P9V

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O8	C5	sing	1.43Å	1.43Å
O10	C6	sing	1.43Å	1.43Å
C5	C6	sing	1.53Å	1.54Å
C5	C4	sing	1.53Å	1.55Å
O12	C4	sing	1.43Å	1.43Å
C6	C7	sing	1.53Å	1.51Å
C4	C3	sing	1.53Å	1.55Å
C17	C16	sing	1.53Å	1.53Å
C17	S18	sing	1.81Å	1.85Å
C16	C3	sing	1.53Å	1.56Å
C7	N2	sing	1.47Å	1.47Å
C3	N2	sing	1.47Å	1.46Å
S18	C1	sing	1.81Å	1.82Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.09Å	1.10Å
C4	H5	sing	1.09Å	1.10Å
C5	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
C7	H8	sing	1.09Å	1.10Å
C7	H9	sing	1.09Å	1.10Å
C16	H10	sing	1.09Å	1.10Å
C16	H11	sing	1.09Å	1.10Å
C17	H12	sing	1.09Å	1.10Å
C17	H13	sing	1.09Å	1.10Å
N2	H14	sing	1.01Å	1.00Å
O10	H16	sing	0.97Å	0.95Å
O12	H17	sing	0.97Å	0.95Å
O8	H18	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O8	C5	C6	109.8°	109.6°
O8	C5	C4	112.0°	109.5°
O8	C5	H6	109.4°	109.6°
C5	O8	H18	109.5°	113.9°
O10	C6	C5	107.9°	109.5°
O10	C6	C7	105.9°	109.5°
O10	C6	H7	112.2°	109.6°
C6	O10	H16	109.5°	114.0°
C6	C5	C4	109.6°	109.2°
C5	C6	C7	109.0°	109.2°
C6	C5	H6	108.1°	109.6°
C5	C6	H7	110.6°	109.5°
C5	C4	O12	110.8°	109.5°
C5	C4	C3	102.2°	109.3°
C5	C4	H5	109.6°	109.5°
C4	C5	H6	107.9°	109.5°
O12	C4	C3	113.3°	109.5°
O12	C4	H5	111.2°	109.5°
C4	O12	H17	109.5°	114.1°
C6	C7	N2	112.5°	109.5°
C7	C6	H7	111.0°	109.5°
C6	C7	H8	108.7°	109.4°
C6	C7	H9	108.7°	109.5°
C4	C3	C16	110.2°	109.5°
C4	C3	N2	114.7°	109.5°
C4	C3	H4	106.9°	109.5°
C3	C4	H5	109.5°	109.5°
C16	C17	S18	113.5°	109.5°
C17	C16	C3	121.7°	109.5°
C17	C16	H10	106.3°	109.5°
C17	C16	H11	106.4°	109.4°
C16	C17	H12	108.5°	109.4°
C16	C17	H13	108.5°	109.4°
C17	S18	C1	107.9°	103.0°
S18	C17	H12	108.5°	109.5°
S18	C17	H13	108.4°	109.5°
C16	C3	N2	110.0°	109.5°
C16	C3	H4	106.8°	109.5°
C3	C16	H10	106.3°	109.5°
C3	C16	H11	106.3°	109.5°
C7	N2	C3	105.0°	111.2°
N2	C7	H8	108.7°	109.5°
N2	C7	H9	108.7°	109.4°
C7	N2	H14	110.6°	111.0°
N2	C3	H4	107.9°	109.5°
C3	N2	H14	110.6°	111.0°
S18	C1	H1	109.5°	109.5°
S18	C1	H2	109.5°	109.5°
S18	C1	H3	109.5°	109.5°
H1	C1	H2	109.5°	109.5°
H1	C1	H3	109.5°	109.4°
H2	C1	H3	109.4°	109.5°
H8	C7	H9	109.5°	109.4°
H10	C16	H11	109.5°	109.4°
H12	C17	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O8	C5	C6	O10	62.2°	177.8°
O8	C5	C6	C4	123.4°	119.9°
O8	C5	C6	H6	119.2°	120.2°
O8	C5	C4	H6	120.4°	120.1°
O8	C5	C4	O12	57.8°	177.8°
O8	C5	C6	C7	176.8°	62.2°
O8	C5	C4	C3	178.7°	62.3°
O8	C5	C4	H5	65.2°	57.7°
O8	C5	C6	H7	60.9°	57.7°
O10	C6	C5	C7	114.6°	120.0°
O10	C6	C5	H7	123.0°	120.2°
O10	C6	C5	C4	174.4°	62.3°
O10	C6	C7	H7	122.0°	120.1°
O10	C6	C7	N2	175.7°	60.8°
O10	C6	C5	H6	57.1°	57.6°
O10	C6	C7	H8	55.3°	59.2°
O10	C6	C7	H9	63.8°	179.2°
C6	C5	C4	H6	117.4°	120.0°
C6	C5	C4	O12	179.9°	62.3°
C5	C6	C7	H7	122.1°	119.9°
C6	C5	C4	C3	59.2°	57.7°
C5	C6	C7	N2	59.8°	59.2°
C6	C5	C4	H5	56.9°	177.6°
C5	C6	C7	H8	60.6°	179.2°
C5	C6	C7	H9	179.7°	60.8°
C5	C6	O10	H16	180.0°	180.0°
C6	C5	O8	H18	180.0°	60.0°
C5	C4	O12	C3	114.1°	119.8°
C5	C4	O12	H5	122.1°	120.0°
C4	C5	C6	C7	59.8°	57.7°
C5	C4	C3	H5	116.1°	119.9°
C5	C4	C3	C16	59.2°	179.1°
C5	C4	C3	N2	65.6°	59.1°
C5	C4	C3	H4	174.9°	60.9°
C4	C5	C6	H7	62.6°	177.5°
C5	C4	O12	H17	180.0°	60.2°
C4	C5	O8	H18	58.0°	179.7°
O12	C4	C3	H5	124.7°	120.1°
O12	C4	C3	C16	60.0°	59.2°
O12	C4	C3	N2	175.2°	60.8°
O12	C4	C3	H4	55.7°	179.2°
O12	C4	C5	H6	62.7°	57.6°
C6	C7	N2	H8	120.5°	120.0°
C6	C7	N2	H9	120.4°	120.1°
C6	C7	N2	C3	59.9°	61.8°
C7	C6	C5	H6	57.6°	177.6°
C6	C7	H8	H9	118.6°	120.0°
C6	C7	N2	H14	179.2°	62.3°
C7	C6	O10	H16	63.3°	60.2°
C4	C3	C16	C17	76.2°	175.0°
C4	C3	C16	N2	127.4°	120.0°
C4	C3	C16	H4	115.8°	120.0°
C4	C3	N2	C7	65.5°	61.7°
C4	C3	N2	H4	119.0°	120.0°
C3	C4	C5	H6	58.3°	177.6°
C4	C3	C16	H10	162.1°	54.9°
C4	C3	C16	H11	45.5°	65.0°
C4	C3	N2	H14	175.2°	62.4°
C3	C4	O12	H17	65.9°	180.0°
C16	C17	S18	H12	120.6°	120.0°
C16	C17	S18	H13	120.6°	120.0°
C17	C16	C3	H10	121.7°	120.0°
C17	C16	C3	H11	121.7°	120.0°
C17	C16	C3	N2	156.4°	65.0°
C16	C17	S18	C1	29.7°	180.0°
C17	C16	C3	H4	39.6°	55.0°
C17	C16	H10	H11	114.5°	119.9°
C16	C17	H12	H13	118.2°	119.9°
S18	C17	C16	C3	82.8°	180.0°
C17	S18	C1	H1	180.0°	180.0°
C17	S18	C1	H2	60.0°	60.0°
C17	S18	C1	H3	60.0°	60.0°
S18	C17	C16	H10	38.9°	60.0°
S18	C17	C16	H11	155.5°	60.0°
S18	C17	H12	H13	118.1°	120.1°
C16	C3	N2	C7	59.3°	178.3°
C16	C3	N2	H4	116.2°	120.0°
C16	C3	C4	H5	175.2°	60.9°
C3	C16	H10	H11	114.5°	120.0°
C3	C16	C17	H12	37.8°	60.0°
C3	C16	C17	H13	156.6°	60.0°
C16	C3	N2	H14	60.0°	57.6°
C7	N2	C3	H14	119.3°	124.1°
C7	N2	C3	H4	175.5°	58.3°
N2	C7	C6	H7	62.2°	179.1°
N2	C7	H8	H9	118.6°	119.9°
N2	C3	C4	H5	50.5°	179.1°
C3	N2	C7	H8	60.5°	178.2°
C3	N2	C7	H9	179.6°	58.3°
N2	C3	C16	H10	34.7°	175.0°
N2	C3	C16	H11	81.9°	55.0°
S18	C1	H1	H2	120.0°	120.0°
S18	C1	H1	H3	120.0°	120.0°
S18	C1	H2	H3	120.0°	120.0°
C1	S18	C17	H12	90.9°	60.0°
C1	S18	C17	H13	150.3°	60.1°
H1	C1	H2	H3	120.0°	119.9°
H4	C3	C4	H5	69.1°	59.1°
H4	C3	C16	H10	82.1°	65.0°
H4	C3	C16	H11	161.3°	175.0°
H4	C3	N2	H14	56.2°	177.6°
H5	C4	C5	H6	174.3°	62.4°
H5	C4	O12	H17	57.9°	59.9°
H6	C5	C6	H7	179.9°	62.6°
H6	C5	O8	H18	61.6°	60.3°
H7	C6	C7	H8	177.3°	60.9°
H7	C6	C7	H9	58.2°	59.1°
H7	C6	O10	H16	58.0°	59.9°
H8	C7	N2	H14	58.7°	57.6°
H9	C7	N2	H14	60.4°	177.6°
H10	C16	C17	H12	159.5°	179.9°
H10	C16	C17	H13	81.7°	60.1°
H11	C16	C17	H12	83.9°	60.0°
H11	C16	C17	H13	34.9°	180.0°

Release date:	2020-08-19
Definition date:	2019-08-06
Last modified:	2020-08-14
Release status:	REL
Processing site:	RCSB
Derived from:	6Q1N