2GQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C9	sing	1.55Å	1.48Å
C10	C11	sing	1.55Å	1.42Å
C9	N1	sing	1.47Å	1.42Å
C11	C12	sing	1.54Å	1.50Å
N1	C12	sing	1.47Å	1.45Å
N1	C7	sing	1.38Å	1.28Å
N	C7	sing	1.37Å	1.36Å
N	C8	sing	1.35Å	1.38Å
C7	C6	doub	1.35Å	1.34Å
O	C8	doub	1.22Å	1.24Å
C8	C3	sing	1.46Å	1.48Å
C6	C4	sing	1.42Å	1.43Å
C3	C4	doub	1.42Å	1.42Å	Aromatic
C3	C2	sing	1.40Å	1.40Å	Aromatic
C4	C5	sing	1.40Å	1.41Å	Aromatic
C2	C1	doub	1.37Å	1.39Å	Aromatic
C5	C	doub	1.37Å	1.38Å	Aromatic
C1	C	sing	1.39Å	1.38Å	Aromatic
C2	H1	sing	1.08Å	1.08Å
C1	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.09Å	1.10Å
C12	H8	sing	1.09Å	1.10Å
C11	H9	sing	1.09Å	1.10Å
C11	H10	sing	1.09Å	1.10Å
C10	H11	sing	1.09Å	1.10Å
C10	H12	sing	1.09Å	1.10Å
C9	H13	sing	1.09Å	1.10Å
C9	H14	sing	1.09Å	1.10Å
N	H15	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	C10	C11	105.4°	101.5°
C10	C9	N1	100.0°	104.7°
C9	C10	H11	110.5°	111.1°
C9	C10	H12	110.5°	111.0°
C10	C9	H13	111.8°	110.4°
C10	C9	H14	111.8°	110.3°
C10	C11	C12	102.4°	102.9°
C10	C11	H9	111.2°	110.7°
C10	C11	H10	111.2°	110.9°
C11	C10	H11	110.5°	111.3°
C11	C10	H12	110.5°	110.7°
C9	N1	C12	110.4°	108.7°
C9	N1	C7	124.4°	125.6°
N1	C9	H13	111.8°	110.6°
N1	C9	H14	111.8°	110.2°
C11	C12	N1	103.5°	107.3°
C11	C12	H7	111.0°	109.9°
C11	C12	H8	111.0°	110.0°
C12	C11	H9	111.2°	110.7°
C12	C11	H10	111.2°	110.7°
C12	N1	C7	125.1°	125.7°
N1	C12	H7	110.9°	109.9°
N1	C12	H8	111.0°	109.8°
N1	C7	N	116.3°	118.8°
N1	C7	C6	118.4°	118.8°
C7	N	C8	122.1°	121.5°
N	C7	C6	125.2°	122.3°
C7	N	H15	119.0°	119.3°
N	C8	O	120.2°	120.5°
N	C8	C3	115.3°	118.9°
C8	N	H15	118.9°	119.2°
C7	C6	C4	117.4°	120.0°
C7	C6	H3	121.3°	120.0°
O	C8	C3	124.4°	120.5°
C8	C3	C4	120.8°	118.5°
C8	C3	C2	120.4°	121.9°
C6	C4	C3	119.0°	118.8°
C6	C4	C5	121.6°	121.7°
C4	C6	H3	121.3°	120.0°
C4	C3	C2	118.8°	119.6°
C3	C4	C5	119.4°	119.5°
C3	C2	C1	120.7°	119.6°
C3	C2	H1	119.7°	120.2°
C4	C5	C	120.5°	119.5°
C4	C5	H5	119.7°	120.2°
C2	C1	C	120.4°	120.9°
C1	C2	H1	119.7°	120.2°
C2	C1	H2	119.8°	119.6°
C5	C	C1	120.3°	121.0°
C	C5	H5	119.8°	120.3°
C5	C	H6	119.8°	119.5°
C	C1	H2	119.8°	119.5°
C1	C	H6	119.9°	119.6°
H7	C12	H8	109.4°	109.9°
H9	C11	H10	109.5°	110.7°
H11	C10	H12	109.5°	111.0°
H13	C9	H14	109.5°	110.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	C10	C11	H11	119.3°	118.2°
C9	C10	C11	H12	119.3°	117.9°
C10	C9	N1	H13	118.5°	118.9°
C10	C9	N1	H14	118.4°	118.6°
C9	C10	C11	C12	41.0°	35.7°
C10	C9	N1	C12	25.8°	24.5°
C10	C9	N1	C7	149.9°	155.8°
C9	C10	C11	H9	77.9°	154.0°
C9	C10	C11	H10	159.9°	82.7°
C9	C10	H11	H12	121.9°	123.9°
C10	C9	H13	H14	124.4°	122.3°
C11	C10	C9	N1	41.6°	37.3°
C10	C11	C12	H9	118.9°	118.4°
C10	C11	C12	H10	118.9°	118.6°
C10	C11	C12	N1	23.8°	22.2°
C10	C11	C12	H7	142.8°	97.2°
C10	C11	C12	H8	95.3°	141.7°
C10	C11	H9	H10	123.3°	123.4°
C11	C10	H11	H12	121.9°	123.8°
C11	C10	C9	H13	160.1°	81.8°
C11	C10	C9	H14	76.8°	155.9°
C9	N1	C12	C11	2.1°	1.3°
C9	N1	C12	C7	175.7°	179.7°
C9	N1	C7	N	3.3°	179.7°
C9	N1	C7	C6	176.0°	0.4°
C9	N1	C12	H7	117.0°	120.7°
C9	N1	C12	H8	121.1°	118.3°
N1	C9	C10	H11	161.0°	81.0°
N1	C9	C10	H12	77.7°	155.0°
N1	C9	H13	H14	124.4°	122.3°
C11	C12	N1	H7	119.1°	119.4°
C11	C12	N1	H8	119.1°	119.6°
C11	C12	N1	C7	173.6°	179.0°
C11	C12	H7	H8	122.8°	121.2°
C12	C11	H9	H10	123.3°	123.1°
C12	C11	C10	H11	160.3°	82.5°
C12	C11	C10	H12	78.3°	153.6°
C12	N1	C7	N	178.4°	0.0°
C12	N1	C7	C6	0.9°	180.0°
N1	C12	H7	H8	122.8°	121.0°
N1	C12	C11	H9	95.1°	140.6°
N1	C12	C11	H10	142.6°	96.3°
C12	N1	C9	H13	144.3°	94.4°
C12	N1	C9	H14	92.6°	143.1°
N1	C7	N	C6	179.3°	179.9°
N1	C7	N	C8	179.2°	179.9°
N1	C7	C6	C4	179.5°	179.7°
N1	C7	C6	H3	0.5°	0.0°
C7	N1	C12	H7	67.3°	59.6°
C7	N1	C12	H8	54.6°	61.4°
C7	N1	C9	H13	31.5°	85.3°
C7	N1	C9	H14	91.6°	37.2°
N1	C7	N	H15	0.8°	0.1°
C7	N	C8	H15	180.0°	180.0°
C7	N	C8	O	177.1°	180.0°
C7	N	C8	C3	0.6°	0.3°
N	C7	C6	C4	0.3°	0.3°
N	C7	C6	H3	179.7°	180.0°
C8	N	C7	C6	0.1°	0.0°
N	C8	O	C3	177.5°	179.8°
N	C8	C3	C4	1.7°	0.3°
N	C8	C3	C2	179.7°	179.8°
C7	C6	C4	H3	180.0°	179.7°
C7	C6	C4	C3	1.3°	0.2°
C7	C6	C4	C5	177.7°	179.8°
C6	C7	N	H15	180.0°	180.0°
O	C8	C3	C4	176.0°	180.0°
O	C8	C3	C2	2.7°	0.0°
O	C8	N	H15	2.9°	0.0°
C8	C3	C4	C6	2.0°	0.0°
C8	C3	C4	C2	178.7°	180.0°
C8	C3	C4	C5	177.0°	180.0°
C8	C3	C2	C1	177.0°	180.0°
C8	C3	C2	H1	3.0°	0.0°
C3	C8	N	H15	179.4°	179.7°
C6	C4	C3	C5	179.0°	180.0°
C6	C4	C3	C2	179.3°	180.0°
C6	C4	C5	C	179.8°	180.0°
C6	C4	C5	H5	0.3°	0.0°
C4	C3	C2	C1	1.7°	0.0°
C3	C4	C5	C	0.7°	0.0°
C4	C3	C2	H1	178.3°	180.0°
C3	C4	C6	H3	178.7°	179.9°
C3	C4	C5	H5	179.3°	180.0°
C2	C3	C4	C5	1.7°	0.0°
C3	C2	C1	H1	180.0°	179.9°
C3	C2	C1	C	0.7°	0.0°
C3	C2	C1	H2	179.3°	180.0°
C4	C5	C	H5	180.0°	179.9°
C4	C5	C	C1	0.2°	0.1°
C5	C4	C6	H3	2.3°	0.1°
C4	C5	C	H6	179.8°	180.0°
C2	C1	C	C5	0.2°	0.1°
C2	C1	C	H2	180.0°	179.9°
C2	C1	C	H6	179.8°	180.0°
C5	C	C1	H6	180.0°	179.9°
C5	C	C1	H2	179.8°	180.0°
C	C1	C2	H1	179.3°	179.9°
C1	C	C5	H5	179.8°	180.0°
H1	C2	C1	H2	0.8°	0.0°
H2	C1	C	H6	0.2°	0.1°
H5	C5	C	H6	0.2°	0.1°
H7	C12	C11	H9	23.9°	21.2°
H7	C12	C11	H10	98.4°	144.3°
H8	C12	C11	H9	145.8°	100.0°
H8	C12	C11	H10	23.5°	23.1°
H9	C11	C10	H11	41.5°	35.8°
H9	C11	C10	H12	162.8°	88.1°
H10	C11	C10	H11	80.8°	159.1°
H10	C11	C10	H12	40.5°	35.2°
H11	C10	C9	H13	80.6°	159.9°
H11	C10	C9	H14	42.5°	37.5°
H12	C10	C9	H13	40.7°	35.9°
H12	C10	C9	H14	163.8°	86.4°

Release date:	2013-12-18
Definition date:	2013-10-16
Last modified:	2013-12-13
Release status:	REL
Processing site:	RCSB
Derived from:	4N7M