2QG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C1	doub	1.38Å	1.38Å	Aromatic
C2	C3	sing	1.38Å	1.39Å	Aromatic
C1	C6	sing	1.39Å	1.39Å	Aromatic
CL1	C3	sing	1.74Å	1.74Å
C3	C4	doub	1.38Å	1.38Å	Aromatic
C6	O7	sing	1.36Å	1.36Å
C6	C5	doub	1.39Å	1.39Å	Aromatic
C8	O7	sing	1.43Å	1.44Å
C8	C9	sing	1.53Å	1.53Å
C9	C10	sing	1.53Å	1.53Å
C4	C5	sing	1.38Å	1.38Å	Aromatic
C10	C11	sing	1.53Å	1.53Å
C11	C12	sing	1.53Å	1.54Å
N18	C17	trip	1.14Å	1.14Å
C12	C13	sing	1.53Å	1.53Å
C13	N14	sing	1.47Å	1.47Å
C17	N16	sing	1.36Å	1.36Å
N14	C15	doub	1.30Å	1.38Å
N16	C15	sing	1.38Å	1.34Å
C15	N19	sing	1.38Å	1.38Å
N19	C20	sing	1.39Å	1.41Å
C21	C20	doub	1.39Å	1.40Å	Aromatic
C21	C22	sing	1.38Å	1.38Å	Aromatic
C20	C25	sing	1.39Å	1.39Å	Aromatic
C22	N23	doub	1.32Å	1.32Å	Aromatic
C25	C24	doub	1.38Å	1.38Å	Aromatic
N23	C24	sing	1.32Å	1.32Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C4	H3	sing	1.08Å	1.08Å
C5	H4	sing	1.08Å	1.08Å
C8	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C9	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å
C10	H9	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
C12	H14	sing	1.09Å	1.10Å
C13	H15	sing	1.09Å	1.10Å
C13	H16	sing	1.09Å	1.10Å
C21	H17	sing	1.08Å	1.08Å
N16	H18	sing	0.97Å	1.00Å
N19	H19	sing	0.97Å	1.00Å
C22	H20	sing	1.08Å	1.08Å
C24	H21	sing	1.08Å	1.08Å
C25	H22	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	120.3°	120.0°
C2	C1	C6	119.9°	120.0°
C2	C1	H1	120.1°	120.0°
C1	C2	H2	119.9°	120.0°
C2	C3	CL1	120.3°	119.9°
C2	C3	C4	119.9°	120.1°
C3	C2	H2	119.8°	120.0°
C1	C6	O7	120.7°	120.1°
C1	C6	C5	119.7°	119.9°
C6	C1	H1	120.1°	120.0°
CL1	C3	C4	119.8°	120.0°
C3	C4	C5	120.1°	120.0°
C3	C4	H3	120.0°	120.0°
O7	C6	C5	119.6°	120.0°
C6	O7	C8	118.5°	117.0°
C6	C5	C4	120.2°	120.0°
C6	C5	H4	119.9°	120.0°
O7	C8	C9	110.3°	109.4°
O7	C8	H5	109.3°	109.5°
O7	C8	H6	109.3°	109.4°
C8	C9	C10	110.9°	109.4°
C9	C8	H5	109.3°	109.5°
C9	C8	H6	109.2°	109.5°
C8	C9	H7	109.1°	109.5°
C8	C9	H8	109.1°	109.5°
C9	C10	C11	109.0°	109.5°
C10	C9	H7	109.1°	109.5°
C10	C9	H8	109.1°	109.4°
C9	C10	H9	109.6°	109.5°
C9	C10	H10	109.6°	109.4°
C5	C4	H3	120.0°	120.0°
C4	C5	H4	119.9°	120.0°
C10	C11	C12	111.5°	109.5°
C11	C10	H9	109.6°	109.5°
C11	C10	H10	109.6°	109.5°
C10	C11	H11	109.0°	109.5°
C10	C11	H12	109.0°	109.5°
C11	C12	C13	108.5°	109.5°
C12	C11	H11	109.0°	109.5°
C12	C11	H12	109.0°	109.4°
C11	C12	H13	109.7°	109.5°
C11	C12	H14	109.7°	109.4°
N18	C17	N16	179.6°	180.0°
C12	C13	N14	110.7°	109.4°
C13	C12	H13	109.7°	109.5°
C13	C12	H14	109.7°	109.5°
C12	C13	H15	109.2°	109.5°
C12	C13	H16	109.1°	109.5°
C13	N14	C15	129.6°	120.0°
N14	C13	H15	109.2°	109.5°
N14	C13	H16	109.2°	109.5°
C17	N16	C15	128.9°	120.0°
C17	N16	H18	115.5°	120.0°
N14	C15	N16	126.5°	120.0°
N14	C15	N19	113.7°	120.0°
N16	C15	N19	119.8°	120.0°
C15	N16	H18	115.5°	120.0°
C15	N19	C20	129.3°	120.0°
C15	N19	H19	115.4°	120.0°
N19	C20	C21	125.2°	120.9°
N19	C20	C25	118.1°	120.9°
C20	N19	H19	115.4°	120.0°
C20	C21	C22	120.0°	119.1°
C21	C20	C25	116.8°	118.2°
C20	C21	H17	120.0°	120.4°
C21	C22	N23	120.6°	120.8°
C22	C21	H17	120.0°	120.5°
C21	C22	H20	119.7°	119.6°
C20	C25	C24	120.1°	119.1°
C20	C25	H22	120.0°	120.5°
C22	N23	C24	121.9°	121.9°
N23	C22	H20	119.7°	119.6°
C25	C24	N23	120.6°	120.8°
C25	C24	H21	119.7°	119.6°
C24	C25	H22	119.9°	120.4°
N23	C24	H21	119.7°	119.6°
H5	C8	H6	109.5°	109.5°
H7	C9	H8	109.4°	109.5°
H9	C10	H10	109.5°	109.5°
H11	C11	H12	109.4°	109.5°
H13	C12	H14	109.5°	109.5°
H15	C13	H16	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	H2	180.0°	179.9°
C2	C1	C6	H1	180.0°	179.7°
C1	C2	C3	CL1	179.9°	180.0°
C1	C2	C3	C4	0.1°	0.1°
C2	C1	C6	O7	179.7°	179.7°
C2	C1	C6	C5	0.4°	0.0°
C3	C2	C1	C6	0.1°	0.0°
C2	C3	CL1	C4	180.0°	179.9°
C2	C3	C4	C5	0.1°	0.0°
C3	C2	C1	H1	179.9°	179.7°
C2	C3	C4	H3	179.9°	180.0°
C1	C6	O7	C5	179.3°	179.8°
C1	C6	O7	C8	57.0°	180.0°
C1	C6	C5	C4	0.4°	0.1°
C6	C1	C2	H2	179.9°	180.0°
C1	C6	C5	H4	179.5°	180.0°
CL1	C3	C4	C5	179.9°	179.9°
CL1	C3	C2	H2	0.1°	0.1°
CL1	C3	C4	H3	0.0°	0.0°
C3	C4	C5	C6	0.2°	0.1°
C3	C4	C5	H3	180.0°	180.0°
C4	C3	C2	H2	179.9°	180.0°
C3	C4	C5	H4	179.8°	180.0°
C6	O7	C8	C9	57.2°	180.0°
O7	C6	C5	C4	179.8°	179.7°
O7	C6	C1	H1	0.3°	0.0°
O7	C6	C5	H4	0.2°	0.3°
C6	O7	C8	H5	62.9°	60.0°
C6	O7	C8	H6	177.3°	60.0°
C5	C6	O7	C8	123.7°	0.2°
C6	C5	C4	H4	180.0°	179.9°
C5	C6	C1	H1	179.6°	179.8°
C6	C5	C4	H3	179.8°	180.0°
O7	C8	C9	H5	120.1°	120.0°
O7	C8	C9	H6	120.1°	119.9°
O7	C8	C9	C10	64.1°	180.0°
O7	C8	H5	H6	119.7°	120.0°
O7	C8	C9	H7	56.1°	60.0°
O7	C8	C9	H8	175.7°	60.0°
C8	C9	C10	H7	120.2°	120.0°
C8	C9	C10	H8	120.2°	120.0°
C8	C9	C10	C11	168.3°	180.0°
C9	C8	H5	H6	119.6°	120.0°
C8	C9	H7	H8	119.3°	120.1°
C8	C9	C10	H9	71.7°	60.0°
C8	C9	C10	H10	48.4°	60.0°
C9	C10	C11	H9	119.9°	120.0°
C9	C10	C11	H10	119.9°	119.9°
C9	C10	C11	C12	158.9°	180.0°
C10	C9	C8	H5	175.8°	60.1°
C10	C9	C8	H6	56.0°	60.0°
C10	C9	H7	H8	119.3°	120.0°
C9	C10	H9	H10	120.2°	120.0°
C9	C10	C11	H11	80.8°	60.0°
C9	C10	C11	H12	38.6°	60.1°
C10	C11	C12	H11	120.3°	120.0°
C10	C11	C12	H12	120.3°	119.9°
C10	C11	C12	C13	158.1°	180.0°
C11	C10	C9	H7	48.1°	60.0°
C11	C10	C9	H8	71.4°	60.1°
C11	C10	H9	H10	120.2°	120.0°
C10	C11	H11	H12	119.1°	120.0°
C10	C11	C12	H13	38.3°	59.9°
C10	C11	C12	H14	82.0°	60.1°
C11	C12	C13	H13	119.8°	120.0°
C11	C12	C13	H14	119.9°	119.9°
C11	C12	C13	N14	166.8°	180.0°
C12	C11	C10	H9	39.0°	60.0°
C12	C11	C10	H10	81.2°	60.1°
C12	C11	H11	H12	119.0°	120.0°
C11	C12	H13	H14	120.5°	120.0°
C11	C12	C13	H15	46.6°	60.0°
C11	C12	C13	H16	73.0°	60.1°
N18	C17	N16	C15	43.1°	152.1°
N18	C17	N16	H18	136.9°	27.9°
C12	C13	N14	H15	120.2°	120.0°
C12	C13	N14	H16	120.2°	120.0°
C12	C13	N14	C15	79.0°	123.3°
C13	C12	C11	H11	81.6°	60.0°
C13	C12	C11	H12	37.8°	60.1°
C13	C12	H13	H14	120.4°	120.0°
C12	C13	H15	H16	119.4°	120.0°
C13	N14	C15	N16	8.1°	5.9°
C13	N14	C15	N19	172.6°	174.1°
N14	C13	C12	H13	73.4°	60.0°
N14	C13	C12	H14	46.9°	60.0°
N14	C13	H15	H16	119.4°	120.0°
C17	N16	C15	N14	0.3°	175.9°
C17	N16	C15	H18	180.0°	180.0°
C17	N16	C15	N19	179.6°	4.1°
N14	C15	N16	N19	179.3°	180.0°
N14	C15	N19	C20	170.0°	0.1°
C15	N14	C13	H15	160.8°	3.3°
C15	N14	C13	H16	41.2°	116.8°
N14	C15	N16	H18	179.7°	4.1°
N14	C15	N19	H19	10.0°	180.0°
N16	C15	N19	C20	10.6°	180.0°
N16	C15	N19	H19	169.4°	0.1°
C15	N19	C20	H19	180.0°	179.9°
C15	N19	C20	C21	16.0°	36.5°
C15	N19	C20	C25	164.9°	143.2°
N19	C15	N16	H18	0.4°	175.9°
N19	C20	C21	C25	179.1°	179.7°
N19	C20	C21	C22	179.8°	179.7°
N19	C20	C25	C24	180.0°	179.7°
N19	C20	C21	H17	0.2°	0.3°
N19	C20	C25	H22	0.0°	0.3°
C20	C21	C22	H17	180.0°	180.0°
C20	C21	C22	N23	0.3°	0.1°
C21	C20	C25	C24	0.8°	0.0°
C21	C20	N19	H19	164.0°	143.4°
C20	C21	C22	H20	179.7°	180.0°
C21	C20	C25	H22	179.2°	180.0°
C22	C21	C20	C25	0.7°	0.1°
C21	C22	N23	H20	180.0°	179.9°
C21	C22	N23	C24	0.0°	0.1°
C20	C25	C24	H22	180.0°	180.0°
C20	C25	C24	N23	0.6°	0.0°
C25	C20	C21	H17	179.3°	180.0°
C25	C20	N19	H19	15.1°	36.9°
C20	C25	C24	H21	179.4°	180.0°
C22	N23	C24	C25	0.1°	0.0°
N23	C22	C21	H17	179.7°	180.0°
C22	N23	C24	H21	179.9°	179.9°
C25	C24	N23	H21	180.0°	179.9°
C24	N23	C22	H20	180.0°	180.0°
N23	C24	C25	H22	179.4°	180.0°
H1	C1	C2	H2	0.1°	0.3°
H3	C4	C5	H4	0.3°	0.0°
H5	C8	C9	H7	64.0°	59.9°
H5	C8	C9	H8	55.5°	180.0°
H6	C8	C9	H7	176.3°	180.0°
H6	C8	C9	H8	64.2°	59.9°
H7	C9	C10	H9	168.0°	180.0°
H7	C9	C10	H10	71.8°	60.0°
H8	C9	C10	H9	48.5°	60.0°
H8	C9	C10	H10	168.7°	180.0°
H9	C10	C11	H11	159.3°	180.0°
H9	C10	C11	H12	81.4°	60.0°
H10	C10	C11	H11	39.1°	59.9°
H10	C10	C11	H12	158.5°	180.0°
H11	C11	C12	H13	158.6°	180.0°
H11	C11	C12	H14	38.3°	60.0°
H12	C11	C12	H13	82.1°	60.0°
H12	C11	C12	H14	157.6°	180.0°
H13	C12	C13	H15	166.5°	180.0°
H13	C12	C13	H16	46.8°	60.0°
H14	C12	C13	H15	73.3°	59.9°
H14	C12	C13	H16	167.1°	180.0°
H17	C21	C22	H20	0.3°	0.0°
H21	C24	C25	H22	0.6°	0.1°

Release date:	2014-06-18
Definition date:	2014-01-08
Last modified:	2014-06-13
Release status:	REL
Processing site:	RCSB
Derived from:	4O12