GSG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.39Å	1.46Å	Aromatic
C1	C6	doub	1.39Å	1.41Å	Aromatic
C1	N1	sing	1.41Å	1.44Å
C2	C3	doub	1.39Å	1.44Å	Aromatic
C2	C8	sing	1.49Å	1.53Å
C3	C4	sing	1.39Å	1.41Å	Aromatic
C3	H3	sing	1.09Å	1.08Å
C4	C5	doub	1.39Å	1.40Å	Aromatic
C4	H4	sing	1.09Å	1.08Å
C5	C6	sing	1.39Å	1.41Å	Aromatic
C5	H5	sing	1.09Å	1.08Å
C6	H6	sing	1.09Å	1.08Å
N1	C7	sing	1.38Å	1.34Å
N1	HN1	sing	1.02Å	1.00Å
C7	O1	doub	1.23Å	1.21Å
C7	O2	sing	1.41Å	88.19Å
C8	C9	sing	1.53Å	1.53Å
C8	H81	sing	1.10Å	1.10Å
C8	H82	sing	1.10Å	1.10Å
C9	H91	sing	1.10Å	1.10Å
C9	H92	sing	1.09Å	1.10Å
C9	H93	sing	1.10Å	1.10Å
O2	C10	sing	1.36Å	0.00Å
C10	C11	doub	1.41Å	0.00Å	Aromatic
C10	C18	sing	1.40Å	0.00Å	Aromatic
C11	C12	sing	1.40Å	0.00Å	Aromatic
C11	H11	sing	1.09Å	0.00Å
C12	C13	doub	1.38Å	0.00Å	Aromatic
C12	H12	sing	1.08Å	0.00Å
C13	N2	sing	1.43Å	0.00Å
C13	C17	sing	1.42Å	0.00Å	Aromatic
N2	C14	sing	1.44Å	0.00Å
N2	C15	sing	1.45Å	0.00Å
C14	H141	sing	1.09Å	0.00Å
C14	H142	sing	1.09Å	0.00Å
C14	H143	sing	1.09Å	0.00Å
C15	C16	sing	1.55Å	0.00Å
C15	N3	sing	1.49Å	0.00Å
C15	H15	sing	1.11Å	0.00Å
C16	C17	sing	1.50Å	0.00Å
C16	C19	sing	1.55Å	0.00Å
C16	C20	sing	1.52Å	0.00Å
C17	C18	doub	1.38Å	0.00Å	Aromatic
C18	H18	sing	1.08Å	0.00Å
C19	H191	sing	1.09Å	0.00Å
C19	H192	sing	1.09Å	0.00Å
C19	H193	sing	1.09Å	0.00Å
C20	C21	sing	1.55Å	0.00Å
C20	H201	sing	1.10Å	0.00Å
C20	H202	sing	1.09Å	0.00Å
C21	N3	sing	1.55Å	0.00Å
C21	H211	sing	1.09Å	0.00Å
C21	H212	sing	1.09Å	0.00Å
N3	O3	sing	1.36Å	0.00Å
N3	C22	sing	1.50Å	0.00Å
C22	H221	sing	1.09Å	0.00Å
C22	H222	sing	1.09Å	0.00Å
C22	H223	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	121.1°	121.1°
C2	C1	N1	120.0°	120.3°
C1	C2	C3	116.3°	119.4°
C1	C2	C8	123.2°	121.7°
C6	C1	N1	118.8°	118.6°
C1	C6	C5	119.9°	119.4°
C1	C6	H6	120.1°	121.2°
C1	N1	C7	125.2°	128.0°
C1	N1	HN1	117.4°	116.0°
C3	C2	C8	120.5°	118.9°
C2	C3	C4	121.9°	120.0°
C2	C3	H3	119.0°	120.5°
C2	C8	C9	115.1°	112.3°
C2	C8	H81	107.7°	110.3°
C2	C8	H82	106.3°	110.3°
C4	C3	H3	119.1°	119.4°
C3	C4	C5	119.9°	120.0°
C3	C4	H4	120.0°	120.0°
C5	C4	H4	120.0°	120.0°
C4	C5	C6	120.8°	120.0°
C4	C5	H5	119.6°	120.0°
C6	C5	H5	119.6°	120.0°
C5	C6	H6	120.0°	119.3°
C7	N1	HN1	117.4°	116.0°
N1	C7	O1	127.1°	127.7°
N1	C7	O2	147.0°	109.7°
O1	C7	O2	67.2°	122.6°
C7	O2	C10	90.0°	115.2°
C9	C8	H81	107.6°	109.1°
C9	C8	H82	106.3°	109.2°
C8	C9	H91	109.5°	111.1°
C8	C9	H92	109.5°	110.7°
C8	C9	H93	109.4°	111.1°
H81	C8	H82	114.0°	105.5°
H91	C9	H92	109.4°	108.0°
H91	C9	H93	109.5°	107.8°
H92	C9	H93	109.5°	108.1°
O2	C10	C11	90.0°	119.5°
O2	C10	C18	90.0°	119.6°
C11	C10	C18	90.0°	120.9°
C10	C11	C12	90.0°	121.2°
C10	C11	H11	90.0°	119.6°
C10	C18	C17	90.0°	117.5°
C10	C18	H18	90.0°	121.3°
C12	C11	H11	90.0°	119.1°
C11	C12	C13	90.0°	118.2°
C11	C12	H12	90.0°	119.8°
C13	C12	H12	90.0°	122.0°
C12	C13	N2	90.0°	128.8°
C12	C13	C17	90.0°	119.9°
N2	C13	C17	90.0°	111.2°
C13	N2	C14	90.0°	120.7°
C13	N2	C15	90.0°	99.4°
C13	C17	C16	90.0°	107.3°
C13	C17	C18	90.0°	122.2°
C14	N2	C15	90.0°	123.5°
N2	C14	H141	90.0°	110.1°
N2	C14	H142	90.0°	110.2°
N2	C14	H143	90.0°	110.3°
N2	C15	C16	90.0°	105.7°
N2	C15	N3	90.0°	125.7°
N2	C15	H15	90.0°	107.1°
H141	C14	H142	90.0°	108.7°
H141	C14	H143	90.0°	108.8°
H142	C14	H143	90.0°	108.7°
C16	C15	N3	90.0°	104.7°
C16	C15	H15	90.0°	110.0°
C15	C16	C17	90.0°	95.3°
C15	C16	C19	90.0°	117.2°
C15	C16	C20	90.0°	98.1°
N3	C15	H15	90.0°	103.0°
C15	N3	C21	90.0°	101.6°
C15	N3	O3	90.0°	111.7°
C15	N3	C22	90.0°	112.4°
C17	C16	C19	90.0°	107.4°
C17	C16	C20	90.0°	127.6°
C16	C17	C18	90.0°	130.4°
C19	C16	C20	90.0°	110.5°
C16	C19	H191	90.0°	110.6°
C16	C19	H192	90.0°	110.6°
C16	C19	H193	90.0°	110.6°
C16	C20	C21	90.0°	102.2°
C16	C20	H201	90.0°	111.5°
C16	C20	H202	90.0°	113.8°
C17	C18	H18	90.0°	121.2°
H191	C19	H192	90.0°	108.3°
H191	C19	H193	90.0°	108.4°
H192	C19	H193	90.0°	108.3°
C21	C20	H201	90.0°	110.1°
C21	C20	H202	90.0°	111.8°
C20	C21	N3	90.0°	107.2°
C20	C21	H211	90.0°	112.6°
C20	C21	H212	90.0°	111.3°
H201	C20	H202	90.0°	107.4°
N3	C21	H211	90.0°	106.7°
N3	C21	H212	90.0°	109.0°
C21	N3	O3	90.0°	112.1°
C21	N3	C22	90.0°	110.2°
H211	C21	H212	90.0°	109.8°
O3	N3	C22	90.0°	108.8°
N3	C22	H221	90.0°	107.8°
N3	C22	H222	90.0°	107.8°
N3	C22	H223	90.0°	107.8°
H221	C22	H222	90.0°	111.1°
H221	C22	H223	90.0°	111.1°
H222	C22	H223	90.0°	111.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	N1	176.6°	180.0°
C1	C2	C3	C8	179.4°	179.9°
C1	C2	C3	C4	0.0°	0.1°
C1	C2	C3	H3	180.0°	180.0°
C2	C1	C6	C5	0.1°	0.0°
C2	C1	C6	H6	179.9°	179.9°
C2	C1	N1	C7	80.1°	179.9°
C2	C1	N1	HN1	99.9°	0.1°
C1	C2	C8	C9	155.1°	90.0°
C1	C2	C8	H81	84.9°	31.9°
C1	C2	C8	H82	37.6°	148.0°
C6	C1	C2	C3	0.0°	0.1°
C6	C1	C2	C8	179.3°	180.0°
C1	C6	C5	C4	0.1°	0.0°
C1	C6	C5	H6	180.0°	180.0°
C1	C6	C5	H5	179.9°	179.9°
C6	C1	N1	C7	96.5°	0.0°
C6	C1	N1	HN1	83.5°	180.0°
N1	C1	C2	C3	176.6°	180.0°
N1	C1	C2	C8	4.1°	0.1°
N1	C1	C6	C5	176.7°	180.0°
N1	C1	C6	H6	3.2°	0.0°
C1	N1	C7	HN1	180.0°	180.0°
C1	N1	C7	O1	3.1°	0.0°
C1	N1	C7	O2	108.8°	180.0°
C2	C3	C4	H3	180.0°	179.9°
C2	C3	C4	C5	0.0°	0.1°
C2	C3	C4	H4	180.0°	179.9°
C3	C2	C8	C9	25.6°	90.1°
C3	C2	C8	H81	94.4°	148.0°
C3	C2	C8	H82	143.1°	31.9°
C8	C2	C3	C4	179.3°	180.0°
C8	C2	C3	H3	0.7°	0.1°
C2	C8	C9	H81	120.0°	122.6°
C2	C8	C9	H82	117.4°	122.6°
C2	C8	H81	H82	117.7°	119.1°
C2	C8	C9	H91	36.6°	60.1°
C2	C8	C9	H92	83.4°	180.0°
C2	C8	C9	H93	156.6°	59.9°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C6	0.1°	0.1°
C3	C4	C5	H5	179.9°	180.0°
H3	C3	C4	C5	180.0°	180.0°
H3	C3	C4	H4	0.0°	0.0°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	H6	179.9°	179.9°
H4	C4	C5	C6	179.9°	179.9°
H4	C4	C5	H5	0.1°	0.0°
H5	C5	C6	H6	0.2°	0.0°
N1	C7	O1	O2	145.3°	179.9°
N1	C7	O2	C10	90.0°	180.0°
HN1	N1	C7	O1	176.9°	180.0°
HN1	N1	C7	O2	71.1°	0.0°
O1	C7	O2	C10	90.0°	0.0°
C7	O2	C10	C11	90.0°	90.0°
C7	O2	C10	C18	90.0°	90.6°
C9	C8	H81	H82	117.7°	117.2°
C8	C9	H91	H92	120.0°	121.5°
C8	C9	H91	H93	120.0°	121.9°
C8	C9	H92	H93	120.0°	121.9°
H81	C8	C9	H91	156.6°	177.3°
H81	C8	C9	H92	36.7°	57.4°
H81	C8	C9	H93	83.3°	62.7°
H82	C8	C9	H91	80.8°	62.5°
H82	C8	C9	H92	159.2°	57.4°
H82	C8	C9	H93	39.2°	177.5°
H91	C9	H92	H93	120.0°	116.4°
O2	C10	C11	C18	90.0°	179.4°
O2	C10	C11	C12	90.0°	180.0°
O2	C10	C11	H11	90.0°	0.2°
O2	C10	C18	C17	90.0°	179.9°
O2	C10	C18	H18	90.0°	1.0°
C10	C11	C12	H11	90.0°	179.8°
C10	C11	C12	C13	90.0°	0.3°
C10	C11	C12	H12	90.0°	179.5°
C11	C10	C18	C17	90.0°	0.5°
C11	C10	C18	H18	90.0°	178.4°
C18	C10	C11	C12	90.0°	0.6°
C18	C10	C11	H11	90.0°	179.6°
C10	C18	C17	C13	90.0°	0.4°
C10	C18	C17	C16	90.0°	175.0°
C10	C18	C17	H18	90.0°	178.9°
C11	C12	C13	H12	90.0°	179.1°
C11	C12	C13	N2	90.0°	177.6°
C11	C12	C13	C17	90.0°	1.2°
H11	C11	C12	C13	90.0°	179.5°
H11	C11	C12	H12	90.0°	0.4°
C12	C13	N2	C17	90.0°	178.9°
C12	C13	N2	C14	90.0°	17.8°
C12	C13	N2	C15	90.0°	156.4°
C12	C13	C17	C16	90.0°	175.0°
C12	C13	C17	C18	90.0°	1.3°
H12	C12	C13	N2	90.0°	1.5°
H12	C12	C13	C17	90.0°	179.7°
C13	N2	C14	C15	90.0°	128.4°
C13	N2	C14	H141	90.0°	5.2°
C13	N2	C14	H142	90.0°	114.7°
C13	N2	C14	H143	90.0°	125.3°
C13	N2	C15	C16	90.0°	42.3°
C13	N2	C15	N3	90.0°	164.1°
C13	N2	C15	H15	90.0°	75.0°
N2	C13	C17	C16	90.0°	6.0°
N2	C13	C17	C18	90.0°	177.7°
C17	C13	N2	C14	90.0°	161.1°
C17	C13	N2	C15	90.0°	22.5°
C13	C17	C16	C15	90.0°	29.5°
C13	C17	C16	C18	90.0°	175.9°
C13	C17	C16	C19	90.0°	91.1°
C13	C17	C16	C20	90.0°	133.9°
C13	C17	C18	H18	90.0°	179.3°
N2	C14	H141	H142	90.0°	120.9°
N2	C14	H141	H143	90.0°	120.9°
N2	C14	H142	H143	90.0°	121.0°
C14	N2	C15	C16	90.0°	179.2°
C14	N2	C15	N3	90.0°	59.0°
C14	N2	C15	H15	90.0°	61.9°
C15	N2	C14	H141	90.0°	133.7°
C15	N2	C14	H142	90.0°	13.7°
C15	N2	C14	H143	90.0°	106.3°
N2	C15	C16	N3	90.0°	134.5°
N2	C15	C16	H15	90.0°	115.4°
N2	C15	N3	H15	90.0°	122.6°
N2	C15	C16	C17	90.0°	44.7°
N2	C15	C16	C19	90.0°	67.9°
N2	C15	C16	C20	90.0°	174.0°
N2	C15	N3	C21	90.0°	158.6°
N2	C15	N3	O3	90.0°	38.9°
N2	C15	N3	C22	90.0°	83.7°
H141	C14	H142	H143	90.0°	118.3°
C16	C15	N3	H15	90.0°	115.1°
C15	C16	C17	C19	90.0°	120.6°
C15	C16	C17	C20	90.0°	104.4°
C15	C16	C19	C20	90.0°	111.1°
C15	C16	C17	C18	90.0°	154.6°
C15	C16	C19	H191	90.0°	143.8°
C15	C16	C19	H192	90.0°	96.2°
C15	C16	C19	H193	90.0°	23.8°
C15	C16	C20	C21	90.0°	43.8°
C15	C16	C20	H201	90.0°	73.8°
C15	C16	C20	H202	90.0°	164.6°
C16	C15	N3	C21	90.0°	36.3°
C16	C15	N3	O3	90.0°	83.3°
C16	C15	N3	C22	90.0°	154.0°
N3	C15	C16	C17	90.0°	179.2°
N3	C15	C16	C19	90.0°	66.6°
N3	C15	C16	C20	90.0°	51.5°
C15	N3	C21	C20	90.0°	7.8°
C15	N3	C21	O3	90.0°	119.4°
C15	N3	C21	C22	90.0°	119.3°
C15	N3	C21	H211	90.0°	128.7°
C15	N3	C21	H212	90.0°	112.8°
C15	N3	O3	C22	90.0°	124.7°
C15	N3	C22	H221	90.0°	27.5°
C15	N3	C22	H222	90.0°	92.4°
C15	N3	C22	H223	90.0°	147.6°
H15	C15	C16	C17	90.0°	70.6°
H15	C15	C16	C19	90.0°	176.7°
H15	C15	C16	C20	90.0°	58.6°
H15	C15	N3	C21	90.0°	78.8°
H15	C15	N3	O3	90.0°	161.5°
H15	C15	N3	C22	90.0°	38.9°
C17	C16	C19	C20	90.0°	143.2°
C16	C17	C18	H18	90.0°	3.9°
C17	C16	C19	H191	90.0°	38.2°
C17	C16	C19	H192	90.0°	158.2°
C17	C16	C19	H193	90.0°	81.8°
C17	C16	C20	C21	90.0°	146.9°
C17	C16	C20	H201	90.0°	29.3°
C17	C16	C20	H202	90.0°	92.3°
C19	C16	C17	C18	90.0°	84.7°
C16	C19	H191	H192	90.0°	121.3°
C16	C19	H191	H193	90.0°	121.4°
C16	C19	H192	H193	90.0°	121.4°
C19	C16	C20	C21	90.0°	79.2°
C19	C16	C20	H201	90.0°	163.1°
C19	C16	C20	H202	90.0°	41.5°
C20	C16	C17	C18	90.0°	50.2°
C20	C16	C19	H191	90.0°	105.0°
C20	C16	C19	H192	90.0°	14.9°
C20	C16	C19	H193	90.0°	134.9°
C16	C20	C21	H201	90.0°	118.6°
C16	C20	C21	H202	90.0°	122.1°
C16	C20	H201	H202	90.0°	125.2°
C16	C20	C21	N3	90.0°	23.6°
C16	C20	C21	H211	90.0°	93.5°
C16	C20	C21	H212	90.0°	142.7°
H191	C19	H192	H193	90.0°	117.3°
C21	C20	H201	H202	90.0°	122.0°
C20	C21	N3	H211	90.0°	120.8°
C20	C21	N3	H212	90.0°	120.6°
C20	C21	H211	H212	90.0°	124.6°
C20	C21	N3	O3	90.0°	111.5°
C20	C21	N3	C22	90.0°	127.1°
H201	C20	C21	N3	90.0°	95.0°
H201	C20	C21	H211	90.0°	147.9°
H201	C20	C21	H212	90.0°	24.1°
H202	C20	C21	N3	90.0°	145.7°
H202	C20	C21	H211	90.0°	28.6°
H202	C20	C21	H212	90.0°	95.2°
N3	C21	H211	H212	90.0°	118.0°
C21	N3	O3	C22	90.0°	122.1°
C21	N3	C22	H221	90.0°	84.9°
C21	N3	C22	H222	90.0°	155.1°
C21	N3	C22	H223	90.0°	35.1°
H211	C21	N3	O3	90.0°	9.3°
H211	C21	N3	C22	90.0°	112.0°
H212	C21	N3	O3	90.0°	127.8°
H212	C21	N3	C22	90.0°	6.5°
O3	N3	C22	H221	90.0°	151.8°
O3	N3	C22	H222	90.0°	31.8°
O3	N3	C22	H223	90.0°	88.2°
N3	C22	H221	H222	90.0°	117.9°
N3	C22	H221	H223	90.0°	117.9°
N3	C22	H222	H223	90.0°	117.9°
H221	C22	H222	H223	90.0°	124.2°

Definition date:	2005-10-27
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB