NV3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C04	C02	sing	1.53Å	1.53Å
C01	C02	sing	1.53Å	1.53Å
C02	C03	sing	1.53Å	1.52Å
C02	C05	sing	1.51Å	1.52Å
O06	C05	doub	1.21Å	1.24Å
C05	C07	sing	1.51Å	1.51Å
CL1	C18	sing	1.74Å	1.75Å
C07	S08	sing	1.81Å	1.87Å
C18	C20	doub	1.37Å	1.39Å	Aromatic
C18	C17	sing	1.39Å	1.38Å	Aromatic
S08	C09	sing	1.76Å	1.82Å
C20	C21	sing	1.40Å	1.41Å	Aromatic
C17	C16	doub	1.36Å	1.41Å	Aromatic
N23	C09	doub	1.32Å	1.36Å	Aromatic
N23	C22	sing	1.33Å	1.38Å	Aromatic
C09	N10	sing	1.33Å	1.35Å	Aromatic
C21	C22	doub	1.46Å	1.46Å	Aromatic
C21	C15	sing	1.41Å	1.39Å	Aromatic
C22	C12	sing	1.41Å	1.40Å	Aromatic
C16	C15	sing	1.40Å	1.41Å	Aromatic
N10	C11	doub	1.32Å	1.36Å	Aromatic
C15	C14	doub	1.41Å	1.52Å	Aromatic
C12	C11	sing	1.40Å	1.42Å	Aromatic
C12	C13	doub	1.41Å	1.50Å	Aromatic
C14	C13	sing	1.35Å	1.56Å	Aromatic
C13	H1	sing	1.08Å	1.08Å
C17	H2	sing	1.08Å	1.08Å
C20	H3	sing	1.08Å	1.08Å
C01	H4	sing	1.09Å	1.10Å
C01	H5	sing	1.09Å	1.10Å
C01	H6	sing	1.09Å	1.10Å
C03	H7	sing	1.09Å	1.10Å
C03	H8	sing	1.09Å	1.10Å
C03	H9	sing	1.09Å	1.10Å
C04	H10	sing	1.09Å	1.10Å
C04	H11	sing	1.09Å	1.10Å
C04	H12	sing	1.09Å	1.10Å
C07	H13	sing	1.09Å	1.10Å
C07	H14	sing	1.09Å	1.10Å
C11	H15	sing	1.08Å	1.08Å
C14	H16	sing	1.08Å	1.08Å
C16	H17	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C04	C02	C01	108.3°	109.5°
C04	C02	C03	110.1°	109.5°
C04	C02	C05	109.2°	109.5°
C02	C04	H10	109.5°	109.5°
C02	C04	H11	109.4°	109.5°
C02	C04	H12	109.4°	109.5°
C01	C02	C03	109.4°	109.5°
C01	C02	C05	112.4°	109.4°
C02	C01	H4	109.5°	109.5°
C02	C01	H5	109.5°	109.5°
C02	C01	H6	109.5°	109.4°
C03	C02	C05	107.5°	109.5°
C02	C03	H7	109.5°	109.5°
C02	C03	H8	109.5°	109.5°
C02	C03	H9	109.5°	109.5°
C02	C05	O06	117.4°	120.0°
C02	C05	C07	124.7°	120.0°
O06	C05	C07	118.0°	120.0°
C05	C07	S08	116.9°	109.5°
C05	C07	H13	107.6°	109.5°
C05	C07	H14	107.6°	109.5°
CL1	C18	C20	118.2°	119.6°
CL1	C18	C17	120.1°	119.7°
C07	S08	C09	115.6°	100.0°
S08	C07	H13	107.6°	109.4°
S08	C07	H14	107.5°	109.5°
C20	C18	C17	121.7°	120.7°
C18	C20	C21	119.6°	119.7°
C18	C20	H3	120.2°	120.2°
C18	C17	C16	118.2°	120.9°
C18	C17	H2	120.9°	119.6°
S08	C09	N23	116.9°	118.8°
S08	C09	N10	118.7°	118.8°
C20	C21	C22	117.3°	121.6°
C20	C21	C15	120.5°	119.7°
C21	C20	H3	120.2°	120.1°
C17	C16	C15	121.8°	119.8°
C16	C17	H2	120.9°	119.5°
C17	C16	H17	119.1°	120.1°
C09	N23	C22	118.0°	120.2°
N23	C09	N10	124.4°	122.4°
N23	C22	C21	117.3°	122.2°
N23	C22	C12	121.6°	119.1°
C09	N10	C11	117.2°	121.5°
C22	C21	C15	122.1°	118.7°
C21	C22	C12	121.1°	118.6°
C21	C15	C16	118.2°	119.1°
C21	C15	C14	120.5°	119.9°
C22	C12	C11	116.2°	118.2°
C22	C12	C13	122.4°	120.1°
C16	C15	C14	121.3°	120.9°
C15	C16	H17	119.1°	120.1°
N10	C11	C12	122.6°	118.6°
N10	C11	H15	118.7°	120.7°
C15	C14	C13	118.0°	121.4°
C15	C14	H16	121.0°	119.3°
C11	C12	C13	121.4°	121.7°
C12	C11	H15	118.7°	120.7°
C12	C13	C14	115.8°	121.3°
C12	C13	H1	122.1°	119.4°
C14	C13	H1	122.1°	119.3°
C13	C14	H16	121.0°	119.3°
H4	C01	H5	109.5°	109.5°
H4	C01	H6	109.5°	109.5°
H5	C01	H6	109.4°	109.5°
H7	C03	H8	109.5°	109.4°
H7	C03	H9	109.4°	109.5°
H8	C03	H9	109.4°	109.5°
H10	C04	H11	109.5°	109.5°
H10	C04	H12	109.5°	109.5°
H11	C04	H12	109.5°	109.5°
H13	C07	H14	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C04	C02	C01	C03	120.1°	120.0°
C04	C02	C01	C05	120.7°	120.0°
C04	C02	C03	C05	118.8°	120.0°
C04	C02	C05	O06	84.1°	120.0°
C04	C02	C05	C07	96.2°	60.0°
C04	C02	C01	H4	180.0°	180.0°
C04	C02	C01	H5	60.0°	60.0°
C04	C02	C01	H6	60.0°	60.0°
C04	C02	C03	H7	180.0°	59.9°
C04	C02	C03	H8	60.0°	60.0°
C04	C02	C03	H9	60.0°	180.0°
C02	C04	H10	H11	120.0°	120.0°
C02	C04	H10	H12	120.0°	120.0°
C02	C04	H11	H12	120.0°	120.0°
C01	C02	C03	C05	122.2°	120.0°
C01	C02	C05	O06	36.1°	0.0°
C01	C02	C05	C07	143.6°	180.0°
C02	C01	H4	H5	120.0°	120.0°
C02	C01	H4	H6	120.0°	120.0°
C02	C01	H5	H6	120.0°	119.9°
C01	C02	C03	H7	61.1°	60.1°
C01	C02	C03	H8	59.0°	180.0°
C01	C02	C03	H9	178.9°	60.0°
C01	C02	C04	H10	180.0°	60.0°
C01	C02	C04	H11	60.0°	180.0°
C01	C02	C04	H12	60.0°	60.0°
C03	C02	C05	O06	156.5°	120.0°
C03	C02	C05	C07	23.3°	60.0°
C03	C02	C01	H4	59.9°	59.9°
C03	C02	C01	H5	180.0°	180.0°
C03	C02	C01	H6	60.1°	60.0°
C02	C03	H7	H8	120.0°	120.0°
C02	C03	H7	H9	120.0°	120.0°
C02	C03	H8	H9	120.0°	120.0°
C03	C02	C04	H10	60.4°	180.0°
C03	C02	C04	H11	59.6°	60.0°
C03	C02	C04	H12	179.6°	60.0°
C02	C05	O06	C07	179.8°	180.0°
C02	C05	C07	S08	178.2°	180.0°
C05	C02	C01	H4	59.3°	60.1°
C05	C02	C01	H5	60.7°	60.0°
C05	C02	C01	H6	179.3°	180.0°
C05	C02	C03	H7	61.1°	180.0°
C05	C02	C03	H8	178.8°	60.0°
C05	C02	C03	H9	58.8°	60.0°
C05	C02	C04	H10	57.3°	59.9°
C05	C02	C04	H11	177.4°	60.0°
C05	C02	C04	H12	62.6°	180.0°
C02	C05	C07	H13	57.2°	60.0°
C02	C05	C07	H14	60.7°	60.0°
O06	C05	C07	S08	1.5°	0.0°
O06	C05	C07	H13	122.6°	120.0°
O06	C05	C07	H14	119.5°	120.0°
C05	C07	S08	H13	121.1°	120.0°
C05	C07	S08	H14	121.1°	120.0°
C05	C07	S08	C09	83.3°	180.0°
C05	C07	H13	H14	116.7°	120.0°
CL1	C18	C20	C17	179.9°	180.0°
CL1	C18	C20	C21	180.0°	180.0°
CL1	C18	C17	C16	179.9°	180.0°
CL1	C18	C17	H2	0.1°	0.0°
CL1	C18	C20	H3	0.0°	0.2°
C07	S08	C09	N23	14.6°	180.0°
C07	S08	C09	N10	165.1°	0.1°
S08	C07	H13	H14	116.6°	120.0°
C18	C20	C21	H3	180.0°	179.8°
C20	C18	C17	C16	0.0°	0.0°
C18	C20	C21	C22	179.9°	179.8°
C18	C20	C21	C15	0.1°	0.1°
C20	C18	C17	H2	180.0°	180.0°
C17	C18	C20	C21	0.1°	0.1°
C18	C17	C16	H2	180.0°	180.0°
C18	C17	C16	C15	0.1°	0.0°
C17	C18	C20	H3	179.9°	179.8°
C18	C17	C16	H17	179.9°	179.9°
S08	C09	N23	N10	179.7°	180.0°
S08	C09	N23	C22	180.0°	180.0°
S08	C09	N10	C11	180.0°	180.0°
C09	S08	C07	H13	37.7°	60.0°
C09	S08	C07	H14	155.6°	59.9°
C20	C21	C22	N23	1.4°	0.0°
C20	C21	C22	C15	179.8°	179.8°
C20	C21	C22	C12	179.0°	180.0°
C20	C21	C15	C16	0.1°	0.1°
C20	C21	C15	C14	179.9°	180.0°
C17	C16	C15	C21	0.0°	0.0°
C17	C16	C15	H17	180.0°	180.0°
C17	C16	C15	C14	180.0°	180.0°
C09	N23	C22	C21	179.9°	180.0°
C09	N23	C22	C12	0.3°	0.1°
N23	C09	N10	C11	0.3°	0.1°
C22	N23	C09	N10	0.3°	0.0°
N23	C22	C21	C12	179.6°	180.0°
N23	C22	C21	C15	178.4°	179.8°
N23	C22	C12	C11	0.3°	0.0°
N23	C22	C12	C13	179.8°	180.0°
C09	N10	C11	C12	0.3°	0.1°
C09	N10	C11	H15	179.7°	179.9°
C22	C21	C15	C16	179.9°	179.8°
C22	C21	C15	C14	0.2°	0.2°
C21	C22	C12	C11	179.9°	180.0°
C21	C22	C12	C13	0.1°	0.0°
C22	C21	C20	H3	0.1°	0.0°
C15	C21	C22	C12	1.3°	0.2°
C21	C15	C16	C14	180.0°	179.9°
C21	C15	C14	C13	2.2°	0.1°
C15	C21	C20	H3	179.9°	179.8°
C21	C15	C14	H16	177.8°	180.0°
C21	C15	C16	H17	179.9°	179.9°
C22	C12	C11	N10	0.3°	0.0°
C22	C12	C11	C13	180.0°	180.0°
C22	C12	C13	C14	2.4°	0.3°
C22	C12	C13	H1	177.6°	179.9°
C22	C12	C11	H15	179.7°	180.0°
C16	C15	C14	C13	177.8°	179.9°
C15	C16	C17	H2	179.9°	180.0°
C16	C15	C14	H16	2.2°	0.1°
N10	C11	C12	H15	180.0°	180.0°
N10	C11	C12	C13	179.7°	180.0°
C15	C14	C13	C12	3.3°	0.4°
C15	C14	C13	H16	180.0°	179.9°
C15	C14	C13	H1	176.7°	180.0°
C14	C15	C16	H17	0.1°	0.0°
C11	C12	C13	C14	177.7°	179.7°
C11	C12	C13	H1	2.4°	0.1°
C12	C13	C14	H1	180.0°	179.6°
C13	C12	C11	H15	0.3°	0.0°
C12	C13	C14	H16	176.7°	179.8°
H1	C13	C14	H16	3.3°	0.1°
H2	C17	C16	H17	0.1°	0.0°
H4	C01	H5	H6	120.0°	120.0°
H7	C03	H8	H9	120.0°	120.0°
H10	C04	H11	H12	120.0°	120.0°

Release date:	2022-10-05
Definition date:	2022-04-11
Last modified:	2022-09-30
Release status:	REL
Processing site:	RCSB
Derived from:	7UN0