C5	C6	H1	180.0°	179.9°
C4	C5	C6	H2	179.1°	180.0°
C5	C4	C7	H3	25.5°	149.9°
C5	C4	C7	H4	145.1°	30.0°
C5	C4	C3	H11	178.7°	180.0°
C5	C6	C1	H9	179.9°	180.0°
H1	C5	C6	H2	0.9°	0.1°
H2	C6	C1	H9	0.1°	0.0°
H5	C10	C9	H12	46.6°	54.8°
H5	C10	C9	H13	72.8°	65.6°
H5	C10	C11	H14	127.4°	61.4°
H6	C10	C9	H12	165.5°	174.9°
H6	C10	C9	H13	46.1°	54.4°
H6	C10	C11	H14	8.5°	178.6°
H7	C13	C12	H15	46.8°	54.6°
H7	C13	C12	H16	165.9°	65.5°
H8	C13	C12	H15	72.4°	174.9°
H8	C13	C12	H16	46.8°	54.8°
H9	C1	C2	H10	0.1°	0.3°
H10	C2	C3	H11	0.5°	0.5°
H14	C11	C12	H15	55.5°	178.5°
H14	C11	C12	H16	174.7°	61.4°
H14	C11	O3	H17	61.7°	60.1°

Release date:	2018-08-08
Definition date:	2017-07-28
Last modified:	2018-08-03
Release status:	REL
Processing site:	RCSB
Derived from:	5Q23