84Z

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL1	C1	sing	1.74Å	1.74Å
O9	S7	doub	1.42Å	1.54Å
C21	C20	doub	1.38Å	1.42Å	Aromatic
C21	C22	sing	1.38Å	1.37Å	Aromatic
C1	C2	doub	1.39Å	1.42Å	Aromatic
C1	C6	sing	1.38Å	1.41Å	Aromatic
C20	C19	sing	1.38Å	1.37Å	Aromatic
C2	C3	sing	1.38Å	1.39Å	Aromatic
O8	S7	doub	1.42Å	1.54Å
C22	C23	doub	1.38Å	1.39Å	Aromatic
S7	C6	sing	1.76Å	1.74Å
S7	N10	sing	1.66Å	1.77Å
C6	C5	doub	1.38Å	1.42Å	Aromatic
O17	S16	doub	1.42Å	1.47Å
C19	S16	sing	1.76Å	1.72Å
C19	C24	doub	1.38Å	1.39Å	Aromatic
C3	S16	sing	1.76Å	1.79Å
C3	C4	doub	1.40Å	1.41Å	Aromatic
C23	C24	sing	1.38Å	1.42Å	Aromatic
C5	C4	sing	1.40Å	1.41Å	Aromatic
S16	O18	doub	1.42Å	1.48Å
C4	C12	sing	1.48Å	1.50Å
O14	C12	sing	1.35Å	1.35Å
O14	C15	sing	1.45Å	1.38Å
C12	O13	doub	1.22Å	1.16Å
C24	H1	sing	1.08Å	1.08Å
C23	H2	sing	1.08Å	1.08Å
C22	H3	sing	1.08Å	1.08Å
C21	H4	sing	1.08Å	1.08Å
C20	H5	sing	1.08Å	1.08Å
C2	H6	sing	1.08Å	1.08Å
C15	H7	sing	1.09Å	1.10Å
C15	H8	sing	1.09Å	1.10Å
C15	H9	sing	1.09Å	1.10Å
C5	H10	sing	1.08Å	1.08Å
N10	H11	sing	0.97Å	1.00Å
N10	H12	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL1	C1	C2	113.3°	119.8°
CL1	C1	C6	121.0°	119.8°
O9	S7	O8	102.5°	123.1°
O9	S7	C6	113.1°	106.4°
O9	S7	N10	104.9°	106.4°
C20	C21	C22	123.9°	120.0°
C21	C20	C19	116.4°	120.0°
C20	C21	H4	118.1°	120.0°
C21	C20	H5	121.8°	120.0°
C21	C22	C23	120.0°	120.0°
C21	C22	H3	120.0°	120.0°
C22	C21	H4	118.1°	120.0°
C2	C1	C6	125.7°	120.3°
C1	C2	C3	115.4°	120.1°
C1	C2	H6	122.3°	120.0°
C1	C6	S7	123.0°	120.0°
C1	C6	C5	113.0°	120.1°
C20	C19	S16	114.7°	120.1°
C20	C19	C24	120.1°	119.9°
C19	C20	H5	121.8°	120.0°
C2	C3	S16	115.1°	120.1°
C2	C3	C4	124.6°	119.8°
C3	C2	H6	122.3°	119.9°
O8	S7	C6	113.1°	106.4°
O8	S7	N10	104.9°	106.4°
C22	C23	C24	116.4°	120.0°
C22	C23	H2	121.8°	119.9°
C23	C22	H3	120.0°	120.0°
C6	S7	N10	117.0°	107.2°
S7	C6	C5	121.2°	119.9°
S7	N10	H11	109.5°	120.0°
S7	N10	H12	109.5°	120.0°
C6	C5	C4	125.3°	119.8°
C6	C5	H10	117.3°	120.1°
O17	S16	C19	108.9°	106.4°
O17	S16	C3	107.6°	106.4°
O17	S16	O18	116.9°	123.1°
S16	C19	C24	125.1°	120.0°
C19	S16	C3	115.1°	107.3°
C19	S16	O18	103.5°	106.4°
C19	C24	C23	122.9°	120.0°
C19	C24	H1	118.5°	120.0°
S16	C3	C4	120.3°	120.1°
C3	S16	O18	105.1°	106.4°
C3	C4	C5	114.8°	119.8°
C3	C4	C12	130.0°	120.1°
C23	C24	H1	118.5°	120.0°
C24	C23	H2	121.8°	120.0°
C5	C4	C12	115.2°	120.1°
C4	C5	H10	117.3°	120.1°
C4	C12	O14	109.8°	120.1°
C4	C12	O13	130.6°	120.0°
C12	O14	C15	124.2°	117.0°
O14	C12	O13	118.5°	120.0°
O14	C15	H7	109.5°	109.5°
O14	C15	H8	109.5°	109.5°
O14	C15	H9	109.5°	109.4°
H7	C15	H8	109.4°	109.5°
H7	C15	H9	109.5°	109.5°
H8	C15	H9	109.5°	109.5°
H11	N10	H12	109.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL1	C1	C2	C6	179.2°	179.9°
CL1	C1	C2	C3	179.3°	180.0°
CL1	C1	C6	S7	16.8°	0.0°
CL1	C1	C6	C5	177.8°	179.7°
CL1	C1	C2	H6	0.7°	0.0°
O9	S7	C6	C1	73.8°	178.8°
O9	S7	O8	C6	122.0°	123.0°
O9	S7	O8	N10	109.3°	122.9°
O9	S7	C6	N10	122.1°	113.5°
O9	S7	C6	C5	126.7°	1.5°
O9	S7	N10	H11	180.0°	96.4°
O9	S7	N10	H12	60.0°	83.6°
C20	C21	C22	H4	180.0°	179.4°
C21	C20	C19	H5	180.0°	179.3°
C20	C21	C22	C23	6.5°	0.3°
C21	C20	C19	S16	179.3°	179.6°
C21	C20	C19	C24	3.6°	0.7°
C20	C21	C22	H3	173.5°	179.7°
C22	C21	C20	C19	6.9°	0.7°
C21	C22	C23	H3	180.0°	180.0°
C21	C22	C23	C24	2.8°	0.0°
C21	C22	C23	H2	177.2°	180.0°
C22	C21	C20	H5	173.2°	180.0°
C1	C2	C3	H6	180.0°	180.0°
C2	C1	C6	S7	164.1°	180.0°
C2	C1	C6	C5	3.1°	0.3°
C1	C2	C3	S16	175.1°	179.9°
C1	C2	C3	C4	3.7°	0.2°
C6	C1	C2	C3	0.1°	0.0°
C1	C6	S7	O8	42.1°	48.3°
C1	C6	S7	C5	159.4°	179.7°
C1	C6	S7	N10	164.1°	65.3°
C1	C6	C5	C4	10.3°	0.3°
C6	C1	C2	H6	179.9°	180.0°
C1	C6	C5	H10	169.7°	179.7°
C20	C19	S16	O17	51.9°	134.3°
C20	C19	S16	C24	176.9°	179.7°
C20	C19	S16	C3	69.0°	112.1°
C20	C19	C24	C23	0.4°	0.3°
C20	C19	S16	O18	176.9°	1.4°
C20	C19	C24	H1	179.6°	179.7°
C19	C20	C21	H4	173.1°	180.0°
C2	C3	S16	O17	27.2°	2.9°
C2	C3	S16	C19	94.4°	116.5°
C2	C3	S16	C4	178.8°	179.7°
C2	C3	C4	C5	9.9°	0.2°
C2	C3	S16	O18	152.4°	130.0°
C2	C3	C4	C12	170.0°	179.7°
O8	S7	C6	N10	122.0°	113.6°
O8	S7	C6	C5	117.4°	131.4°
O8	S7	N10	H11	72.4°	36.5°
O8	S7	N10	H12	167.6°	143.6°
C22	C23	C24	C19	0.2°	0.0°
C22	C23	C24	H2	180.0°	180.0°
C22	C23	C24	H1	179.8°	180.0°
C23	C22	C21	H4	173.5°	179.7°
S7	C6	C5	C4	171.7°	180.0°
S7	C6	C5	H10	8.3°	0.0°
C6	S7	N10	H11	53.8°	150.0°
C6	S7	N10	H12	66.2°	30.0°
N10	S7	C6	C5	4.7°	115.0°
S7	N10	H11	H12	120.0°	180.0°
C6	C5	C4	C3	13.6°	0.0°
C6	C5	C4	H10	180.0°	180.0°
C6	C5	C4	C12	166.4°	180.0°
O17	S16	C19	C3	120.9°	113.6°
O17	S16	C19	O18	125.0°	132.9°
O17	S16	C19	C24	131.1°	45.4°
O17	S16	C3	O18	125.2°	132.9°
O17	S16	C3	C4	151.6°	176.8°
C19	S16	C3	O18	113.2°	113.5°
C19	S16	C3	C4	86.7°	63.2°
S16	C19	C24	C23	177.1°	180.0°
S16	C19	C24	H1	2.9°	0.0°
S16	C19	C20	H5	0.7°	0.3°
C24	C19	S16	C3	107.9°	68.2°
C19	C24	C23	H1	180.0°	179.9°
C24	C19	S16	O18	6.1°	178.3°
C19	C24	C23	H2	179.8°	180.0°
C24	C19	C20	H5	176.4°	180.0°
S16	C3	C4	C5	168.8°	179.9°
S16	C3	C4	C12	11.2°	0.0°
S16	C3	C2	H6	4.9°	0.1°
C3	C4	C5	C12	179.9°	180.0°
C4	C3	S16	O18	26.4°	50.3°
C3	C4	C12	O14	48.9°	174.1°
C3	C4	C12	O13	143.8°	6.0°
C4	C3	C2	H6	176.3°	179.8°
C3	C4	C5	H10	166.4°	180.0°
C24	C23	C22	H3	177.2°	180.0°
C5	C4	C12	O14	131.0°	5.9°
C5	C4	C12	O13	36.3°	174.1°
C4	C12	O14	O13	169.0°	180.0°
C4	C12	O14	C15	175.7°	180.0°
C12	C4	C5	H10	13.7°	0.0°
C12	O14	C15	H7	180.0°	60.0°
C12	O14	C15	H8	60.0°	180.0°
C12	O14	C15	H9	60.0°	60.0°
C15	O14	C12	O13	6.7°	0.0°
O14	C15	H7	H8	120.0°	120.0°
O14	C15	H7	H9	120.0°	120.0°
O14	C15	H8	H9	120.0°	120.0°
H1	C24	C23	H2	0.2°	0.0°
H2	C23	C22	H3	2.8°	0.0°
H3	C22	C21	H4	6.5°	0.3°
H4	C21	C20	H5	6.8°	0.7°
H7	C15	H8	H9	120.0°	120.0°

Release date:	2022-01-12
Definition date:	2021-10-01
Last modified:	2022-08-22
Release status:	REL
Processing site:	PDBE
Derived from:	7PUV