FI5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C12	C13	sing	1.53Å	1.53Å
C12	C11	sing	1.53Å	1.48Å
C13	N14	sing	1.47Å	1.48Å
O10	C11	sing	1.43Å	1.40Å
O10	C08	sing	1.36Å	1.40Å
C11	C16	sing	1.53Å	1.48Å
C08	C09	doub	1.39Å	1.39Å	Aromatic
C08	C07	sing	1.39Å	1.39Å	Aromatic
N14	C15	sing	1.47Å	1.48Å
C09	C04	sing	1.39Å	1.39Å	Aromatic
C07	C06	doub	1.38Å	1.39Å	Aromatic
C16	C15	sing	1.53Å	1.53Å
O03	C02	doub	1.22Å	1.18Å
C04	C02	sing	1.48Å	1.53Å
C04	N05	doub	1.33Å	1.32Å	Aromatic
C06	N05	sing	1.32Å	1.32Å	Aromatic
C02	N01	sing	1.35Å	1.45Å
C16	H1	sing	1.09Å	1.10Å
C16	H2	sing	1.09Å	1.10Å
C15	H3	sing	1.09Å	1.10Å
C15	H4	sing	1.09Å	1.10Å
C13	H5	sing	1.09Å	1.10Å
C13	H6	sing	1.09Å	1.10Å
C12	H7	sing	1.09Å	1.10Å
C12	H8	sing	1.09Å	1.10Å
C11	H9	sing	1.09Å	1.10Å
C06	H10	sing	1.08Å	1.08Å
C07	H11	sing	1.08Å	1.08Å
C09	H12	sing	1.08Å	1.08Å
N01	H13	sing	0.97Å	1.00Å
N01	H14	sing	0.97Å	1.00Å
N14	H15	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C13	C12	C11	112.1°	109.3°
C12	C13	N14	112.1°	109.5°
C12	C13	H5	108.8°	109.4°
C12	C13	H6	108.8°	109.5°
C13	C12	H7	108.8°	109.5°
C13	C12	H8	108.8°	109.5°
C12	C11	O10	108.9°	109.5°
C12	C11	C16	112.0°	109.2°
C11	C12	H7	108.8°	109.5°
C11	C12	H8	108.8°	109.5°
C12	C11	H9	108.6°	109.5°
C13	N14	C15	112.1°	111.2°
N14	C13	H5	108.8°	109.5°
N14	C13	H6	108.8°	109.4°
C13	N14	H15	108.8°	111.0°
C11	O10	C08	110.0°	117.0°
O10	C11	C16	108.9°	109.5°
O10	C11	H9	109.8°	109.6°
O10	C08	C09	120.6°	120.8°
O10	C08	C07	120.9°	120.8°
C11	C16	C15	112.1°	109.3°
C11	C16	H1	108.8°	109.5°
C11	C16	H2	108.8°	109.5°
C16	C11	H9	108.6°	109.5°
C09	C08	C07	118.5°	118.4°
C08	C09	C04	118.2°	119.0°
C08	C09	H12	120.9°	120.5°
C08	C07	C06	120.1°	119.3°
C08	C07	H11	120.0°	120.4°
N14	C15	C16	112.1°	109.5°
N14	C15	H3	108.8°	109.5°
N14	C15	H4	108.8°	109.5°
C15	N14	H15	108.8°	111.0°
C09	C04	C02	119.2°	119.7°
C09	C04	N05	121.6°	120.6°
C04	C09	H12	120.9°	120.5°
C07	C06	N05	119.6°	121.0°
C07	C06	H10	120.2°	119.5°
C06	C07	H11	120.0°	120.3°
C15	C16	H1	108.8°	109.6°
C15	C16	H2	108.8°	109.5°
C16	C15	H3	108.8°	109.5°
C16	C15	H4	108.8°	109.5°
O03	C02	C04	120.1°	120.0°
O03	C02	N01	120.0°	120.0°
C02	C04	N05	119.1°	119.7°
C04	C02	N01	120.0°	120.0°
C04	N05	C06	122.0°	121.8°
N05	C06	H10	120.2°	119.5°
C02	N01	H13	120.0°	120.0°
C02	N01	H14	120.0°	120.0°
H1	C16	H2	109.4°	109.5°
H3	C15	H4	109.5°	109.5°
H5	C13	H6	109.5°	109.5°
H7	C12	H8	109.5°	109.5°
H13	N01	H14	120.0°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C13	C12	C11	H7	120.4°	120.0°
C13	C12	C11	H8	120.4°	119.9°
C12	C13	N14	H5	120.4°	120.0°
C12	C13	N14	H6	120.4°	120.0°
C13	C12	C11	O10	173.5°	177.5°
C13	C12	C11	C16	53.0°	57.6°
C12	C13	N14	C15	52.9°	61.8°
C12	C13	H5	H6	118.8°	120.0°
C13	C12	H7	H8	118.8°	120.1°
C13	C12	C11	H9	67.0°	62.2°
C12	C13	N14	H15	67.5°	62.4°
C11	C12	C13	N14	53.0°	59.2°
C12	C11	O10	C16	122.4°	119.7°
C12	C11	O10	H9	118.7°	120.1°
C12	C11	O10	C08	174.9°	155.2°
C12	C11	C16	H9	119.9°	119.9°
C12	C11	C16	C15	52.9°	57.7°
C12	C11	C16	H1	173.3°	62.3°
C12	C11	C16	H2	67.5°	177.6°
C11	C12	C13	H5	173.4°	179.2°
C11	C12	C13	H6	67.4°	60.8°
C11	C12	H7	H8	118.8°	120.1°
C13	N14	C15	H15	120.4°	124.1°
C13	N14	C15	C16	52.9°	61.8°
C13	N14	C15	H3	173.3°	58.2°
C13	N14	C15	H4	67.5°	178.2°
N14	C13	H5	H6	118.8°	120.0°
N14	C13	C12	H7	173.4°	179.1°
N14	C13	C12	H8	67.4°	60.8°
O10	C11	C16	H9	119.6°	120.2°
C11	O10	C08	C09	157.8°	5.5°
C11	O10	C08	C07	22.3°	174.6°
O10	C11	C16	C15	173.4°	177.6°
O10	C11	C16	H1	66.2°	57.6°
O10	C11	C16	H2	53.0°	62.5°
O10	C11	C12	H7	66.1°	62.5°
O10	C11	C12	H8	53.1°	57.6°
C08	O10	C11	C16	62.7°	85.1°
O10	C08	C09	C07	179.9°	179.9°
O10	C08	C09	C04	180.0°	180.0°
O10	C08	C07	C06	180.0°	179.7°
C08	O10	C11	H9	56.1°	35.1°
O10	C08	C07	H11	0.0°	0.0°
O10	C08	C09	H12	0.1°	0.1°
C11	C16	C15	N14	52.9°	59.2°
C11	C16	C15	H1	120.4°	119.9°
C11	C16	C15	H2	120.4°	119.9°
C11	C16	H1	H2	118.8°	120.1°
C11	C16	C15	H3	173.3°	60.8°
C11	C16	C15	H4	67.5°	179.2°
C16	C11	C12	H7	173.4°	177.6°
C16	C11	C12	H8	67.4°	62.3°
C08	C09	C04	H12	180.0°	179.9°
C09	C08	C07	C06	0.0°	0.2°
C08	C09	C04	C02	180.0°	180.0°
C08	C09	C04	N05	0.0°	0.3°
C09	C08	C07	H11	180.0°	180.0°
C07	C08	C09	C04	0.0°	0.1°
C08	C07	C06	H11	180.0°	179.8°
C08	C07	C06	N05	0.0°	0.2°
C08	C07	C06	H10	180.0°	179.8°
C07	C08	C09	H12	180.0°	180.0°
N14	C15	C16	H3	120.4°	120.0°
N14	C15	C16	H4	120.4°	120.0°
N14	C15	C16	H1	173.3°	60.7°
N14	C15	C16	H2	67.5°	179.1°
N14	C15	H3	H4	118.8°	120.0°
C15	N14	C13	H5	173.3°	178.2°
C15	N14	C13	H6	67.5°	58.3°
C09	C04	C02	O03	0.4°	0.3°
C09	C04	C02	N05	180.0°	179.7°
C09	C04	N05	C06	0.0°	0.3°
C09	C04	C02	N01	179.6°	179.7°
C07	C06	N05	C04	0.0°	0.0°
C07	C06	N05	H10	180.0°	180.0°
C15	C16	H1	H2	118.8°	120.1°
C16	C15	H3	H4	118.8°	120.0°
C15	C16	C11	H9	67.0°	62.2°
C16	C15	N14	H15	67.5°	62.4°
O03	C02	C04	N01	180.0°	180.0°
O03	C02	C04	N05	179.5°	180.0°
O03	C02	N01	H13	0.0°	180.0°
O03	C02	N01	H14	180.0°	0.0°
C02	C04	N05	C06	180.0°	180.0°
C02	C04	C09	H12	0.0°	0.1°
C04	C02	N01	H13	180.0°	0.0°
C04	C02	N01	H14	0.0°	180.0°
N05	C04	C02	N01	0.5°	0.0°
C04	N05	C06	H10	180.0°	180.0°
N05	C04	C09	H12	180.0°	179.8°
N05	C06	C07	H11	180.0°	180.0°
C02	N01	H13	H14	180.0°	180.0°
H1	C16	C15	H3	66.3°	179.2°
H1	C16	C15	H4	52.9°	59.2°
H1	C16	C11	H9	53.4°	177.8°
H2	C16	C15	H3	52.9°	59.1°
H2	C16	C15	H4	172.1°	60.9°
H2	C16	C11	H9	172.6°	57.7°
H3	C15	N14	H15	52.9°	177.6°
H4	C15	N14	H15	172.1°	57.6°
H5	C13	C12	H7	66.2°	60.9°
H5	C13	C12	H8	53.0°	59.2°
H5	C13	N14	H15	53.0°	57.6°
H6	C13	C12	H7	53.0°	59.1°
H6	C13	C12	H8	172.2°	179.2°
H6	C13	N14	H15	172.2°	177.6°
H7	C12	C11	H9	53.4°	57.7°
H8	C12	C11	H9	172.6°	177.8°
H10	C06	C07	H11	0.0°	0.0°

Release date:	2022-09-28
Definition date:	2022-01-24
Last modified:	2022-09-23
Release status:	REL
Processing site:	PDBE
Derived from:	7QVT