5V3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C14	C13	doub	1.38Å	1.37Å	Aromatic
C14	N15	sing	1.32Å	1.37Å	Aromatic
C13	C12	sing	1.39Å	1.49Å	Aromatic
O20	C16	doub	1.22Å	1.20Å
N15	C10	doub	1.32Å	1.41Å	Aromatic
C12	C16	sing	1.47Å	1.49Å
C12	C11	doub	1.41Å	1.39Å	Aromatic
C16	N17	sing	1.35Å	1.41Å
C10	C11	sing	1.39Å	1.43Å	Aromatic
C10	C09	sing	1.51Å	1.54Å
C11	N19	sing	1.38Å	1.45Å
N17	C18	doub	1.31Å	1.43Å
C09	N08	sing	1.47Å	1.47Å
N19	C18	sing	1.34Å	1.46Å
N08	C01	sing	1.47Å	1.48Å
C01	C02	sing	1.51Å	1.57Å
C02	C03	doub	1.38Å	1.38Å	Aromatic
C02	C07	sing	1.38Å	1.38Å	Aromatic
C03	C04	sing	1.38Å	1.41Å	Aromatic
C07	C06	doub	1.38Å	1.40Å	Aromatic
C04	C05	doub	1.38Å	1.38Å	Aromatic
C06	C05	sing	1.38Å	1.39Å	Aromatic
C13	H1	sing	1.08Å	1.08Å
C01	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
C03	H4	sing	1.08Å	1.08Å
C04	H5	sing	1.08Å	1.08Å
C05	H6	sing	1.08Å	1.08Å
C06	H7	sing	1.08Å	1.08Å
C07	H8	sing	1.08Å	1.08Å
N08	H9	sing	1.01Å	1.00Å
C09	H11	sing	1.09Å	1.10Å
C09	H12	sing	1.09Å	1.10Å
C14	H13	sing	1.08Å	1.08Å
C18	H14	sing	1.08Å	1.08Å
N19	H15	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C13	C14	N15	122.0°	121.3°
C14	C13	C12	117.6°	118.4°
C14	C13	H1	121.2°	120.8°
C13	C14	H13	119.0°	119.4°
C14	N15	C10	121.6°	122.7°
N15	C14	H13	119.0°	119.3°
C13	C12	C16	119.0°	123.1°
C13	C12	C11	120.3°	118.8°
C12	C13	H1	121.2°	120.8°
O20	C16	C12	119.6°	121.1°
O20	C16	N17	122.7°	121.0°
N15	C10	C11	119.3°	120.0°
N15	C10	C09	117.9°	120.0°
C16	C12	C11	120.6°	118.1°
C12	C16	N17	117.7°	117.9°
C12	C11	C10	119.1°	118.8°
C12	C11	N19	121.3°	118.3°
C16	N17	C18	122.2°	121.7°
C11	C10	C09	122.6°	120.0°
C10	C11	N19	119.6°	122.9°
C10	C09	N08	106.9°	109.5°
C10	C09	H11	110.1°	109.5°
C10	C09	H12	110.1°	109.5°
C11	N19	C18	118.6°	120.5°
C11	N19	H15	120.7°	119.8°
N17	C18	N19	119.6°	123.5°
N17	C18	H14	120.2°	118.2°
C09	N08	C01	119.8°	111.0°
C09	N08	H9	106.9°	111.0°
N08	C09	H11	110.1°	109.5°
N08	C09	H12	110.1°	109.5°
N19	C18	H14	120.2°	118.2°
C18	N19	H15	120.7°	119.8°
N08	C01	C02	115.2°	109.5°
N08	C01	H2	108.0°	109.5°
N08	C01	H3	108.0°	109.5°
C01	N08	H9	106.8°	111.0°
C01	C02	C03	119.5°	120.0°
C01	C02	C07	121.3°	120.0°
C02	C01	H2	108.0°	109.5°
C02	C01	H3	108.0°	109.5°
C03	C02	C07	119.2°	120.0°
C02	C03	C04	120.8°	120.0°
C02	C03	H4	119.6°	120.0°
C02	C07	C06	120.4°	120.0°
C02	C07	H8	119.8°	120.0°
C03	C04	C05	119.6°	120.0°
C04	C03	H4	119.6°	120.0°
C03	C04	H5	120.2°	120.0°
C07	C06	C05	120.2°	120.0°
C07	C06	H7	119.9°	120.0°
C06	C07	H8	119.8°	120.0°
C04	C05	C06	119.7°	120.0°
C05	C04	H5	120.2°	120.0°
C04	C05	H6	120.1°	120.0°
C06	C05	H6	120.1°	120.0°
C05	C06	H7	119.9°	120.0°
H2	C01	H3	109.5°	109.4°
H11	C09	H12	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C13	C14	N15	H13	180.0°	179.2°
C14	C13	C12	H1	180.0°	179.6°
C13	C14	N15	C10	0.1°	0.6°
C14	C13	C12	C16	179.2°	179.5°
C14	C13	C12	C11	1.3°	0.5°
N15	C14	C13	C12	0.4°	0.8°
C14	N15	C10	C11	0.2°	0.1°
C14	N15	C10	C09	175.3°	179.7°
N15	C14	C13	H1	179.6°	179.7°
C13	C12	C16	O20	0.8°	0.0°
C13	C12	C16	C11	179.6°	180.0°
C13	C12	C16	N17	179.2°	180.0°
C13	C12	C11	C10	1.5°	0.0°
C13	C12	C11	N19	179.8°	180.0°
C12	C13	C14	H13	179.6°	180.0°
O20	C16	C12	N17	180.0°	180.0°
O20	C16	C12	C11	178.8°	180.0°
O20	C16	N17	C18	178.9°	180.0°
N15	C10	C11	C12	1.0°	0.2°
N15	C10	C11	C09	174.9°	179.8°
N15	C10	C11	N19	179.3°	179.8°
N15	C10	C09	N08	34.0°	90.2°
N15	C10	C09	H11	85.7°	29.8°
N15	C10	C09	H12	153.6°	149.8°
C10	N15	C14	H13	179.9°	179.8°
C16	C12	C11	C10	178.9°	180.0°
C16	C12	C11	N19	0.6°	0.0°
C12	C16	N17	C18	1.1°	0.0°
C16	C12	C13	H1	0.8°	0.1°
C11	C12	C16	N17	1.2°	0.0°
C12	C11	C10	N19	178.3°	180.0°
C12	C11	C10	C09	175.9°	180.0°
C12	C11	N19	C18	0.1°	0.0°
C11	C12	C13	H1	178.7°	180.0°
C12	C11	N19	H15	179.9°	180.0°
C16	N17	C18	N19	0.3°	0.0°
C16	N17	C18	H14	179.6°	179.9°
C11	C10	C09	N08	141.0°	90.0°
C10	C11	N19	C18	178.1°	180.0°
C11	C10	C09	H11	99.4°	150.0°
C11	C10	C09	H12	21.4°	30.0°
C10	C11	N19	H15	1.8°	0.0°
C09	C10	C11	N19	5.8°	0.0°
C10	C09	N08	H11	119.6°	120.0°
C10	C09	N08	H12	119.6°	120.0°
C10	C09	N08	C01	53.8°	180.0°
C10	C09	N08	H9	67.6°	56.1°
C10	C09	H11	H12	121.1°	120.0°
C11	N19	C18	N17	0.3°	0.0°
C11	N19	C18	H15	180.0°	180.0°
C11	N19	C18	H14	179.8°	180.0°
N17	C18	N19	H14	180.0°	179.9°
N17	C18	N19	H15	179.7°	180.0°
C09	N08	C01	H9	121.5°	124.0°
C09	N08	C01	C02	94.7°	180.0°
C09	N08	C01	H2	26.2°	60.0°
C09	N08	C01	H3	144.5°	60.0°
N08	C09	H11	H12	121.2°	120.0°
N08	C01	C02	H2	120.8°	120.0°
N08	C01	C02	H3	120.8°	120.0°
N08	C01	C02	C03	93.5°	90.0°
N08	C01	C02	C07	86.5°	90.3°
N08	C01	H2	H3	117.4°	120.0°
C01	N08	C09	H11	173.4°	60.0°
C01	N08	C09	H12	65.8°	60.0°
C01	C02	C03	C07	180.0°	179.7°
C01	C02	C03	C04	179.2°	180.0°
C01	C02	C07	C06	179.9°	179.8°
C02	C01	H2	H3	117.4°	120.0°
C01	C02	C03	H4	0.8°	0.1°
C01	C02	C07	H8	0.2°	0.1°
C02	C01	N08	H9	143.9°	56.1°
C02	C03	C04	H4	180.0°	179.9°
C03	C02	C07	C06	0.1°	0.6°
C02	C03	C04	C05	1.1°	0.1°
C03	C02	C01	H2	145.7°	149.9°
C03	C02	C01	H3	27.3°	30.0°
C02	C03	C04	H5	178.9°	179.9°
C03	C02	C07	H8	179.8°	179.7°
C07	C02	C03	C04	0.8°	0.4°
C02	C07	C06	H8	180.0°	179.7°
C02	C07	C06	C05	0.2°	0.5°
C07	C02	C01	H2	34.3°	29.7°
C07	C02	C01	H3	152.7°	149.7°
C07	C02	C03	H4	179.2°	179.8°
C02	C07	C06	H7	179.8°	179.7°
C03	C04	C05	H5	180.0°	180.0°
C03	C04	C05	C06	0.7°	0.0°
C03	C04	C05	H6	179.2°	180.0°
C07	C06	C05	C04	0.1°	0.2°
C07	C06	C05	H7	180.0°	179.8°
C07	C06	C05	H6	179.9°	179.8°
C04	C05	C06	H6	180.0°	180.0°
C05	C04	C03	H4	178.9°	180.0°
C04	C05	C06	H7	179.9°	179.9°
C06	C05	C04	H5	179.3°	180.0°
C05	C06	C07	H8	179.8°	179.8°
H1	C13	C14	H13	0.4°	0.4°
H2	C01	N08	H9	95.3°	64.0°
H3	C01	N08	H9	23.0°	176.1°
H4	C03	C04	H5	1.1°	0.1°
H5	C04	C05	H6	0.7°	0.0°
H6	C05	C06	H7	0.1°	0.0°
H7	C06	C07	H8	0.2°	0.0°
H9	N08	C09	H11	52.0°	176.1°
H9	N08	C09	H12	172.8°	64.0°
H14	C18	N19	H15	0.2°	0.1°

Release date:	2015-12-29
Definition date:	2015-12-04
Last modified:	2015-12-24
Release status:	REL
Processing site:	EBI
Derived from:	5F5C