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Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9	C8	sing	1.53Å	1.52Å
C8	C10	sing	1.53Å	1.51Å
C8	N1	sing	1.47Å	1.50Å
N1	C7	sing	1.46Å	1.42Å
N1	S	sing	1.66Å	1.59Å
O	S	doub	1.42Å	1.33Å
S	O1	doub	1.42Å	1.34Å
S	N	sing	1.66Å	1.56Å
C	C1	sing	1.51Å	1.43Å
C6	C1	doub	1.38Å	1.39Å	Aromatic
C6	C5	sing	1.39Å	1.35Å	Aromatic
C1	C2	sing	1.38Å	1.35Å	Aromatic
N	C5	sing	1.40Å	1.36Å
C5	C4	doub	1.39Å	1.41Å	Aromatic
C2	C3	doub	1.38Å	1.35Å	Aromatic
C4	C3	sing	1.39Å	1.39Å	Aromatic
C4	O2	sing	1.36Å	1.30Å
O2	H1	sing	0.97Å	0.95Å
C7	H2	sing	1.09Å	1.10Å
C7	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.09Å	1.10Å
C9	H6	sing	1.09Å	1.10Å
C9	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å
C6	H9	sing	1.08Å	1.08Å
C3	H10	sing	1.08Å	1.08Å
C2	H11	sing	1.08Å	1.08Å
C10	H12	sing	1.09Å	1.10Å
C10	H13	sing	1.09Å	1.10Å
C10	H14	sing	1.09Å	1.10Å
N	H15	sing	0.97Å	1.00Å
C	H16	sing	1.09Å	1.10Å
C	H17	sing	1.09Å	1.10Å
C	H18	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	C8	C10	107.6°	109.4°
C9	C8	N1	117.1°	109.5°
C9	C8	H5	103.3°	109.5°
C8	C9	H6	109.5°	109.5°
C8	C9	H7	109.5°	109.5°
C8	C9	H8	109.4°	109.5°
C10	C8	N1	119.5°	109.5°
C10	C8	H5	103.4°	109.4°
C8	C10	H12	109.5°	109.5°
C8	C10	H13	109.5°	109.5°
C8	C10	H14	109.5°	109.5°
C8	N1	C7	114.9°	120.0°
C8	N1	S	130.1°	120.0°
N1	C8	H5	103.6°	109.5°
C7	N1	S	115.0°	120.0°
N1	C7	H2	109.5°	109.5°
N1	C7	H3	109.4°	109.5°
N1	C7	H4	109.5°	109.5°
N1	S	O	109.3°	106.5°
N1	S	O1	109.2°	106.4°
N1	S	N	106.1°	107.2°
O	S	O1	122.0°	123.1°
O	S	N	109.3°	106.4°
O1	S	N	99.6°	106.4°
S	N	C5	122.7°	120.0°
S	N	H15	106.1°	120.0°
C	C1	C6	117.6°	119.9°
C	C1	C2	117.9°	119.9°
C1	C	H16	109.5°	109.5°
C1	C	H17	109.5°	109.4°
C1	C	H18	109.5°	109.4°
C1	C6	C5	120.0°	119.9°
C6	C1	C2	124.1°	120.2°
C1	C6	H9	120.0°	120.0°
C6	C5	N	121.8°	120.0°
C6	C5	C4	114.9°	119.8°
C5	C6	H9	120.0°	120.0°
C1	C2	C3	118.4°	120.2°
C1	C2	H11	120.8°	119.9°
N	C5	C4	123.2°	120.1°
C5	N	H15	106.1°	120.0°
C5	C4	C3	124.4°	119.9°
C5	C4	O2	113.9°	120.0°
C2	C3	C4	118.1°	120.0°
C2	C3	H10	121.0°	120.0°
C3	C2	H11	120.8°	119.9°
C3	C4	O2	121.4°	120.1°
C4	C3	H10	120.9°	120.0°
C4	O2	H1	109.5°	114.0°
H2	C7	H3	109.5°	109.5°
H2	C7	H4	109.5°	109.4°
H3	C7	H4	109.5°	109.4°
H6	C9	H7	109.5°	109.4°
H6	C9	H8	109.5°	109.5°
H7	C9	H8	109.5°	109.4°
H12	C10	H13	109.4°	109.4°
H12	C10	H14	109.5°	109.5°
H13	C10	H14	109.5°	109.5°
H16	C	H17	109.4°	109.5°
H16	C	H18	109.4°	109.5°
H17	C	H18	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	C8	C10	N1	136.7°	120.0°
C9	C8	C10	H5	108.9°	120.0°
C9	C8	N1	H5	112.9°	120.1°
C9	C8	N1	C7	96.2°	60.0°
C9	C8	N1	S	83.0°	120.0°
C8	C9	H6	H7	120.0°	120.0°
C8	C9	H6	H8	120.0°	120.1°
C8	C9	H7	H8	120.0°	120.0°
C9	C8	C10	H12	180.0°	60.0°
C9	C8	C10	H13	60.0°	180.0°
C9	C8	C10	H14	60.0°	60.0°
C10	C8	N1	H5	114.3°	119.9°
C10	C8	N1	C7	131.0°	60.0°
C10	C8	N1	S	49.8°	120.0°
C10	C8	C9	H6	180.0°	60.0°
C10	C8	C9	H7	60.0°	180.0°
C10	C8	C9	H8	60.0°	60.0°
C8	C10	H12	H13	120.0°	120.0°
C8	C10	H12	H14	120.0°	120.1°
C8	C10	H13	H14	120.0°	120.0°
C8	N1	C7	S	179.4°	180.0°
C8	N1	S	O	11.7°	156.5°
C8	N1	S	O1	124.2°	23.6°
C8	N1	S	N	129.3°	90.0°
C8	N1	C7	H2	180.0°	90.1°
C8	N1	C7	H3	60.0°	30.0°
C8	N1	C7	H4	60.0°	150.0°
N1	C8	C9	H6	42.1°	180.0°
N1	C8	C9	H7	78.0°	60.0°
N1	C8	C9	H8	162.1°	60.0°
N1	C8	C10	H12	43.3°	60.0°
N1	C8	C10	H13	163.3°	59.9°
N1	C8	C10	H14	76.7°	180.0°
C7	N1	S	O	169.1°	23.5°
C7	N1	S	O1	55.1°	156.5°
C7	N1	S	N	51.4°	90.0°
N1	C7	H2	H3	120.0°	120.1°
N1	C7	H2	H4	120.0°	120.0°
N1	C7	H3	H4	120.0°	120.0°
C7	N1	C8	H5	16.7°	180.0°
N1	S	O	O1	129.1°	123.0°
N1	S	O	N	115.6°	114.1°
N1	S	O1	N	110.8°	114.1°
N1	S	N	C5	60.8°	60.3°
S	N1	C7	H2	0.6°	90.0°
S	N1	C7	H3	119.4°	150.0°
S	N1	C7	H4	120.7°	30.0°
S	N1	C8	H5	164.1°	0.1°
N1	S	N	H15	177.4°	119.7°
O	S	O1	N	120.0°	122.9°
O	S	N	C5	56.9°	173.9°
O	S	N	H15	64.9°	6.1°
O1	S	N	C5	174.1°	53.3°
O1	S	N	H15	64.1°	126.8°
S	N	C5	C6	19.7°	35.6°
S	N	C5	H15	121.8°	179.9°
S	N	C5	C4	156.8°	144.4°
C	C1	C6	C2	172.6°	179.7°
C	C1	C6	C5	168.8°	179.7°
C	C1	C2	C3	168.9°	179.7°
C	C1	C6	H9	11.2°	0.4°
C	C1	C2	H11	11.1°	0.3°
C1	C	H16	H17	120.0°	119.9°
C1	C	H16	H18	120.0°	120.0°
C1	C	H17	H18	120.0°	119.9°
C1	C6	C5	H9	180.0°	179.9°
C1	C6	C5	N	178.4°	179.9°
C1	C6	C5	C4	1.7°	0.0°
C6	C1	C2	C3	3.7°	0.0°
C6	C1	C2	H11	176.3°	180.0°
C6	C1	C	H16	86.6°	89.7°
C6	C1	C	H17	153.5°	30.3°
C6	C1	C	H18	33.4°	150.3°
C5	C6	C1	C2	3.8°	0.0°
C6	C5	N	C4	176.5°	180.0°
C6	C5	C4	C3	0.3°	0.0°
C6	C5	C4	O2	174.0°	180.0°
C6	C5	N	H15	102.1°	144.4°
C1	C2	C3	H11	180.0°	180.0°
C1	C2	C3	C4	1.6°	0.0°
C2	C1	C6	H9	176.2°	179.9°
C1	C2	C3	H10	178.4°	180.0°
C2	C1	C	H16	86.5°	90.0°
C2	C1	C	H17	33.5°	150.0°
C2	C1	C	H18	153.5°	30.1°
N	C5	C4	C3	176.4°	180.0°
N	C5	C4	O2	2.7°	0.1°
N	C5	C6	H9	1.6°	0.0°
C5	C4	C3	C2	0.3°	0.1°
C5	C4	C3	O2	173.3°	180.0°
C5	C4	O2	H1	180.0°	90.0°
C4	C5	C6	H9	178.3°	179.9°
C5	C4	C3	H10	179.7°	180.0°
C4	C5	N	H15	81.4°	35.5°
C2	C3	C4	H10	180.0°	179.9°
C2	C3	C4	O2	173.6°	180.0°
C3	C4	O2	H1	6.0°	89.9°
C4	C3	C2	H11	178.4°	180.0°
O2	C4	C3	H10	6.4°	0.1°
H2	C7	H3	H4	120.0°	119.9°
H5	C8	C9	H6	71.0°	59.9°
H5	C8	C9	H7	169.0°	60.0°
H5	C8	C9	H8	49.0°	180.0°
H5	C8	C10	H12	71.0°	180.0°
H5	C8	C10	H13	48.9°	60.0°
H5	C8	C10	H14	168.9°	60.0°
H6	C9	H7	H8	120.0°	120.0°
H10	C3	C2	H11	1.6°	0.0°
H12	C10	H13	H14	120.0°	120.0°
H16	C	H17	H18	119.9°	120.1°

Release date:	2022-11-02
Definition date:	2022-10-06
Last modified:	2022-10-28
Release status:	REL
Processing site:	RCSB
Derived from:	7FKG