NV7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	S1	doub	1.42Å	1.43Å
O2	S1	doub	1.42Å	1.43Å
S1	C1	sing	1.81Å	1.75Å
S1	N1	sing	1.66Å	1.64Å
C10	N1	sing	1.47Å	1.48Å
C10	C9	sing	1.53Å	1.51Å
N1	C2	sing	1.47Å	1.48Å
C9	N2	sing	1.47Å	1.47Å
C2	C3	sing	1.53Å	1.51Å
N2	C3	sing	1.47Å	1.47Å
N2	C4	sing	1.47Å	1.47Å
C6	C5	doub	1.34Å	1.35Å	Aromatic
C6	C7	sing	1.41Å	1.42Å	Aromatic
C4	C5	sing	1.51Å	1.49Å
C5	O3	sing	1.34Å	1.37Å	Aromatic
C7	C8	doub	1.34Å	1.37Å	Aromatic
O3	C8	sing	1.34Å	1.37Å	Aromatic
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.08Å	1.08Å
C7	H4	sing	1.08Å	1.08Å
C8	H5	sing	1.08Å	1.08Å
C10	H6	sing	1.09Å	1.10Å
C10	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
C1	H9	sing	1.09Å	1.10Å
C1	H10	sing	1.09Å	1.10Å
C2	H11	sing	1.09Å	1.10Å
C2	H12	sing	1.09Å	1.10Å
C3	H13	sing	1.09Å	1.10Å
C3	H14	sing	1.09Å	1.10Å
C9	H15	sing	1.09Å	1.10Å
C9	H16	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	S1	O2	118.3°	121.0°
O1	S1	C1	108.0°	110.6°
O1	S1	N1	106.3°	104.3°
O2	S1	C1	107.5°	110.5°
O2	S1	N1	106.8°	104.3°
C1	S1	N1	109.7°	104.4°
S1	C1	H8	109.5°	109.4°
S1	C1	H9	109.5°	109.5°
S1	C1	H10	109.5°	109.5°
S1	N1	C10	115.1°	120.9°
S1	N1	C2	116.3°	120.9°
N1	C10	C9	109.6°	108.5°
C10	N1	C2	111.2°	118.3°
N1	C10	H6	109.4°	109.6°
N1	C10	H7	109.4°	109.6°
C10	C9	N2	111.8°	109.4°
C9	C10	H6	109.4°	109.7°
C9	C10	H7	109.4°	109.6°
C10	C9	H15	108.9°	109.5°
C10	C9	H16	108.9°	109.5°
N1	C2	C3	109.2°	108.5°
N1	C2	H11	109.5°	109.6°
N1	C2	H12	109.5°	109.6°
C9	N2	C3	109.6°	111.3°
C9	N2	C4	109.3°	111.0°
N2	C9	H15	108.9°	109.5°
N2	C9	H16	108.9°	109.5°
C2	C3	N2	111.6°	109.4°
C3	C2	H11	109.5°	109.6°
C3	C2	H12	109.6°	109.6°
C2	C3	H13	109.0°	109.5°
C2	C3	H14	108.9°	109.5°
C3	N2	C4	110.3°	111.0°
N2	C3	H13	108.9°	109.5°
N2	C3	H14	108.9°	109.5°
N2	C4	C5	115.1°	109.5°
N2	C4	H1	108.0°	109.5°
N2	C4	H2	108.0°	109.5°
C5	C6	C7	107.3°	106.9°
C6	C5	C4	132.5°	125.8°
C6	C5	O3	110.2°	108.4°
C5	C6	H3	126.3°	126.6°
C6	C7	C8	106.1°	106.8°
C7	C6	H3	126.4°	126.5°
C6	C7	H4	126.9°	126.6°
C4	C5	O3	117.3°	125.8°
C5	C4	H1	108.0°	109.5°
C5	C4	H2	108.0°	109.5°
C5	O3	C8	107.0°	109.4°
C7	C8	O3	109.4°	108.4°
C8	C7	H4	126.9°	126.5°
C7	C8	H5	125.3°	125.8°
O3	C8	H5	125.3°	125.8°
H1	C4	H2	109.5°	109.4°
H6	C10	H7	109.4°	109.8°
H8	C1	H9	109.5°	109.4°
H8	C1	H10	109.4°	109.5°
H9	C1	H10	109.5°	109.5°
H11	C2	H12	109.5°	109.8°
H13	C3	H14	109.5°	109.4°
H15	C9	H16	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	S1	O2	C1	122.6°	131.6°
O1	S1	O2	N1	119.8°	116.8°
O1	S1	C1	N1	115.5°	111.6°
O1	S1	N1	C10	80.8°	26.3°
O1	S1	N1	C2	51.8°	153.9°
O1	S1	C1	H8	180.0°	68.4°
O1	S1	C1	H9	60.0°	171.7°
O1	S1	C1	H10	60.0°	51.6°
O2	S1	C1	N1	115.8°	111.6°
O2	S1	N1	C10	46.4°	154.2°
O2	S1	N1	C2	179.0°	26.0°
O2	S1	C1	H8	51.3°	68.4°
O2	S1	C1	H9	171.3°	51.6°
O2	S1	C1	H10	68.7°	171.6°
C1	S1	N1	C10	162.7°	89.8°
C1	S1	N1	C2	64.8°	90.0°
S1	C1	H8	H9	120.0°	120.0°
S1	C1	H8	H10	120.0°	120.0°
S1	C1	H9	H10	120.0°	120.1°
S1	N1	C10	C2	134.9°	179.8°
S1	N1	C10	C9	168.1°	129.1°
S1	N1	C2	C3	168.2°	129.1°
S1	N1	C10	H6	48.1°	9.3°
S1	N1	C10	H7	71.8°	111.2°
N1	S1	C1	H8	64.5°	180.0°
N1	S1	C1	H9	55.5°	60.0°
N1	S1	C1	H10	175.5°	60.0°
S1	N1	C2	H11	71.9°	111.2°
S1	N1	C2	H12	48.2°	9.4°
N1	C10	C9	H6	120.0°	119.7°
N1	C10	C9	H7	120.0°	119.6°
N1	C10	C9	N2	56.9°	53.8°
C10	N1	C2	C3	57.5°	51.2°
N1	C10	H6	H7	119.9°	120.4°
C10	N1	C2	H11	62.5°	68.6°
C10	N1	C2	H12	177.4°	170.9°
N1	C10	C9	H15	63.4°	66.2°
N1	C10	C9	H16	177.2°	173.8°
C9	C10	N1	C2	57.0°	51.1°
C10	C9	N2	H15	120.4°	120.0°
C10	C9	N2	H16	120.3°	120.0°
C10	C9	N2	C3	57.2°	63.1°
C10	C9	N2	C4	178.3°	172.7°
C9	C10	H6	H7	119.9°	120.5°
C10	C9	H15	H16	118.9°	120.0°
N1	C2	C3	H11	119.9°	119.7°
N1	C2	C3	H12	120.0°	119.7°
N1	C2	C3	N2	58.1°	53.8°
C2	N1	C10	H6	177.0°	170.9°
C2	N1	C10	H7	63.1°	68.5°
N1	C2	H11	H12	120.1°	120.5°
N1	C2	C3	H13	178.4°	173.8°
N1	C2	C3	H14	62.2°	66.2°
C9	N2	C3	C2	57.9°	63.1°
C9	N2	C3	C4	120.4°	124.2°
C9	N2	C4	C5	162.8°	170.0°
C9	N2	C4	H1	76.4°	49.9°
C9	N2	C4	H2	42.0°	70.0°
N2	C9	C10	H6	176.9°	173.5°
N2	C9	C10	H7	63.2°	65.9°
C9	N2	C3	H13	178.2°	176.9°
C9	N2	C3	H14	62.4°	56.9°
N2	C9	H15	H16	118.9°	120.1°
C2	C3	N2	H13	120.3°	120.0°
C2	C3	N2	H14	120.3°	120.0°
C2	C3	N2	C4	178.3°	172.7°
C3	C2	H11	H12	120.1°	120.4°
C2	C3	H13	H14	119.1°	120.1°
C3	N2	C4	C5	76.6°	65.7°
C3	N2	C4	H1	44.2°	174.3°
C3	N2	C4	H2	162.5°	54.4°
N2	C3	C2	H11	61.9°	65.9°
N2	C3	C2	H12	178.0°	173.5°
N2	C3	H13	H14	119.0°	120.0°
C3	N2	C9	H15	63.1°	56.9°
C3	N2	C9	H16	177.6°	177.0°
N2	C4	C5	C6	75.9°	90.3°
N2	C4	C5	H1	120.8°	120.0°
N2	C4	C5	H2	120.8°	120.0°
N2	C4	C5	O3	106.1°	90.0°
N2	C4	H1	H2	117.4°	119.9°
C4	N2	C3	H13	61.4°	52.7°
C4	N2	C3	H14	58.0°	67.3°
C4	N2	C9	H15	57.9°	67.3°
C4	N2	C9	H16	61.4°	52.8°
C5	C6	C7	H3	180.0°	179.9°
C6	C5	C4	O3	177.9°	179.7°
C5	C6	C7	C8	0.5°	0.0°
C6	C5	O3	C8	0.7°	0.4°
C6	C5	C4	H1	163.3°	149.7°
C6	C5	C4	H2	44.9°	29.7°
C5	C6	C7	H4	179.6°	180.0°
C7	C6	C5	C4	178.8°	180.0°
C7	C6	C5	O3	0.8°	0.3°
C6	C7	C8	H4	180.0°	180.0°
C6	C7	C8	O3	0.0°	0.2°
C6	C7	C8	H5	180.0°	179.9°
C4	C5	O3	C8	179.1°	179.8°
C5	C4	H1	H2	117.4°	120.0°
C4	C5	C6	H3	1.2°	0.1°
C5	O3	C8	C7	0.4°	0.4°
O3	C5	C4	H1	14.7°	30.0°
O3	C5	C4	H2	133.0°	149.9°
O3	C5	C6	H3	179.2°	179.8°
C5	O3	C8	H5	179.6°	179.7°
C7	C8	O3	H5	180.0°	179.8°
C8	C7	C6	H3	179.5°	179.9°
O3	C8	C7	H4	180.0°	179.8°
H3	C6	C7	H4	0.5°	0.1°
H4	C7	C8	H5	0.0°	0.1°
H6	C10	C9	H15	56.6°	53.5°
H6	C10	C9	H16	62.7°	66.5°
H7	C10	C9	H15	176.5°	174.2°
H7	C10	C9	H16	57.2°	54.1°
H8	C1	H9	H10	120.0°	120.0°
H11	C2	C3	H13	58.4°	54.1°
H11	C2	C3	H14	177.8°	174.1°
H12	C2	C3	H13	61.7°	66.5°
H12	C2	C3	H14	57.8°	53.6°

Release date:	2019-08-07
Definition date:	2019-05-28
Last modified:	2019-08-02
Release status:	REL
Processing site:	RCSB
Derived from:	5QR5