HG0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C6	C1	sing	1.53Å	1.53Å
C5	C1	sing	1.53Å	1.42Å
C1	C2	sing	1.51Å	1.52Å
O1	S1	doub	1.42Å	1.45Å
C2	C4	doub	1.38Å	1.38Å	Aromatic
C2	C3	sing	1.38Å	1.38Å	Aromatic
C4	C9	sing	1.38Å	1.39Å	Aromatic
C10	S1	sing	1.81Å	1.80Å
S1	C3	sing	1.76Å	1.82Å
S1	O2	doub	1.42Å	1.46Å
C3	C7	doub	1.38Å	1.38Å	Aromatic
C9	C8	doub	1.40Å	1.38Å	Aromatic
C7	C8	sing	1.39Å	1.38Å	Aromatic
C8	C11	sing	1.48Å	1.53Å
O3	C11	doub	1.22Å	1.19Å
C11	N1	sing	1.34Å	1.45Å
N3	C12	sing	1.36Å	1.24Å
N1	C12	doub	1.32Å	1.44Å
C12	N2	sing	1.36Å	1.24Å
C1	H1	sing	1.09Å	1.10Å
C10	H2	sing	1.09Å	1.10Å
C10	H3	sing	1.09Å	1.10Å
C10	H4	sing	1.09Å	1.10Å
C4	H5	sing	1.08Å	1.08Å
C5	H6	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
C6	H10	sing	1.09Å	1.10Å
C6	H11	sing	1.09Å	1.10Å
C7	H12	sing	1.08Å	1.08Å
C9	H13	sing	1.08Å	1.08Å
N2	H15	sing	0.97Å	1.00Å
N2	H16	sing	0.97Å	1.00Å
N3	H17	sing	0.97Å	1.00Å
N3	H18	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	C1	C5	99.5°	109.5°
C6	C1	C2	106.1°	109.5°
C6	C1	H1	111.2°	109.5°
C1	C6	H9	109.5°	109.4°
C1	C6	H10	109.5°	109.5°
C1	C6	H11	109.4°	109.5°
C5	C1	C2	115.0°	109.5°
C5	C1	H1	113.0°	109.5°
C1	C5	H6	109.5°	109.5°
C1	C5	H7	109.5°	109.4°
C1	C5	H8	109.5°	109.5°
C1	C2	C4	119.2°	119.9°
C1	C2	C3	121.8°	119.9°
C2	C1	H1	111.3°	109.5°
O1	S1	C10	105.8°	110.5°
O1	S1	C3	114.9°	104.3°
O1	S1	O2	94.5°	121.0°
C4	C2	C3	119.0°	120.2°
C2	C4	C9	122.1°	120.2°
C2	C4	H5	118.9°	119.9°
C2	C3	S1	124.5°	119.9°
C2	C3	C7	118.1°	120.1°
C4	C9	C8	118.9°	119.8°
C9	C4	H5	118.9°	120.0°
C4	C9	H13	120.6°	120.1°
C10	S1	C3	111.9°	104.5°
C10	S1	O2	117.6°	110.5°
S1	C10	H2	109.5°	109.5°
S1	C10	H3	109.5°	109.4°
S1	C10	H4	109.5°	109.5°
C3	S1	O2	111.0°	104.3°
S1	C3	C7	117.4°	120.0°
C3	C7	C8	123.4°	119.9°
C3	C7	H12	118.3°	120.1°
C9	C8	C7	118.5°	119.7°
C9	C8	C11	123.4°	120.1°
C8	C9	H13	120.6°	120.0°
C7	C8	C11	118.1°	120.2°
C8	C7	H12	118.3°	120.0°
C8	C11	O3	116.9°	120.0°
C8	C11	N1	126.6°	120.0°
O3	C11	N1	116.4°	120.0°
C11	N1	C12	125.6°	120.1°
N3	C12	N1	121.7°	120.1°
N3	C12	N2	120.2°	120.0°
C12	N3	H17	120.0°	120.1°
C12	N3	H18	120.0°	120.0°
N1	C12	N2	118.2°	119.9°
C12	N2	H15	120.0°	120.0°
C12	N2	H16	120.0°	120.0°
H2	C10	H3	109.4°	109.5°
H2	C10	H4	109.4°	109.5°
H3	C10	H4	109.5°	109.5°
H6	C5	H7	109.5°	109.5°
H6	C5	H8	109.5°	109.5°
H7	C5	H8	109.5°	109.5°
H9	C6	H10	109.5°	109.4°
H9	C6	H11	109.5°	109.5°
H10	C6	H11	109.5°	109.5°
H15	N2	H16	120.0°	120.0°
H17	N3	H18	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C6	C1	C5	C2	112.8°	120.0°
C6	C1	C5	H1	118.0°	120.0°
C6	C1	C2	H1	121.1°	120.0°
C6	C1	C2	C4	101.3°	60.0°
C6	C1	C2	C3	77.4°	119.7°
C6	C1	C5	H6	180.0°	60.0°
C6	C1	C5	H7	60.0°	60.0°
C6	C1	C5	H8	60.0°	180.0°
C1	C6	H9	H10	120.0°	119.9°
C1	C6	H9	H11	120.0°	120.0°
C1	C6	H10	H11	120.0°	120.0°
C5	C1	C2	H1	130.1°	120.0°
C5	C1	C2	C4	7.6°	60.0°
C5	C1	C2	C3	173.7°	120.3°
C1	C5	H6	H7	120.0°	120.0°
C1	C5	H6	H8	120.0°	120.0°
C1	C5	H7	H8	120.0°	120.0°
C5	C1	C6	H9	180.0°	180.0°
C5	C1	C6	H10	60.0°	60.1°
C5	C1	C6	H11	60.0°	60.0°
C1	C2	C4	C3	178.8°	179.7°
C1	C2	C4	C9	179.3°	180.0°
C1	C2	C3	S1	1.0°	0.0°
C1	C2	C3	C7	179.2°	180.0°
C1	C2	C4	H5	0.7°	0.0°
C2	C1	C5	H6	67.2°	60.0°
C2	C1	C5	H7	172.8°	180.0°
C2	C1	C5	H8	52.8°	60.0°
C2	C1	C6	H9	60.4°	60.0°
C2	C1	C6	H10	59.6°	179.9°
C2	C1	C6	H11	179.6°	60.0°
O1	S1	C3	C2	4.7°	178.9°
O1	S1	C10	C3	125.8°	111.6°
O1	S1	C10	O2	103.9°	136.7°
O1	S1	C3	O2	105.7°	127.9°
O1	S1	C3	C7	175.4°	1.1°
O1	S1	C10	H2	180.0°	51.7°
O1	S1	C10	H3	60.0°	171.7°
O1	S1	C10	H4	60.0°	68.4°
C2	C4	C9	H5	180.0°	180.0°
C4	C2	C3	S1	179.7°	179.8°
C4	C2	C3	C7	0.4°	0.2°
C2	C4	C9	C8	0.0°	0.0°
C4	C2	C1	H1	137.6°	180.0°
C2	C4	C9	H13	180.0°	180.0°
C3	C2	C4	C9	0.5°	0.2°
C2	C3	S1	C10	125.4°	65.0°
C2	C3	S1	C7	179.9°	180.0°
C2	C3	S1	O2	101.0°	51.1°
C2	C3	C7	C8	0.1°	0.0°
C3	C2	C1	H1	43.6°	0.3°
C3	C2	C4	H5	179.5°	179.7°
C2	C3	C7	H12	179.9°	180.0°
C4	C9	C8	H13	180.0°	180.0°
C4	C9	C8	C7	0.6°	0.3°
C4	C9	C8	C11	178.5°	180.0°
C10	S1	C3	O2	133.6°	116.1°
C10	S1	C3	C7	54.7°	115.0°
S1	C10	H2	H3	120.0°	120.0°
S1	C10	H2	H4	120.0°	120.0°
S1	C10	H3	H4	120.0°	120.0°
S1	C3	C7	C8	179.7°	180.0°
C3	S1	C10	H2	54.1°	59.9°
C3	S1	C10	H3	65.8°	60.0°
C3	S1	C10	H4	174.1°	180.0°
S1	C3	C7	H12	0.3°	0.0°
O2	S1	C3	C7	78.9°	129.0°
O2	S1	C10	H2	76.1°	171.6°
O2	S1	C10	H3	163.9°	51.6°
O2	S1	C10	H4	43.8°	68.3°
C3	C7	C8	C9	0.6°	0.3°
C3	C7	C8	H12	180.0°	180.0°
C3	C7	C8	C11	178.7°	180.0°
C9	C8	C7	C11	178.0°	179.7°
C9	C8	C11	O3	102.6°	179.8°
C9	C8	C11	N1	78.6°	0.3°
C8	C9	C4	H5	180.0°	180.0°
C9	C8	C7	H12	179.4°	179.8°
C7	C8	C11	O3	75.3°	0.1°
C7	C8	C11	N1	103.5°	180.0°
C7	C8	C9	H13	179.4°	179.7°
C8	C11	O3	N1	178.9°	179.9°
C8	C11	N1	C12	1.1°	122.1°
C11	C8	C7	H12	1.3°	0.1°
C11	C8	C9	H13	1.5°	0.0°
O3	C11	N1	C12	179.9°	57.9°
C11	N1	C12	N3	0.3°	174.1°
C11	N1	C12	N2	179.5°	5.9°
N3	C12	N1	N2	179.8°	180.0°
N3	C12	N2	H15	179.8°	173.5°
N3	C12	N2	H16	0.2°	6.5°
C12	N3	H17	H18	180.0°	179.9°
N1	C12	N2	H15	0.0°	6.5°
N1	C12	N2	H16	180.0°	173.5°
N1	C12	N3	H17	179.8°	180.0°
N1	C12	N3	H18	0.2°	0.1°
C12	N2	H15	H16	180.0°	180.0°
N2	C12	N3	H17	0.0°	0.1°
N2	C12	N3	H18	180.0°	180.0°
H1	C1	C5	H6	62.0°	180.0°
H1	C1	C5	H7	58.0°	60.0°
H1	C1	C5	H8	178.0°	60.0°
H1	C1	C6	H9	60.7°	60.0°
H1	C1	C6	H10	179.3°	60.0°
H1	C1	C6	H11	59.3°	180.0°
H2	C10	H3	H4	119.9°	120.0°
H5	C4	C9	H13	0.0°	0.0°
H6	C5	H7	H8	120.0°	120.0°
H9	C6	H10	H11	120.0°	120.0°

Release date:	2021-06-23
Definition date:	2021-01-07
Last modified:	2021-06-18
Release status:	REL
Processing site:	PDBJ
Derived from:	7DSX