8V5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C9	sing	1.53Å	1.51Å
C10	N2	sing	1.47Å	1.44Å
C9	O8	sing	1.43Å	1.49Å
N2	C16	sing	1.35Å	1.33Å
N2	C6	sing	1.47Å	1.36Å
O8	C7	sing	1.43Å	1.43Å
O25	C16	doub	1.22Å	1.23Å
C16	C14	sing	1.47Å	1.50Å
C7	C6	sing	1.53Å	1.53Å
C14	N13	doub	1.31Å	1.31Å	Aromatic
C14	O15	sing	1.35Å	1.35Å	Aromatic
N13	C12	sing	1.33Å	1.38Å	Aromatic
O15	C11	sing	1.35Å	1.38Å	Aromatic
C12	C11	doub	1.38Å	1.35Å	Aromatic
C11	C3	sing	1.47Å	1.45Å
C3	C4	doub	1.36Å	1.38Å	Aromatic
C3	S2	sing	1.76Å	1.74Å	Aromatic
C4	C5	sing	1.38Å	1.41Å	Aromatic
S2	C1	sing	1.76Å	1.72Å	Aromatic
C5	C1	doub	1.34Å	1.37Å	Aromatic
C1	S1	sing	1.76Å	1.76Å
N24	S1	sing	1.66Å	1.58Å
O22	S1	doub	1.42Å	1.43Å
S1	O23	doub	1.42Å	1.43Å
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C12	H3	sing	1.08Å	1.08Å
N24	H4	sing	0.97Å	1.00Å
N24	H5	sing	0.97Å	1.00Å
C6	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
C9	H10	sing	1.09Å	1.10Å
C9	H11	sing	1.09Å	1.10Å
C10	H12	sing	1.09Å	1.10Å
C10	H13	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	C10	N2	110.4°	108.6°
C10	C9	O8	113.1°	109.3°
C10	C9	H10	108.6°	109.6°
C10	C9	H11	108.6°	109.4°
C9	C10	H12	109.3°	109.7°
C9	C10	H13	109.3°	109.7°
C10	N2	C16	120.3°	121.0°
C10	N2	C6	117.1°	118.0°
N2	C10	H12	109.2°	109.8°
N2	C10	H13	109.2°	109.3°
C9	O8	C7	113.7°	114.2°
O8	C9	H10	108.6°	109.5°
O8	C9	H11	108.5°	109.5°
C16	N2	C6	120.0°	121.0°
N2	C16	O25	122.3°	120.0°
N2	C16	C14	118.2°	120.0°
N2	C6	C7	113.9°	108.4°
N2	C6	H6	108.4°	109.7°
N2	C6	H7	108.4°	109.7°
O8	C7	C6	111.1°	109.2°
O8	C7	H8	109.1°	109.5°
O8	C7	H9	109.1°	109.6°
O25	C16	C14	119.4°	120.0°
C16	C14	N13	126.6°	125.4°
C16	C14	O15	119.9°	125.4°
C7	C6	H6	108.3°	109.7°
C7	C6	H7	108.3°	109.7°
C6	C7	H8	109.1°	109.5°
C6	C7	H9	109.1°	109.5°
N13	C14	O15	113.3°	109.1°
C14	N13	C12	104.4°	109.1°
C14	O15	C11	105.2°	107.6°
N13	C12	C11	110.4°	107.5°
N13	C12	H3	124.8°	126.2°
O15	C11	C12	106.7°	106.7°
O15	C11	C3	116.0°	126.7°
C12	C11	C3	137.3°	126.6°
C11	C12	H3	124.8°	126.3°
C11	C3	C4	123.4°	125.3°
C11	C3	S2	126.2°	125.3°
C4	C3	S2	110.4°	109.3°
C3	C4	C5	113.6°	114.4°
C3	C4	H1	123.2°	122.8°
C3	S2	C1	91.6°	91.1°
C4	C5	C1	112.4°	115.2°
C5	C4	H1	123.2°	122.8°
C4	C5	H2	123.8°	122.4°
S2	C1	C5	112.0°	110.0°
S2	C1	S1	121.4°	125.0°
C5	C1	S1	126.6°	125.0°
C1	C5	H2	123.8°	122.4°
C1	S1	N24	106.3°	107.2°
C1	S1	O22	107.7°	106.4°
C1	S1	O23	105.8°	106.4°
N24	S1	O22	108.1°	106.4°
N24	S1	O23	107.8°	106.4°
S1	N24	H4	109.5°	120.0°
S1	N24	H5	109.5°	120.0°
O22	S1	O23	120.2°	123.1°
H4	N24	H5	109.5°	119.9°
H6	C6	H7	109.5°	109.7°
H8	C7	H9	109.5°	109.5°
H10	C9	H11	109.5°	109.5°
H12	C10	H13	109.5°	109.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	C10	N2	H12	120.1°	120.0°
C9	C10	N2	H13	120.1°	119.7°
C10	C9	O8	H10	120.6°	120.1°
C10	C9	O8	H11	120.6°	119.9°
C9	C10	N2	C16	105.5°	129.5°
C9	C10	N2	C6	55.9°	50.2°
C10	C9	O8	C7	41.9°	62.5°
C10	C9	H10	H11	118.4°	120.0°
C9	C10	H12	H13	119.6°	120.6°
N2	C10	C9	O8	10.4°	52.1°
C10	N2	C16	C6	160.8°	179.6°
C10	N2	C16	O25	82.9°	6.5°
C10	N2	C16	C14	94.6°	173.4°
C10	N2	C6	C7	45.4°	50.3°
C10	N2	C6	H6	75.2°	69.5°
C10	N2	C6	H7	166.0°	170.0°
N2	C10	C9	H10	110.2°	172.0°
N2	C10	C9	H11	130.9°	67.9°
N2	C10	H12	H13	119.6°	120.1°
C9	O8	C7	C6	52.8°	62.6°
C9	O8	C7	H8	173.1°	177.5°
C9	O8	C7	H9	67.4°	57.3°
O8	C9	H10	H11	118.3°	120.1°
O8	C9	C10	H12	109.8°	172.1°
O8	C9	C10	H13	130.5°	67.4°
N2	C16	O25	C14	177.5°	180.0°
C16	N2	C6	C7	116.0°	129.4°
N2	C16	C14	N13	6.4°	7.8°
N2	C16	C14	O15	178.6°	172.0°
C16	N2	C6	H6	123.3°	110.9°
C16	N2	C6	H7	4.6°	9.7°
C16	N2	C10	H12	134.4°	9.5°
C16	N2	C10	H13	14.7°	110.8°
N2	C6	C7	O8	10.3°	52.3°
C6	N2	C16	O25	116.3°	173.1°
C6	N2	C16	C14	66.2°	6.9°
N2	C6	C7	H6	120.7°	119.7°
N2	C6	C7	H7	120.6°	119.7°
N2	C6	H6	H7	118.0°	120.5°
N2	C6	C7	H8	130.6°	172.2°
N2	C6	C7	H9	109.9°	67.7°
C6	N2	C10	H12	64.2°	170.2°
C6	N2	C10	H13	176.1°	69.5°
O8	C7	C6	H8	120.3°	119.9°
O8	C7	C6	H9	120.2°	120.0°
O8	C7	C6	H6	131.0°	67.4°
O8	C7	C6	H7	110.3°	172.0°
O8	C7	H8	H9	119.3°	120.2°
C7	O8	C9	H10	162.5°	177.5°
C7	O8	C9	H11	78.7°	57.4°
O25	C16	C14	N13	171.2°	172.1°
O25	C16	C14	O15	3.9°	8.0°
C16	C14	N13	O15	175.4°	179.8°
C16	C14	N13	C12	174.9°	180.0°
C16	C14	O15	C11	175.0°	179.8°
C7	C6	H6	H7	117.9°	120.6°
C6	C7	H8	H9	119.2°	120.1°
N13	C14	O15	C11	0.7°	0.4°
C14	N13	C12	C11	0.1°	0.0°
C14	N13	C12	H3	179.9°	180.0°
O15	C14	N13	C12	0.5°	0.2°
C14	O15	C11	C12	0.6°	0.4°
C14	O15	C11	C3	179.5°	179.9°
N13	C12	C11	O15	0.3°	0.3°
N13	C12	C11	H3	180.0°	180.0°
N13	C12	C11	C3	179.8°	180.0°
O15	C11	C12	C3	179.9°	179.7°
O15	C11	C3	C4	158.6°	0.3°
O15	C11	C3	S2	22.0°	180.0°
O15	C11	C12	H3	179.7°	179.7°
C12	C11	C3	C4	21.5°	180.0°
C12	C11	C3	S2	157.9°	0.3°
C11	C3	C4	S2	179.4°	179.7°
C11	C3	C4	C5	179.2°	180.0°
C11	C3	S2	C1	179.0°	179.7°
C11	C3	C4	H1	0.8°	0.2°
C3	C11	C12	H3	0.2°	0.0°
C3	C4	C5	H1	180.0°	179.8°
C4	C3	S2	C1	0.4°	0.0°
C3	C4	C5	C1	0.1°	0.5°
C3	C4	C5	H2	179.9°	180.0°
S2	C3	C4	C5	0.3°	0.2°
C3	S2	C1	C5	0.4°	0.3°
C3	S2	C1	S1	177.0°	180.0°
S2	C3	C4	H1	179.7°	180.0°
C4	C5	C1	S2	0.4°	0.5°
C4	C5	C1	H2	180.0°	179.5°
C4	C5	C1	S1	176.9°	179.8°
S2	C1	C5	S1	177.2°	179.7°
S2	C1	S1	N24	127.2°	89.9°
S2	C1	S1	O22	11.5°	23.6°
S2	C1	S1	O23	118.4°	156.5°
S2	C1	C5	H2	179.6°	180.0°
C5	C1	S1	N24	55.8°	89.7°
C5	C1	S1	O22	171.5°	156.8°
C5	C1	S1	O23	58.6°	23.9°
C1	C5	C4	H1	180.0°	179.7°
C1	S1	N24	O22	115.4°	113.5°
C1	S1	N24	O23	113.1°	113.6°
C1	S1	O22	O23	121.2°	123.0°
S1	C1	C5	H2	3.2°	0.3°
C1	S1	N24	H4	180.0°	0.0°
C1	S1	N24	H5	60.0°	180.0°
N24	S1	O22	O23	124.3°	122.9°
S1	N24	H4	H5	120.0°	180.0°
O22	S1	N24	H4	64.6°	113.6°
O22	S1	N24	H5	55.5°	66.4°
O23	S1	N24	H4	66.9°	113.6°
O23	S1	N24	H5	173.1°	66.5°
H1	C4	C5	H2	0.1°	0.2°
H6	C6	C7	H8	108.7°	52.5°
H6	C6	C7	H9	10.7°	172.6°
H7	C6	C7	H8	9.9°	68.1°
H7	C6	C7	H9	129.4°	52.0°
H10	C9	C10	H12	129.7°	67.9°
H10	C9	C10	H13	10.0°	52.6°
H11	C9	C10	H12	10.8°	52.1°
H11	C9	C10	H13	109.0°	172.7°

Release date:	2017-12-06
Definition date:	2017-03-10
Last modified:	2017-12-01
Release status:	REL
Processing site:	EBI
Derived from:	5NEE