Q1M

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O06	S05	doub	1.42Å	1.44Å
CL7	C16	sing	1.74Å	1.72Å
O19	S05	doub	1.42Å	1.45Å
S05	C04	sing	1.76Å	1.78Å
S05	N07	sing	1.66Å	1.69Å
C18	C16	doub	1.39Å	1.39Å	Aromatic
C18	C08	sing	1.39Å	1.39Å	Aromatic
BR1	C02	sing	1.89Å	1.88Å
C03	C04	doub	1.38Å	1.40Å	Aromatic
C03	C02	sing	1.38Å	1.39Å	Aromatic
C16	C15	sing	1.38Å	1.40Å	Aromatic
C04	C20	sing	1.39Å	1.39Å	Aromatic
N07	C08	sing	1.40Å	1.43Å
C02	C24	doub	1.38Å	1.39Å	Aromatic
C08	C09	doub	1.39Å	1.39Å	Aromatic
C15	C11	doub	1.40Å	1.40Å	Aromatic
C20	O21	sing	1.36Å	1.35Å
C20	C23	doub	1.39Å	1.40Å	Aromatic
C24	C23	sing	1.38Å	1.40Å	Aromatic
O21	C22	sing	1.43Å	1.42Å
C09	C11	sing	1.40Å	1.39Å	Aromatic
C09	O10	sing	1.36Å	1.37Å
C11	C12	sing	1.47Å	1.48Å
C12	O13	doub	1.21Å	1.35Å
C12	O14	sing	1.35Å	1.21Å
C18	H1	sing	1.08Å	1.08Å
C15	H2	sing	1.08Å	1.08Å
C22	H3	sing	1.09Å	1.10Å
C22	H4	sing	1.09Å	1.10Å
C22	H5	sing	1.09Å	1.10Å
C23	H6	sing	1.08Å	1.08Å
C24	H7	sing	1.08Å	1.08Å
C03	H8	sing	1.08Å	1.08Å
N07	H9	sing	0.97Å	1.00Å
O10	H10	sing	0.97Å	0.95Å
O14	H11	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O06	S05	O19	117.2°	123.1°
O06	S05	C04	109.4°	106.4°
O06	S05	N07	109.8°	106.4°
CL7	C16	C18	117.7°	119.8°
CL7	C16	C15	120.5°	119.8°
O19	S05	C04	107.5°	106.4°
O19	S05	N07	107.6°	106.4°
C04	S05	N07	104.5°	107.2°
S05	C04	C03	117.1°	120.0°
S05	C04	C20	122.3°	120.1°
S05	N07	C08	119.8°	120.0°
S05	N07	H9	106.8°	120.0°
C16	C18	C08	118.8°	120.3°
C18	C16	C15	121.8°	120.3°
C16	C18	H1	120.6°	119.9°
C18	C08	N07	122.5°	120.0°
C18	C08	C09	120.0°	120.0°
C08	C18	H1	120.6°	119.8°
BR1	C02	C03	118.8°	120.0°
BR1	C02	C24	120.1°	120.0°
C04	C03	C02	119.3°	120.1°
C03	C04	C20	120.6°	119.9°
C04	C03	H8	120.4°	120.0°
C03	C02	C24	121.1°	120.1°
C02	C03	H8	120.3°	119.9°
C16	C15	C11	118.7°	120.0°
C16	C15	H2	120.7°	120.0°
C04	C20	O21	116.3°	120.0°
C04	C20	C23	118.9°	119.9°
N07	C08	C09	117.5°	120.0°
C08	N07	H9	106.8°	119.9°
C02	C24	C23	118.8°	120.1°
C02	C24	H7	120.6°	120.0°
C08	C09	C11	121.3°	119.6°
C08	C09	O10	118.1°	120.2°
C15	C11	C09	119.4°	119.7°
C15	C11	C12	121.8°	120.2°
C11	C15	H2	120.7°	120.0°
O21	C20	C23	124.7°	120.0°
C20	O21	C22	117.8°	117.0°
C20	C23	C24	121.2°	119.9°
C20	C23	H6	119.4°	120.0°
C24	C23	H6	119.4°	120.0°
C23	C24	H7	120.6°	119.9°
O21	C22	H3	109.5°	109.5°
O21	C22	H4	109.5°	109.5°
O21	C22	H5	109.5°	109.5°
C11	C09	O10	120.6°	120.2°
C09	C11	C12	118.7°	120.1°
C09	O10	H10	109.5°	113.9°
C11	C12	O13	113.6°	120.0°
C11	C12	O14	123.3°	120.0°
O13	C12	O14	123.0°	120.0°
C12	O14	H11	109.5°	117.0°
H3	C22	H4	109.4°	109.5°
H3	C22	H5	109.5°	109.4°
H4	C22	H5	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O06	S05	O19	C04	123.7°	122.9°
O06	S05	O19	N07	124.2°	123.0°
O06	S05	C04	N07	117.5°	113.6°
O06	S05	C04	C03	2.5°	2.8°
O06	S05	C04	C20	178.0°	177.7°
O06	S05	N07	C08	43.6°	45.7°
O06	S05	N07	H9	77.9°	134.3°
CL7	C16	C18	C15	179.4°	179.9°
CL7	C16	C18	C08	178.6°	180.0°
CL7	C16	C15	C11	178.3°	180.0°
CL7	C16	C18	H1	1.4°	0.3°
CL7	C16	C15	H2	1.7°	0.0°
O19	S05	C04	N07	114.2°	113.5°
O19	S05	C04	C03	125.9°	130.1°
O19	S05	C04	C20	53.7°	49.4°
O19	S05	N07	C08	172.2°	178.7°
O19	S05	N07	H9	50.7°	1.4°
S05	C04	C03	C20	179.6°	179.5°
S05	C04	C03	C02	179.8°	180.0°
C04	S05	N07	C08	73.7°	67.8°
S05	C04	C20	O21	0.2°	0.3°
S05	C04	C20	C23	179.8°	180.0°
S05	C04	C03	H8	0.2°	0.4°
C04	S05	N07	H9	164.9°	112.2°
S05	N07	C08	C18	67.7°	35.4°
N07	S05	C04	C03	120.0°	116.3°
N07	S05	C04	C20	60.5°	64.1°
S05	N07	C08	H9	121.5°	180.0°
S05	N07	C08	C09	113.7°	144.5°
C16	C18	C08	H1	180.0°	179.7°
C16	C18	C08	N07	178.9°	180.0°
C16	C18	C08	C09	0.4°	0.1°
C18	C16	C15	C11	1.1°	0.0°
C18	C16	C15	H2	178.9°	179.9°
C08	C18	C16	C15	0.8°	0.1°
C18	C08	N07	C09	178.6°	179.9°
C18	C08	C09	C11	0.3°	0.0°
C18	C08	C09	O10	179.7°	180.0°
C18	C08	N07	H9	53.8°	144.6°
BR1	C02	C03	C04	179.3°	179.8°
BR1	C02	C03	C24	179.1°	180.0°
BR1	C02	C24	C23	179.7°	180.0°
BR1	C02	C24	H7	0.3°	0.0°
BR1	C02	C03	H8	0.7°	0.2°
C04	C03	C02	H8	180.0°	179.6°
C04	C03	C02	C24	0.2°	0.2°
C03	C04	C20	O21	179.3°	179.8°
C03	C04	C20	C23	0.3°	0.5°
C02	C03	C04	C20	0.2°	0.4°
C03	C02	C24	C23	0.5°	0.1°
C03	C02	C24	H7	179.4°	180.0°
C16	C15	C11	H2	180.0°	179.9°
C16	C15	C11	C09	0.9°	0.0°
C16	C15	C11	C12	179.6°	179.9°
C15	C16	C18	H1	179.2°	179.7°
C04	C20	O21	C23	179.5°	179.7°
C04	C20	C23	C24	0.1°	0.3°
C04	C20	O21	C22	174.0°	179.7°
C04	C20	C23	H6	179.9°	179.8°
C20	C04	C03	H8	179.7°	180.0°
N07	C08	C09	C11	178.9°	180.0°
N07	C08	C09	O10	1.6°	0.0°
N07	C08	C18	H1	1.0°	0.3°
C02	C24	C23	C20	0.5°	0.0°
C02	C24	C23	H7	180.0°	180.0°
C02	C24	C23	H6	179.5°	179.9°
C24	C02	C03	H8	179.8°	179.8°
C08	C09	C11	C15	0.5°	0.0°
C08	C09	C11	O10	179.5°	180.0°
C08	C09	C11	C12	180.0°	179.9°
C09	C08	C18	H1	179.6°	179.7°
C09	C08	N07	H9	124.8°	35.5°
C08	C09	O10	H10	180.0°	90.0°
C15	C11	C09	C12	179.5°	179.9°
C15	C11	C09	O10	180.0°	180.0°
C15	C11	C12	O13	9.6°	180.0°
C15	C11	C12	O14	172.0°	0.0°
O21	C20	C23	C24	179.6°	180.0°
C20	O21	C22	H3	180.0°	60.1°
C20	O21	C22	H4	60.0°	60.0°
C20	O21	C22	H5	60.0°	180.0°
O21	C20	C23	H6	0.3°	0.1°
C20	C23	C24	H6	180.0°	180.0°
C23	C20	O21	C22	6.4°	0.0°
C20	C23	C24	H7	179.5°	180.0°
O21	C22	H3	H4	120.0°	120.1°
O21	C22	H3	H5	120.0°	120.0°
O21	C22	H4	H5	120.0°	120.0°
C09	C11	C12	O13	169.9°	0.0°
C09	C11	C12	O14	8.5°	180.0°
C09	C11	C15	H2	179.1°	179.9°
C11	C09	O10	H10	0.5°	90.0°
O10	C09	C11	C12	0.5°	0.0°
C11	C12	O13	O14	178.4°	180.0°
C12	C11	C15	H2	0.4°	0.1°
C11	C12	O14	H11	178.2°	180.0°
O13	C12	O14	H11	0.0°	0.1°
H3	C22	H4	H5	120.0°	119.9°
H6	C23	C24	H7	0.5°	0.0°

Release date:	2019-12-04
Definition date:	2019-09-06
Last modified:	2019-11-29
Release status:	REL
Processing site:	RCSB
Derived from:	6U8B