9BZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C14	C12	sing	1.53Å	1.54Å
C15	C12	sing	1.53Å	1.54Å
C12	S13	sing	1.84Å	1.78Å
C12	C08	sing	1.55Å	1.53Å
O11	C09	doub	1.21Å	1.25Å
S13	C06	sing	1.84Å	1.75Å
C08	C09	sing	1.51Å	1.51Å
C08	N07	sing	1.46Å	1.47Å
C09	O10	sing	1.34Å	1.25Å
N07	C06	sing	1.48Å	1.45Å
N07	C03	sing	1.48Å	1.42Å
C06	C05	sing	1.55Å	1.54Å
C05	S04	sing	1.84Å	1.75Å
C03	S04	sing	1.83Å	1.76Å
C03	C02	sing	1.53Å	1.54Å
C02	S01	sing	1.81Å	1.78Å
O10	H1	sing	0.97Å	0.95Å
C08	H2	sing	1.09Å	1.10Å
C03	H4	sing	1.09Å	1.10Å
C02	H5	sing	1.09Å	1.10Å
C02	H6	sing	1.09Å	1.10Å
S01	H7	sing	1.34Å	1.30Å
C05	H8	sing	1.09Å	1.10Å
C05	H9	sing	1.09Å	1.10Å
C06	H10	sing	1.09Å	1.10Å
C15	H11	sing	1.09Å	1.10Å
C15	H12	sing	1.09Å	1.10Å
C15	H13	sing	1.09Å	1.10Å
C14	H14	sing	1.09Å	1.10Å
C14	H15	sing	1.09Å	1.10Å
C14	H16	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C14	C12	C15	111.1°	111.0°
C14	C12	S13	113.4°	111.1°
C14	C12	C08	106.0°	111.1°
C12	C14	H14	109.5°	109.5°
C12	C14	H15	109.5°	109.5°
C12	C14	H16	109.5°	109.5°
C15	C12	S13	109.2°	111.1°
C15	C12	C08	110.8°	111.0°
C12	C15	H11	109.5°	109.5°
C12	C15	H12	109.5°	109.5°
C12	C15	H13	109.4°	109.4°
S13	C12	C08	106.1°	101.2°
C12	S13	C06	100.5°	94.2°
C12	C08	C09	112.0°	108.8°
C12	C08	N07	107.2°	113.0°
C12	C08	H2	106.3°	108.7°
O11	C09	C08	116.6°	120.0°
O11	C09	O10	122.2°	120.0°
S13	C06	N07	101.3°	103.6°
S13	C06	C05	115.4°	108.3°
S13	C06	H10	109.3°	112.3°
C09	C08	N07	117.3°	108.8°
C08	C09	O10	121.2°	120.0°
C09	C08	H2	106.5°	108.7°
C08	N07	C06	122.5°	115.2°
C08	N07	C03	120.9°	110.2°
N07	C08	H2	106.9°	108.8°
C09	O10	H1	109.5°	117.1°
C06	N07	C03	116.4°	113.9°
N07	C06	C05	104.6°	109.1°
N07	C06	H10	113.6°	111.7°
N07	C03	S04	101.0°	105.2°
N07	C03	C02	99.7°	110.2°
N07	C03	H4	115.1°	110.3°
C06	C05	S04	104.4°	99.5°
C06	C05	H8	110.7°	111.4°
C06	C05	H9	110.7°	111.5°
C05	C06	H10	112.2°	111.5°
C05	S04	C03	99.3°	94.9°
S04	C05	H8	110.7°	111.4°
S04	C05	H9	110.7°	111.4°
S04	C03	C02	117.2°	110.3°
S04	C03	H4	110.0°	110.3°
C03	C02	S01	110.3°	109.5°
C02	C03	H4	113.0°	110.3°
C03	C02	H5	109.3°	109.4°
C03	C02	H6	109.3°	109.5°
S01	C02	H5	109.2°	109.5°
S01	C02	H6	109.2°	109.5°
C02	S01	H7	102.0°	103.0°
H5	C02	H6	109.5°	109.5°
H8	C05	H9	109.5°	111.1°
H11	C15	H12	109.5°	109.5°
H11	C15	H13	109.5°	109.5°
H12	C15	H13	109.5°	109.4°
H14	C14	H15	109.5°	109.5°
H14	C14	H16	109.5°	109.5°
H15	C14	H16	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C14	C12	C15	S13	125.8°	124.1°
C14	C12	C15	C08	117.6°	124.1°
C14	C12	S13	C08	116.0°	118.0°
C14	C12	S13	C06	129.6°	85.7°
C14	C12	C08	C09	101.3°	147.1°
C14	C12	C08	N07	128.7°	91.9°
C14	C12	C08	H2	14.6°	28.8°
C14	C12	C15	H11	180.0°	177.4°
C14	C12	C15	H12	60.0°	57.3°
C14	C12	C15	H13	60.0°	62.6°
C12	C14	H14	H15	120.0°	120.0°
C12	C14	H14	H16	120.0°	120.0°
C12	C14	H15	H16	120.0°	120.0°
C15	C12	S13	C08	119.5°	117.9°
C15	C12	S13	C06	105.9°	150.3°
C15	C12	C08	C09	19.3°	23.1°
C15	C12	C08	N07	110.6°	144.0°
C15	C12	C08	H2	135.3°	95.2°
C12	C15	H11	H12	120.0°	120.1°
C12	C15	H11	H13	120.0°	119.9°
C12	C15	H12	H13	120.0°	119.9°
C15	C12	C14	H14	180.0°	72.3°
C15	C12	C14	H15	60.0°	47.7°
C15	C12	C14	H16	60.0°	167.7°
S13	C12	C08	C09	137.8°	94.9°
S13	C12	C08	N07	7.9°	26.1°
C12	S13	C06	N07	14.3°	30.9°
C12	S13	C06	C05	126.6°	84.9°
S13	C12	C08	H2	106.2°	146.9°
C12	S13	C06	H10	105.9°	151.5°
S13	C12	C15	H11	54.2°	58.5°
S13	C12	C15	H12	174.2°	178.6°
S13	C12	C15	H13	65.8°	61.5°
S13	C12	C14	H14	56.5°	51.8°
S13	C12	C14	H15	63.5°	171.8°
S13	C12	C14	H16	176.5°	68.2°
C12	C08	C09	O11	90.9°	104.9°
C08	C12	S13	C06	13.7°	32.3°
C12	C08	C09	N07	124.5°	123.5°
C12	C08	C09	H2	115.8°	118.2°
C12	C08	N07	H2	113.7°	120.7°
C12	C08	C09	O10	88.9°	75.4°
C12	C08	N07	C06	3.0°	4.4°
C12	C08	N07	C03	171.8°	126.2°
C08	C12	C15	H11	62.4°	53.3°
C08	C12	C15	H12	57.6°	66.8°
C08	C12	C15	H13	177.6°	173.3°
C08	C12	C14	H14	59.5°	163.6°
C08	C12	C14	H15	179.5°	76.4°
C08	C12	C14	H16	60.5°	43.6°
O11	C09	C08	O10	179.7°	179.7°
O11	C09	C08	N07	144.6°	18.6°
O11	C09	O10	H1	0.0°	0.0°
O11	C09	C08	H2	25.0°	136.9°
S13	C06	N07	C08	12.1°	19.9°
S13	C06	N07	C05	120.2°	115.2°
S13	C06	N07	H10	117.1°	121.0°
S13	C06	N07	C03	162.9°	148.7°
S13	C06	C05	H10	126.1°	124.1°
S13	C06	C05	S04	136.7°	154.3°
S13	C06	C05	H8	104.1°	36.8°
S13	C06	C05	H9	17.5°	88.1°
C09	C08	N07	H2	119.4°	118.3°
C09	C08	N07	C06	123.9°	116.5°
C09	C08	N07	C03	61.3°	112.9°
C08	C09	O10	H1	179.7°	179.7°
N07	C08	C09	O10	35.7°	161.1°
C08	N07	C06	C03	175.0°	128.8°
C08	N07	C06	C05	132.4°	95.3°
C08	N07	C03	S04	139.7°	125.0°
C08	N07	C03	C02	99.9°	116.0°
C08	N07	C03	H4	21.3°	6.1°
C08	N07	C06	H10	104.9°	140.9°
O10	C09	C08	H2	155.3°	42.8°
N07	C06	C05	H10	123.6°	123.8°
N07	C06	C05	S04	26.3°	42.2°
C06	N07	C03	S04	35.4°	6.2°
C06	N07	C03	C02	85.0°	112.7°
C06	N07	C08	H2	116.7°	125.2°
C06	N07	C03	H4	153.8°	125.2°
N07	C06	C05	H8	145.5°	75.3°
N07	C06	C05	H9	92.8°	159.9°
C03	N07	C06	C05	42.6°	33.5°
N07	C03	S04	C05	13.9°	17.5°
N07	C03	S04	C02	107.1°	118.9°
N07	C03	S04	H4	122.0°	118.9°
N07	C03	C02	H4	122.7°	122.0°
N07	C03	C02	S01	146.3°	60.1°
C03	N07	C08	H2	58.1°	5.5°
N07	C03	C02	H5	93.6°	180.0°
N07	C03	C02	H6	26.2°	60.0°
C03	N07	C06	H10	80.1°	90.3°
C06	C05	S04	H8	119.2°	117.6°
C06	C05	S04	H9	119.2°	117.7°
C06	C05	S04	C03	7.5°	33.7°
C06	C05	H8	H9	122.4°	125.0°
C05	S04	C03	C02	93.2°	136.4°
C05	S04	C03	H4	135.9°	101.4°
S04	C05	H8	H9	122.3°	124.8°
S04	C05	C06	H10	97.2°	81.6°
S04	C03	C02	H4	129.5°	122.1°
S04	C03	C02	S01	38.5°	55.7°
S04	C03	C02	H5	158.6°	64.2°
S04	C03	C02	H6	81.7°	175.8°
C03	S04	C05	H8	126.7°	83.9°
C03	S04	C05	H9	111.7°	151.4°
C03	C02	S01	H5	120.1°	119.9°
C03	C02	S01	H6	120.1°	120.0°
C03	C02	H5	H6	119.7°	120.0°
C03	C02	S01	H7	180.0°	180.0°
S01	C02	C03	H4	91.1°	177.9°
S01	C02	H5	H6	119.6°	120.1°
H4	C03	C02	H5	29.1°	57.9°
H4	C03	C02	H6	148.8°	62.1°
H5	C02	S01	H7	59.8°	60.1°
H6	C02	S01	H7	59.9°	60.0°
H8	C05	C06	H10	22.0°	160.8°
H9	C05	C06	H10	143.6°	36.0°
H11	C15	H12	H13	120.0°	120.0°
H14	C14	H15	H16	120.0°	120.0°

Release date:	2016-06-01
Definition date:	2015-11-20
Last modified:	2021-03-01
Release status:	REL
Processing site:	EBI
Derived from:	5EWA