VXG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	doub	1.21Å	1.22Å
C8	C7	doub	1.38Å	1.38Å	Aromatic
C8	C9	sing	1.38Å	1.39Å	Aromatic
C7	C6	sing	1.38Å	1.38Å	Aromatic
C1	C2	sing	1.51Å	1.52Å
C1	O3	sing	1.34Å	1.20Å
C9	C4	doub	1.38Å	1.39Å	Aromatic
C6	C5	doub	1.38Å	1.38Å	Aromatic
C2	C13	sing	1.55Å	1.53Å
C2	C3	sing	1.54Å	1.53Å
C4	C5	sing	1.38Å	1.39Å	Aromatic
C4	C3	sing	1.51Å	1.51Å
C13	N1	sing	1.48Å	1.48Å
C3	C10	sing	1.54Å	1.53Å
C10	N1	sing	1.47Å	1.47Å
N1	C11	sing	1.35Å	1.35Å
C11	C12	sing	1.51Å	1.50Å
C11	O2	doub	1.21Å	1.23Å
C5	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.08Å	1.08Å
C8	H4	sing	1.08Å	1.08Å
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
C2	H9	sing	1.09Å	1.10Å
C3	H10	sing	1.09Å	1.10Å
C9	H11	sing	1.08Å	1.08Å
C12	H12	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
C12	H14	sing	1.09Å	1.10Å
O3	H15	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	118.7°	120.0°
O1	C1	O3	123.8°	120.0°
C7	C8	C9	120.1°	120.0°
C8	C7	C6	120.1°	120.0°
C8	C7	H3	120.0°	120.0°
C7	C8	H4	120.0°	120.0°
C8	C9	C4	120.7°	120.0°
C9	C8	H4	120.0°	120.0°
C8	C9	H11	119.6°	120.0°
C7	C6	C5	119.9°	119.9°
C7	C6	H2	120.0°	120.0°
C6	C7	H3	120.0°	120.0°
C2	C1	O3	117.4°	120.0°
C1	C2	C13	114.3°	110.7°
C1	C2	C3	111.5°	110.8°
C1	C2	H9	109.6°	110.6°
C1	O3	H15	109.5°	117.0°
C9	C4	C5	118.2°	120.0°
C9	C4	C3	121.5°	120.0°
C4	C9	H11	119.7°	120.0°
C6	C5	C4	121.0°	120.0°
C6	C5	H1	119.5°	120.0°
C5	C6	H2	120.1°	120.0°
C13	C2	C3	102.1°	102.9°
C2	C13	N1	103.9°	103.3°
C2	C13	H7	110.8°	110.7°
C2	C13	H8	110.8°	110.8°
C13	C2	H9	109.5°	110.7°
C2	C3	C4	115.5°	110.3°
C2	C3	C10	101.4°	105.1°
C3	C2	H9	109.5°	110.9°
C2	C3	H10	107.3°	110.3°
C5	C4	C3	120.3°	120.0°
C4	C5	H1	119.5°	120.0°
C4	C3	C10	117.2°	110.2°
C4	C3	H10	107.5°	110.3°
C13	N1	C10	110.7°	105.9°
C13	N1	C11	125.9°	127.1°
N1	C13	H7	110.8°	110.7°
N1	C13	H8	110.8°	110.6°
C3	C10	N1	102.0°	107.1°
C3	C10	H5	111.3°	109.9°
C3	C10	H6	111.3°	110.1°
C10	C3	H10	107.3°	110.5°
C10	N1	C11	123.4°	127.0°
N1	C10	H5	111.3°	109.9°
N1	C10	H6	111.3°	109.9°
N1	C11	C12	118.3°	120.0°
N1	C11	O2	120.4°	120.0°
C12	C11	O2	121.3°	120.0°
C11	C12	H12	109.5°	109.5°
C11	C12	H13	109.5°	109.4°
C11	C12	H14	109.5°	109.5°
H5	C10	H6	109.5°	109.9°
H7	C13	H8	109.5°	110.6°
H12	C12	H13	109.4°	109.5°
H12	C12	H14	109.5°	109.5°
H13	C12	H14	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	O3	178.1°	180.0°
O1	C1	C2	C13	135.7°	118.5°
O1	C1	C2	C3	109.1°	5.1°
O1	C1	C2	H9	12.4°	118.3°
O1	C1	O3	H15	0.0°	0.0°
C7	C8	C9	H4	180.0°	179.7°
C8	C7	C6	H3	180.0°	180.0°
C7	C8	C9	C4	0.7°	0.5°
C8	C7	C6	C5	0.4°	0.0°
C8	C7	C6	H2	179.6°	180.0°
C7	C8	C9	H11	179.3°	179.9°
C9	C8	C7	C6	0.2°	0.3°
C8	C9	C4	H11	180.0°	179.6°
C8	C9	C4	C5	0.6°	0.5°
C8	C9	C4	C3	179.9°	179.7°
C9	C8	C7	H3	179.8°	179.7°
C7	C6	C5	H2	180.0°	180.0°
C7	C6	C5	C4	0.5°	0.0°
C7	C6	C5	H1	179.5°	180.0°
C6	C7	C8	H4	179.8°	179.9°
C1	C2	C13	C3	120.6°	118.4°
C1	C2	C13	H9	123.4°	123.1°
C1	C2	C3	H9	121.5°	123.2°
C1	C2	C3	C4	66.1°	100.9°
C1	C2	C13	N1	150.8°	155.7°
C1	C2	C3	C10	166.1°	140.3°
C1	C2	C13	H7	31.7°	85.8°
C1	C2	C13	H8	90.1°	37.2°
C1	C2	C3	H10	53.8°	21.1°
C2	C1	O3	H15	178.0°	180.0°
O3	C1	C2	C13	46.2°	61.4°
O3	C1	C2	C3	69.1°	174.9°
O3	C1	C2	H9	169.5°	61.7°
C9	C4	C5	C6	0.0°	0.3°
C9	C4	C3	C2	85.8°	59.8°
C9	C4	C5	C3	179.5°	179.8°
C9	C4	C3	C10	33.6°	55.8°
C9	C4	C5	H1	180.0°	179.8°
C4	C9	C8	H4	179.3°	179.8°
C9	C4	C3	H10	154.5°	178.1°
C6	C5	C4	H1	180.0°	180.0°
C6	C5	C4	C3	179.5°	180.0°
C5	C6	C7	H3	179.6°	179.9°
C13	C2	C3	H9	116.0°	118.4°
C13	C2	C3	C4	171.4°	140.7°
C2	C13	N1	H7	119.1°	118.5°
C2	C13	N1	H8	119.1°	118.6°
C13	C2	C3	C10	43.6°	21.9°
C2	C13	N1	C10	5.1°	39.1°
C2	C13	N1	C11	174.2°	140.6°
C2	C13	H7	H8	122.6°	123.2°
C13	C2	C3	H10	68.7°	97.2°
C2	C3	C4	C5	93.7°	120.0°
C2	C3	C4	C10	119.4°	115.6°
C2	C3	C4	H10	119.7°	122.1°
C3	C2	C13	N1	30.2°	37.3°
C2	C3	C10	H10	112.4°	119.0°
C2	C3	C10	N1	40.1°	1.1°
C2	C3	C10	H5	78.7°	118.3°
C2	C3	C10	H6	158.9°	120.6°
C3	C2	C13	H7	88.9°	155.8°
C3	C2	C13	H8	149.3°	81.2°
C5	C4	C3	C10	146.9°	124.4°
C4	C5	C6	H2	179.5°	180.0°
C5	C4	C3	H10	26.0°	2.1°
C5	C4	C9	H11	179.4°	179.9°
C4	C3	C10	H10	121.0°	122.2°
C4	C3	C10	N1	166.8°	117.7°
C3	C4	C5	H1	0.5°	0.0°
C4	C3	C10	H5	48.0°	122.9°
C4	C3	C10	H6	74.5°	1.7°
C4	C3	C2	H9	55.4°	22.3°
C3	C4	C9	H11	0.1°	0.2°
C13	N1	C10	C3	22.1°	25.2°
C13	N1	C10	C11	179.3°	179.7°
C13	N1	C11	C12	4.0°	0.4°
C13	N1	C11	O2	176.2°	179.7°
C13	N1	C10	H5	96.7°	94.2°
C13	N1	C10	H6	140.9°	144.7°
N1	C13	H7	H8	122.6°	123.0°
N1	C13	C2	H9	85.8°	81.2°
C3	C10	N1	H5	118.8°	119.4°
C3	C10	N1	H6	118.8°	119.5°
C3	C10	N1	C11	158.7°	154.5°
C3	C10	H5	H6	123.5°	121.3°
C10	C3	C2	H9	72.4°	96.5°
C10	N1	C11	C12	175.1°	180.0°
C10	N1	C11	O2	4.6°	0.0°
N1	C10	H5	H6	123.5°	121.1°
C10	N1	C13	H7	114.0°	157.5°
C10	N1	C13	H8	124.2°	79.6°
N1	C10	C3	H10	72.3°	120.1°
N1	C11	C12	O2	179.8°	179.9°
C11	N1	C10	H5	82.6°	86.1°
C11	N1	C10	H6	39.9°	34.9°
C11	N1	C13	H7	66.8°	22.1°
C11	N1	C13	H8	55.1°	100.8°
N1	C11	C12	H12	179.8°	0.1°
N1	C11	C12	H13	60.2°	120.0°
N1	C11	C12	H14	59.8°	119.9°
C11	C12	H12	H13	120.0°	119.9°
C11	C12	H12	H14	120.0°	120.0°
C11	C12	H13	H14	120.0°	120.0°
O2	C11	C12	H12	0.0°	180.0°
O2	C11	C12	H13	120.0°	60.1°
O2	C11	C12	H14	120.0°	60.0°
H1	C5	C6	H2	0.5°	0.0°
H2	C6	C7	H3	0.5°	0.1°
H3	C7	C8	H4	0.2°	0.0°
H4	C8	C9	H11	0.7°	0.3°
H5	C10	C3	H10	168.9°	0.7°
H6	C10	C3	H10	46.5°	120.4°
H7	C13	C2	H9	155.1°	37.3°
H8	C13	C2	H9	33.3°	160.3°
H9	C2	C3	H10	175.3°	144.3°
H12	C12	H13	H14	119.9°	120.0°

Release date:	2020-09-30
Definition date:	2020-09-17
Last modified:	2021-01-19
Release status:	REL
Processing site:	RCSB
Derived from:	5RMM