93Z

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O12	C2	sing	1.43Å	1.44Å
O14	S13	doub	1.42Å	1.48Å
C1	C2	sing	1.53Å	1.53Å
C1	C6	sing	1.53Å	1.52Å
C2	C3	sing	1.53Å	1.53Å
O7	S13	sing	1.52Å	1.58Å
O7	C6	sing	1.43Å	1.45Å
S13	O15	doub	1.42Å	1.50Å
S13	O16	sing	1.52Å	1.49Å
C6	C5	sing	1.53Å	1.54Å
C3	O11	sing	1.43Å	1.44Å
C3	C4	sing	1.53Å	1.53Å
C5	C4	sing	1.53Å	1.54Å
C5	C8	sing	1.53Å	1.54Å
C4	O10	sing	1.43Å	1.43Å
C8	O9	sing	1.43Å	1.42Å
C4	H1	sing	1.09Å	1.10Å
C5	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
O9	H10	sing	0.97Å	0.95Å
O10	H11	sing	0.97Å	0.95Å
O11	H12	sing	0.97Å	0.95Å
O12	H13	sing	0.97Å	0.95Å
C1	O1	sing	1.43Å	1.43Å
O16	H7	sing	0.97Å	0.95Å
O1	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O12	C2	C1	109.7°	109.4°
O12	C2	C3	111.2°	109.5°
O12	C2	H5	107.4°	109.5°
C2	O12	H13	109.5°	113.9°
O14	S13	O7	102.6°	106.4°
O14	S13	O15	112.9°	123.2°
O14	S13	O16	113.9°	106.4°
C2	C1	C6	118.0°	109.5°
C1	C2	C3	115.5°	109.5°
C1	C2	H5	106.3°	109.4°
C2	C1	H6	107.7°	109.5°
C2	C1	O1	112.7°	109.5°
C1	C6	O7	110.1°	109.5°
C1	C6	C5	116.3°	109.4°
C1	C6	H3	106.0°	109.5°
C6	C1	H6	107.8°	109.5°
C6	C1	O1	101.3°	109.4°
C2	C3	O11	107.3°	109.5°
C2	C3	C4	108.9°	109.5°
C2	C3	H4	109.3°	109.5°
C3	C2	H5	106.3°	109.5°
S13	O7	C6	116.7°	114.0°
O7	S13	O15	113.8°	106.4°
O7	S13	O16	107.5°	107.2°
O7	C6	C5	111.2°	109.5°
O7	C6	H3	106.9°	109.5°
O15	S13	O16	106.1°	106.4°
S13	O16	H7	109.5°	114.0°
C6	C5	C4	113.5°	109.5°
C6	C5	C8	111.3°	109.5°
C6	C5	H2	106.2°	109.5°
C5	C6	H3	105.7°	109.4°
O11	C3	C4	111.6°	109.4°
O11	C3	H4	110.5°	109.5°
C3	O11	H12	109.5°	114.0°
C3	C4	C5	108.1°	109.4°
C3	C4	O10	110.4°	109.5°
C3	C4	H1	109.2°	109.5°
C4	C3	H4	109.3°	109.5°
C4	C5	C8	112.8°	109.4°
C5	C4	O10	109.3°	109.5°
C5	C4	H1	109.1°	109.5°
C4	C5	H2	106.2°	109.5°
C5	C8	O9	113.7°	109.5°
C8	C5	H2	106.3°	109.5°
C5	C8	H8	108.4°	109.5°
C5	C8	H9	108.4°	109.5°
O10	C4	H1	110.7°	109.5°
C4	O10	H11	109.5°	114.0°
O9	C8	H8	108.4°	109.5°
O9	C8	H9	108.4°	109.4°
C8	O9	H10	109.5°	114.1°
H6	C1	O1	109.0°	109.4°
H8	C8	H9	109.5°	109.4°
C1	O1	H14	109.5°	113.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O12	C2	C1	C3	126.6°	120.0°
O12	C2	C1	H5	115.8°	120.0°
O12	C2	C1	C6	115.3°	180.0°
O12	C2	C3	H5	116.6°	120.0°
O12	C2	C3	O11	75.6°	60.0°
O12	C2	C3	C4	163.5°	180.0°
O12	C2	C3	H4	44.2°	60.0°
O12	C2	C1	H6	6.9°	60.0°
O12	C2	C1	O1	127.2°	60.0°
O14	S13	O7	O15	122.3°	132.9°
O14	S13	O7	O16	120.4°	113.5°
O14	S13	O7	C6	144.4°	171.5°
O14	S13	O15	O16	125.4°	123.0°
O14	S13	O16	H7	124.9°	66.5°
C2	C1	C6	H6	122.1°	120.0°
C2	C1	C6	O1	123.5°	120.0°
C1	C2	C3	H5	117.6°	120.0°
C2	C1	C6	O7	98.3°	180.0°
C2	C1	C6	C5	29.3°	60.0°
C1	C2	C3	O11	158.5°	180.0°
C1	C2	C3	C4	37.6°	60.0°
C2	C1	C6	H3	146.5°	60.0°
C1	C2	C3	H4	81.7°	60.0°
C2	C1	H6	O1	122.6°	120.0°
C1	C2	O12	H13	180.0°	180.0°
C2	C1	O1	H14	180.0°	60.0°
C6	C1	C2	C3	11.4°	60.0°
C1	C6	O7	S13	139.6°	95.0°
C1	C6	O7	C5	130.4°	120.0°
C1	C6	O7	H3	114.7°	120.0°
C1	C6	C5	H3	117.3°	119.9°
C1	C6	C5	C4	3.2°	60.0°
C1	C6	C5	C8	131.6°	179.9°
C1	C6	C5	H2	113.1°	60.0°
C6	C1	C2	H5	128.9°	60.0°
C6	C1	H6	O1	109.1°	119.9°
C6	C1	O1	H14	52.9°	179.9°
C2	C3	O11	C4	119.2°	120.0°
C2	C3	O11	H4	119.0°	120.0°
C2	C3	C4	H4	119.3°	120.0°
C2	C3	C4	C5	69.9°	60.0°
C2	C3	C4	O10	170.6°	180.0°
C2	C3	C4	H1	48.7°	60.0°
C3	C2	C1	H6	133.5°	60.0°
C2	C3	O11	H12	180.0°	60.0°
C3	C2	O12	H13	51.0°	60.0°
C3	C2	C1	O1	106.2°	180.0°
O7	S13	O15	O16	118.1°	114.1°
S13	O7	C6	C5	90.0°	145.0°
S13	O7	C6	H3	24.9°	25.0°
O7	S13	O16	H7	122.2°	180.0°
C6	O7	S13	O15	22.1°	38.5°
C6	O7	S13	O16	95.2°	75.0°
O7	C6	C5	H3	115.6°	120.0°
O7	C6	C5	C4	130.3°	180.0°
O7	C6	C5	C8	101.3°	60.0°
O7	C6	C5	H2	13.9°	60.0°
O7	C6	C1	H6	23.8°	60.0°
O7	C6	C1	O1	138.2°	60.0°
O15	S13	O16	H7	0.0°	66.4°
C6	C5	C4	C3	52.1°	60.0°
C6	C5	C4	C8	127.6°	120.0°
C6	C5	C4	H2	116.3°	120.0°
C6	C5	C8	H2	115.2°	120.0°
C6	C5	C4	O10	172.2°	180.0°
C6	C5	C8	O9	62.9°	175.0°
C6	C5	C4	H1	66.6°	60.0°
C5	C6	C1	H6	151.4°	60.1°
C6	C5	C8	H8	57.7°	65.0°
C6	C5	C8	H9	176.5°	55.0°
C5	C6	C1	O1	94.2°	180.0°
O11	C3	C4	H4	122.5°	120.0°
O11	C3	C4	C5	171.9°	180.0°
O11	C3	C4	O10	52.4°	60.0°
O11	C3	C4	H1	69.5°	60.0°
O11	C3	C2	H5	41.0°	60.0°
C3	C4	C5	O10	120.2°	120.0°
C3	C4	C5	H1	118.7°	120.0°
C3	C4	C5	C8	179.7°	180.0°
C3	C4	O10	H1	121.0°	120.0°
C3	C4	C5	H2	64.3°	60.0°
C4	C3	C2	H5	79.9°	60.0°
C3	C4	O10	H11	180.0°	60.0°
C4	C3	O11	H12	60.8°	180.0°
C4	C5	C8	H2	116.0°	120.0°
C5	C4	O10	H1	120.2°	120.0°
C4	C5	C8	O9	65.9°	65.0°
C4	C5	C6	H3	114.1°	59.9°
C5	C4	C3	H4	49.4°	60.0°
C4	C5	C8	H8	173.5°	55.0°
C4	C5	C8	H9	54.7°	175.0°
C5	C4	O10	H11	61.2°	180.0°
C8	C5	C4	O10	60.1°	60.0°
C5	C8	O9	H8	120.6°	120.1°
C5	C8	O9	H9	120.6°	120.0°
C8	C5	C4	H1	61.0°	60.0°
C8	C5	C6	H3	14.3°	60.0°
C5	C8	H8	H9	118.1°	120.0°
C5	C8	O9	H10	180.0°	180.0°
O10	C4	C5	H2	55.9°	60.0°
O10	C4	C3	H4	70.1°	60.0°
O9	C8	C5	H2	178.1°	55.0°
O9	C8	H8	H9	118.0°	119.9°
H1	C4	C5	H2	177.1°	NaN°
H1	C4	C3	H4	168.0°	180.0°
H1	C4	O10	H11	59.0°	60.0°
H2	C5	C6	H3	129.6°	180.0°
H2	C5	C8	H8	57.5°	175.0°
H2	C5	C8	H9	61.3°	65.0°
H3	C6	C1	H6	91.4°	180.0°
H3	C6	C1	O1	23.0°	60.1°
H4	C3	C2	H5	160.7°	NaN°
H4	C3	O11	H12	61.0°	60.0°
H5	C2	C1	H6	108.9°	180.0°
H5	C2	O12	H13	64.9°	60.1°
H5	C2	C1	O1	11.4°	60.0°
H6	C1	O1	H14	60.5°	60.0°
H8	C8	O9	H10	59.4°	60.0°
H9	C8	O9	H10	59.3°	60.0°

Release date:	2017-08-09
Definition date:	2017-04-17
Last modified:	2017-08-04
Release status:	REL
Processing site:	EBI
Derived from:	5NPB