G6L

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N3	C7	sing	1.39Å	1.41Å
S	C7	sing	1.71Å	1.60Å	Aromatic
S	C1	sing	1.76Å	1.59Å	Aromatic
C10	C9	sing	1.53Å	1.52Å
C7	N1	doub	1.29Å	1.35Å	Aromatic
C9	C8	sing	1.53Å	1.53Å
C1	C3	sing	1.51Å	1.50Å
C1	C2	doub	1.34Å	1.38Å	Aromatic
C3	C5	sing	1.53Å	1.55Å
N1	C2	sing	1.33Å	1.35Å	Aromatic
C2	C4	sing	1.52Å	1.50Å
C5	N2	sing	1.47Å	1.47Å
C5	C6	sing	1.53Å	1.55Å
C8	N2	sing	1.47Å	1.47Å
C4	C6	sing	1.53Å	1.54Å
C10	H1	sing	1.09Å	1.10Å
C10	H2	sing	1.09Å	1.10Å
C10	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C4	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
C8	H11	sing	1.09Å	1.10Å
C8	H12	sing	1.09Å	1.10Å
C9	H13	sing	1.09Å	1.10Å
C9	H14	sing	1.09Å	1.10Å
N2	H15	sing	1.01Å	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)
N3	C7	S	124.2°	125.0°
N3	C7	N1	125.2°	125.0°
C7	N3	H17	109.5°	120.0°
C7	N3	H18	109.5°	120.1°
C7	S	C1	96.7°	90.4°
S	C7	N1	110.6°	110.1°
S	C1	C3	126.1°	126.1°
S	C1	C2	108.5°	108.7°
C10	C9	C8	112.9°	109.5°
C9	C10	H1	109.5°	109.5°
C9	C10	H2	109.5°	109.5°
C9	C10	H3	109.4°	109.5°
C10	C9	H13	108.6°	109.5°
C10	C9	H14	108.6°	109.5°
C7	N1	C2	111.3°	117.6°
C9	C8	N2	109.6°	109.5°
C9	C8	H11	109.4°	109.5°
C9	C8	H12	109.4°	109.5°
C8	C9	H13	108.6°	109.5°
C8	C9	H14	108.6°	109.5°
C3	C1	C2	125.3°	125.2°
C1	C3	C5	112.3°	108.6°
C1	C3	H4	108.8°	109.6°
C1	C3	H5	108.8°	109.6°
C1	C2	N1	113.0°	113.3°
C1	C2	C4	122.3°	122.7°
C3	C5	N2	108.5°	109.6°
C3	C5	C6	112.2°	108.9°
C5	C3	H4	108.7°	109.6°
C5	C3	H5	108.8°	109.6°
C3	C5	H8	108.4°	109.5°
N1	C2	C4	124.8°	124.0°
C2	C4	C6	110.3°	108.7°
C2	C4	H6	109.3°	109.6°
C2	C4	H7	109.3°	109.6°
N2	C5	C6	109.8°	109.6°
C5	N2	C8	114.4°	111.0°
N2	C5	H8	109.4°	109.6°
C5	N2	H15	108.2°	111.0°
C5	C6	C4	112.0°	109.4°
C6	C5	H8	108.4°	109.6°
C5	C6	H9	108.8°	109.5°
C5	C6	H10	108.8°	109.4°
N2	C8	H11	109.4°	109.5°
N2	C8	H12	109.4°	109.5°
C8	N2	H15	108.2°	111.0°
C6	C4	H6	109.3°	109.5°
C6	C4	H7	109.3°	109.6°
C4	C6	H9	108.8°	109.5°
C4	C6	H10	108.8°	109.5°
H1	C10	H2	109.5°	109.5°
H1	C10	H3	109.4°	109.5°
H2	C10	H3	109.5°	109.5°
H4	C3	H5	109.5°	109.7°
H6	C4	H7	109.4°	109.7°
H9	C6	H10	109.5°	109.5°
H11	C8	H12	109.5°	109.5°
H13	C9	H14	109.4°	109.5°
H17	N3	H18	109.4°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N3	C7	S	N1	180.0°	179.7°
N3	C7	S	C1	180.0°	179.9°
N3	C7	N1	C2	179.9°	180.0°
C7	N3	H17	H18	120.0°	180.0°
C7	S	C1	C3	179.9°	180.0°
C7	S	C1	C2	0.0°	0.3°
S	C7	N1	C2	0.1°	0.3°
S	C7	N3	H17	0.0°	179.8°
S	C7	N3	H18	120.0°	0.3°
C1	S	C7	N1	0.0°	0.3°
S	C1	C3	C2	180.0°	179.7°
S	C1	C3	C5	173.4°	163.6°
S	C1	C2	N1	0.1°	0.2°
S	C1	C2	C4	179.8°	179.7°
S	C1	C3	H4	53.0°	43.8°
S	C1	C3	H5	66.2°	76.7°
C10	C9	C8	H13	120.5°	120.0°
C10	C9	C8	H14	120.5°	120.0°
C10	C9	C8	N2	171.9°	180.0°
C9	C10	H1	H2	120.1°	120.0°
C9	C10	H1	H3	120.0°	120.0°
C9	C10	H2	H3	120.0°	120.0°
C10	C9	C8	H11	51.9°	60.0°
C10	C9	C8	H12	68.0°	60.0°
C10	C9	H13	H14	118.4°	120.0°
C7	N1	C2	C1	0.1°	0.0°
C7	N1	C2	C4	179.9°	180.0°
N1	C7	N3	H17	180.0°	0.1°
N1	C7	N3	H18	60.0°	180.0°
C9	C8	N2	C5	68.9°	180.0°
C9	C8	N2	H11	120.0°	120.0°
C9	C8	N2	H12	120.0°	120.0°
C8	C9	C10	H1	180.0°	60.0°
C8	C9	C10	H2	60.0°	60.0°
C8	C9	C10	H3	60.0°	180.0°
C9	C8	H11	H12	119.9°	120.0°
C8	C9	H13	H14	118.4°	120.0°
C9	C8	N2	H15	51.8°	56.1°
C1	C3	C5	H4	120.4°	119.8°
C1	C3	C5	H5	120.4°	119.8°
C3	C1	C2	N1	179.9°	179.9°
C3	C1	C2	C4	0.1°	0.0°
C1	C3	C5	N2	156.2°	169.1°
C1	C3	C5	C6	34.8°	49.3°
C1	C3	H4	H5	118.7°	120.4°
C1	C3	C5	H8	85.0°	70.6°
C2	C1	C3	C5	6.6°	16.1°
C1	C2	N1	C4	179.8°	179.9°
C1	C2	C4	C6	21.9°	17.6°
C2	C1	C3	H4	127.0°	135.9°
C2	C1	C3	H5	113.8°	103.6°
C1	C2	C4	H6	142.1°	137.3°
C1	C2	C4	H7	98.2°	102.3°
C3	C5	N2	C6	122.9°	119.5°
C3	C5	N2	H8	118.2°	120.2°
C3	C5	C6	H8	119.7°	119.8°
C3	C5	N2	C8	125.6°	85.0°
C3	C5	C6	C4	58.3°	70.3°
C5	C3	H4	H5	118.7°	120.4°
C3	C5	C6	H9	178.7°	49.7°
C3	C5	C6	H10	62.0°	169.7°
C3	C5	N2	H15	4.9°	39.0°
N1	C2	C4	C6	158.3°	162.5°
N1	C2	C4	H6	38.2°	42.8°
N1	C2	C4	H7	81.6°	77.7°
C2	C4	C6	C5	50.1°	51.2°
C2	C4	C6	H6	120.1°	119.8°
C2	C4	C6	H7	120.1°	119.8°
C2	C4	H6	H7	119.6°	120.4°
C2	C4	C6	H9	170.5°	68.8°
C2	C4	C6	H10	70.3°	171.1°
N2	C5	C6	H8	119.5°	120.3°
C5	N2	C8	H15	120.7°	123.9°
N2	C5	C6	C4	179.1°	169.8°
N2	C5	C3	H4	83.3°	71.1°
N2	C5	C3	H5	35.8°	49.4°
N2	C5	C6	H9	60.6°	70.2°
N2	C5	C6	H10	58.7°	49.9°
C5	N2	C8	H11	51.1°	60.0°
C5	N2	C8	H12	171.1°	60.0°
C6	C5	N2	C8	111.4°	155.5°
C5	C6	C4	H9	120.4°	120.0°
C5	C6	C4	H10	120.4°	119.9°
C6	C5	C3	H4	155.2°	169.1°
C6	C5	C3	H5	85.6°	70.5°
C5	C6	C4	H6	170.2°	171.0°
C5	C6	C4	H7	70.1°	68.6°
C5	C6	H9	H10	118.8°	120.0°
C6	C5	N2	H15	127.9°	80.5°
C8	N2	C5	H8	7.5°	35.2°
N2	C8	H11	H12	119.9°	120.0°
N2	C8	C9	H13	67.6°	60.0°
N2	C8	C9	H14	51.4°	60.0°
C6	C4	H6	H7	119.6°	120.4°
C4	C6	C5	H8	61.4°	49.5°
C4	C6	H9	H10	118.8°	120.0°
H1	C10	H2	H3	119.9°	120.0°
H1	C10	C9	H13	59.5°	60.0°
H1	C10	C9	H14	59.5°	180.0°
H2	C10	C9	H13	60.6°	180.0°
H2	C10	C9	H14	179.5°	60.0°
H3	C10	C9	H13	179.5°	60.0°
H3	C10	C9	H14	60.5°	60.0°
H4	C3	C5	H8	35.5°	49.2°
H5	C3	C5	H8	154.6°	169.6°
H6	C4	C6	H9	69.4°	50.9°
H6	C4	C6	H10	49.8°	69.1°
H7	C4	C6	H9	50.3°	171.4°
H7	C4	C6	H10	169.6°	51.3°
H8	C5	C6	H9	59.0°	169.5°
H8	C5	C6	H10	178.2°	70.5°
H8	C5	N2	H15	113.2°	159.1°
H11	C8	C9	H13	172.4°	180.0°
H11	C8	C9	H14	68.6°	60.0°
H11	C8	N2	H15	171.9°	63.9°
H12	C8	C9	H13	52.5°	60.0°
H12	C8	C9	H14	171.4°	180.0°
H12	C8	N2	H15	68.2°	176.1°

Release date:	2021-03-10
Definition date:	2020-07-31
Last modified:	2021-03-05
Release status:	REL
Processing site:	PDBJ
Derived from:	7CMU