2VG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C13	doub	1.21Å	1.22Å
O2	C13	sing	1.34Å	1.33Å
C13	C10	sing	1.51Å	1.50Å
C11	C10	sing	1.53Å	1.53Å
C11	C12	sing	1.53Å	1.53Å
C10	C9	sing	1.53Å	1.54Å
C12	C8	sing	1.51Å	1.51Å
C9	C7	sing	1.51Å	1.52Å
C8	C7	doub	1.35Å	1.39Å	Aromatic
C8	C2	sing	1.46Å	1.38Å	Aromatic
C7	N	sing	1.37Å	1.35Å	Aromatic
C2	C3	doub	1.40Å	1.39Å	Aromatic
C2	C1	sing	1.41Å	1.39Å	Aromatic
C3	C4	sing	1.38Å	1.39Å	Aromatic
N	C1	sing	1.38Å	1.34Å	Aromatic
C1	C6	doub	1.39Å	1.39Å	Aromatic
C4	CL	sing	1.74Å	1.79Å
C4	C5	doub	1.39Å	1.40Å	Aromatic
C6	C5	sing	1.38Å	1.39Å	Aromatic
C3	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
N	H4	sing	0.97Å	1.00Å
C12	H5	sing	1.09Å	1.10Å
C12	H6	sing	1.09Å	1.10Å
C11	H7	sing	1.09Å	1.10Å
C11	H8	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å
C9	H10	sing	1.09Å	1.10Å
C10	H11	sing	1.09Å	1.10Å
O2	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C13	O2	118.9°	120.0°
O1	C13	C10	122.2°	120.0°
O2	C13	C10	118.9°	120.0°
C13	O2	H12	109.5°	117.0°
C13	C10	C11	108.1°	109.5°
C13	C10	C9	111.2°	109.5°
C13	C10	H11	108.6°	109.5°
C10	C11	C12	112.6°	109.3°
C11	C10	C9	112.5°	109.5°
C10	C11	H7	108.7°	109.5°
C10	C11	H8	108.7°	109.5°
C11	C10	H11	108.2°	109.5°
C11	C12	C8	106.8°	108.5°
C11	C12	H5	110.1°	109.7°
C11	C12	H6	110.1°	109.8°
C12	C11	H7	108.7°	109.5°
C12	C11	H8	108.7°	109.5°
C10	C9	C7	110.0°	108.5°
C10	C9	H9	109.3°	109.6°
C10	C9	H10	109.3°	109.8°
C9	C10	H11	108.2°	109.5°
C12	C8	C7	124.8°	124.7°
C12	C8	C2	128.9°	127.9°
C8	C12	H5	110.2°	109.6°
C8	C12	H6	110.2°	109.6°
C9	C7	C8	124.1°	123.6°
C9	C7	N	127.4°	126.8°
C7	C9	H9	109.4°	109.6°
C7	C9	H10	109.3°	109.6°
C7	C8	C2	106.3°	107.4°
C8	C7	N	108.5°	109.6°
C8	C2	C3	130.1°	134.3°
C8	C2	C1	107.9°	105.9°
C7	N	C1	109.7°	109.9°
C7	N	H4	125.1°	125.0°
C3	C2	C1	122.0°	119.8°
C2	C3	C4	118.1°	119.7°
C2	C3	H1	120.9°	120.2°
C2	C1	N	107.6°	107.2°
C2	C1	C6	119.6°	119.5°
C3	C4	CL	119.1°	119.8°
C3	C4	C5	120.8°	120.4°
C4	C3	H1	121.0°	120.1°
N	C1	C6	132.8°	133.3°
C1	N	H4	125.2°	125.1°
C1	C6	C5	119.2°	120.0°
C1	C6	H3	120.4°	120.0°
CL	C4	C5	120.1°	119.8°
C4	C5	C6	120.4°	120.6°
C4	C5	H2	119.8°	119.7°
C6	C5	H2	119.8°	119.7°
C5	C6	H3	120.4°	120.0°
H5	C12	H6	109.5°	109.6°
H7	C11	H8	109.5°	109.5°
H9	C9	H10	109.4°	109.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C13	O2	C10	179.1°	180.0°
O1	C13	C10	C11	102.3°	0.0°
O1	C13	C10	C9	21.6°	120.0°
O1	C13	C10	H11	140.5°	120.0°
O1	C13	O2	H12	0.0°	0.0°
O2	C13	C10	C11	76.8°	180.0°
O2	C13	C10	C9	159.3°	60.0°
O2	C13	C10	H11	40.4°	60.0°
C13	C10	C11	C9	123.2°	120.0°
C13	C10	C11	H11	117.4°	120.0°
C13	C10	C11	C12	172.6°	170.0°
C13	C10	C9	H11	119.1°	120.0°
C13	C10	C9	C7	159.9°	170.2°
C13	C10	C11	H7	66.9°	50.0°
C13	C10	C11	H8	52.2°	70.1°
C13	C10	C9	H9	80.0°	50.5°
C13	C10	C9	H10	39.8°	70.0°
C10	C13	O2	H12	179.2°	180.0°
C10	C11	C12	H7	120.5°	119.9°
C10	C11	C12	H8	120.5°	120.0°
C11	C10	C9	H11	119.4°	120.0°
C10	C11	C12	C8	51.4°	49.6°
C11	C10	C9	C7	38.4°	50.3°
C10	C11	C12	H5	171.0°	70.1°
C10	C11	C12	H6	68.1°	169.4°
C10	C11	H7	H8	118.6°	120.1°
C11	C10	C9	H9	158.5°	69.5°
C11	C10	C9	H10	81.7°	170.0°
C12	C11	C10	C9	64.2°	70.0°
C11	C12	C8	H5	119.6°	119.7°
C11	C12	C8	H6	119.6°	119.9°
C11	C12	C8	C7	21.1°	16.4°
C11	C12	C8	C2	158.2°	163.5°
C11	C12	H5	H6	121.2°	120.6°
C12	C11	H7	H8	118.6°	120.1°
C12	C11	C10	H11	55.2°	50.0°
C10	C9	C7	H9	120.1°	119.7°
C10	C9	C7	H10	120.1°	119.9°
C10	C9	C7	C8	8.3°	16.9°
C10	C9	C7	N	172.1°	163.2°
C9	C10	C11	H7	56.3°	170.0°
C9	C10	C11	H8	175.3°	49.9°
C10	C9	H9	H10	119.7°	120.6°
C12	C8	C7	C9	0.1°	0.1°
C12	C8	C7	C2	179.5°	179.9°
C12	C8	C7	N	179.6°	179.8°
C12	C8	C2	C3	0.6°	0.2°
C12	C8	C2	C1	179.7°	179.8°
C8	C12	H5	H6	121.3°	120.4°
C8	C12	C11	H7	69.0°	169.5°
C8	C12	C11	H8	171.9°	70.4°
C9	C7	C8	N	179.7°	180.0°
C9	C7	C8	C2	179.6°	180.0°
C9	C7	N	C1	179.7°	180.0°
C9	C7	N	H4	0.3°	0.1°
C7	C9	H9	H10	119.8°	120.3°
C7	C9	C10	H11	81.0°	69.8°
C7	C8	C2	C3	180.0°	179.9°
C7	C8	C2	C1	0.2°	0.1°
C8	C7	N	C1	0.1°	0.0°
C8	C7	N	H4	179.9°	180.0°
C7	C8	C12	H5	140.7°	103.3°
C7	C8	C12	H6	98.4°	136.3°
C8	C7	C9	H9	128.4°	102.9°
C8	C7	C9	H10	111.8°	136.7°
C2	C8	C7	N	0.1°	0.1°
C8	C2	C3	C1	179.7°	180.0°
C8	C2	C3	C4	179.7°	179.9°
C8	C2	C1	N	0.3°	0.1°
C8	C2	C1	C6	179.9°	179.6°
C8	C2	C3	H1	0.2°	0.1°
C2	C8	C12	H5	38.7°	76.8°
C2	C8	C12	H6	82.2°	43.6°
C7	N	C1	C2	0.2°	0.1°
C7	N	C1	H4	180.0°	180.0°
C7	N	C1	C6	180.0°	179.6°
N	C7	C9	H9	52.1°	77.1°
N	C7	C9	H10	67.8°	43.3°
C2	C3	C4	H1	180.0°	180.0°
C3	C2	C1	N	180.0°	179.9°
C3	C2	C1	C6	0.2°	0.3°
C2	C3	C4	CL	179.8°	180.0°
C2	C3	C4	C5	0.1°	0.2°
C1	C2	C3	C4	0.0°	0.1°
C2	C1	N	C6	179.8°	179.7°
C2	C1	C6	C5	0.2°	0.3°
C1	C2	C3	H1	180.0°	179.9°
C2	C1	C6	H3	179.8°	179.7°
C2	C1	N	H4	179.8°	179.9°
C3	C4	CL	C5	179.7°	179.7°
C3	C4	C5	C6	0.1°	0.3°
C3	C4	C5	H2	179.9°	179.6°
N	C1	C6	C5	179.9°	180.0°
N	C1	C6	H3	0.1°	0.0°
C1	C6	C5	C4	0.1°	0.0°
C1	C6	C5	H3	180.0°	180.0°
C1	C6	C5	H2	180.0°	179.9°
C6	C1	N	H4	0.0°	0.4°
CL	C4	C5	C6	179.8°	180.0°
CL	C4	C3	H1	0.2°	0.0°
CL	C4	C5	H2	0.2°	0.1°
C4	C5	C6	H2	180.0°	179.9°
C5	C4	C3	H1	179.9°	179.8°
C4	C5	C6	H3	180.0°	180.0°
H2	C5	C6	H3	0.0°	0.1°
H5	C12	C11	H7	50.6°	49.8°
H5	C12	C11	H8	68.5°	169.9°
H6	C12	C11	H7	171.4°	70.7°
H6	C12	C11	H8	52.3°	49.4°
H7	C11	C10	H11	175.7°	70.0°
H8	C11	C10	H11	65.2°	169.9°
H9	C9	C10	H11	39.1°	170.5°
H10	C9	C10	H11	158.9°	50.0°

Release date:	2014-03-05
Definition date:	2014-02-24
Last modified:	2014-02-28
Release status:	REL
Processing site:	RCSB
Derived from:	4OVF