0T3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N17	C16	trip	1.14Å	1.14Å
C16	C13	sing	1.43Å	1.44Å
C13	C14	doub	1.40Å	1.39Å	Aromatic
C13	C12	sing	1.40Å	1.39Å	Aromatic
C14	C15	sing	1.38Å	1.39Å	Aromatic
C12	C11	doub	1.38Å	1.38Å	Aromatic
C15	C10	doub	1.38Å	1.39Å	Aromatic
C11	C10	sing	1.38Å	1.39Å	Aromatic
C10	C03	sing	1.51Å	1.52Å
C01	C02	sing	1.53Å	1.52Å
C01	C09	sing	1.53Å	1.52Å
C02	C03	sing	1.53Å	1.53Å
C03	N04	sing	1.46Å	1.48Å
C09	C08	sing	1.51Å	1.50Å
N04	C08	sing	1.37Å	1.38Å	Aromatic
N04	C05	sing	1.34Å	1.37Å	Aromatic
C08	C07	doub	1.34Å	1.37Å	Aromatic
C05	N06	doub	1.31Å	1.32Å	Aromatic
C07	N06	sing	1.34Å	1.38Å	Aromatic
C01	H1	sing	1.09Å	1.10Å
C01	H2	sing	1.09Å	1.10Å
C02	H3	sing	1.09Å	1.10Å
C02	H4	sing	1.09Å	1.10Å
C03	H5	sing	1.09Å	1.10Å
C05	H6	sing	1.08Å	1.08Å
C07	H7	sing	1.08Å	1.08Å
C09	H8	sing	1.09Å	1.10Å
C09	H9	sing	1.09Å	1.10Å
C11	H10	sing	1.08Å	1.08Å
C12	H11	sing	1.08Å	1.08Å
C14	H12	sing	1.08Å	1.08Å
C15	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N17	C16	C13	178.4°	179.9°
C16	C13	C14	120.6°	120.1°
C16	C13	C12	120.1°	120.1°
C14	C13	C12	119.3°	119.7°
C13	C14	C15	119.8°	119.8°
C13	C14	H12	120.1°	120.1°
C13	C12	C11	120.2°	119.9°
C13	C12	H11	119.9°	120.1°
C14	C15	C10	121.1°	120.1°
C15	C14	H12	120.1°	120.1°
C14	C15	H13	119.5°	119.9°
C12	C11	C10	121.3°	120.1°
C12	C11	H10	119.3°	120.0°
C11	C12	H11	119.9°	120.0°
C15	C10	C11	118.4°	120.3°
C15	C10	C03	122.2°	119.8°
C10	C15	H13	119.5°	120.0°
C11	C10	C03	119.4°	119.9°
C10	C11	H10	119.4°	119.9°
C10	C03	C02	110.4°	109.6°
C10	C03	N04	112.3°	109.7°
C10	C03	H5	107.4°	109.7°
C02	C01	C09	110.8°	109.3°
C01	C02	C03	111.6°	109.7°
C02	C01	H1	109.2°	109.5°
C02	C01	H2	109.2°	109.5°
C01	C02	H3	109.0°	109.4°
C01	C02	H4	108.9°	109.4°
C01	C09	C08	112.7°	108.1°
C09	C01	H1	109.1°	109.5°
C09	C01	H2	109.2°	109.5°
C01	C09	H8	108.7°	109.7°
C01	C09	H9	108.7°	109.7°
C02	C03	N04	111.4°	108.7°
C03	C02	H3	108.9°	109.4°
C03	C02	H4	108.9°	109.5°
C02	C03	H5	107.2°	109.6°
C03	N04	C08	124.6°	124.4°
C03	N04	C05	128.3°	128.4°
N04	C03	H5	107.8°	109.6°
C09	C08	N04	121.4°	124.2°
C09	C08	C07	133.2°	128.7°
C08	C09	H8	108.6°	109.8°
C08	C09	H9	108.7°	109.7°
C08	N04	C05	107.1°	107.2°
N04	C08	C07	105.4°	107.1°
N04	C05	N06	111.7°	108.5°
N04	C05	H6	124.2°	125.8°
C08	C07	N06	110.6°	107.8°
C08	C07	H7	124.7°	126.1°
C05	N06	C07	105.2°	109.4°
N06	C05	H6	124.2°	125.7°
N06	C07	H7	124.7°	126.1°
H1	C01	H2	109.4°	109.5°
H3	C02	H4	109.5°	109.3°
H8	C09	H9	109.5°	109.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N17	C16	C13	C14	174.3°	38.8°
N17	C16	C13	C12	4.3°	141.5°
C16	C13	C14	C12	178.6°	179.7°
C16	C13	C14	C15	179.7°	180.0°
C16	C13	C12	C11	179.7°	179.7°
C16	C13	C12	H11	0.3°	0.3°
C16	C13	C14	H12	0.3°	0.4°
C13	C14	C15	H12	180.0°	179.7°
C14	C13	C12	C11	1.1°	0.1°
C13	C14	C15	C10	0.0°	0.5°
C14	C13	C12	H11	178.9°	180.0°
C13	C14	C15	H13	179.9°	179.9°
C12	C13	C14	C15	1.1°	0.3°
C13	C12	C11	H11	180.0°	180.0°
C13	C12	C11	C10	0.0°	0.1°
C13	C12	C11	H10	180.0°	180.0°
C12	C13	C14	H12	178.9°	180.0°
C14	C15	C10	H13	180.0°	179.5°
C14	C15	C10	C11	1.0°	0.5°
C14	C15	C10	C03	180.0°	179.8°
C12	C11	C10	C15	1.1°	0.3°
C12	C11	C10	H10	180.0°	179.9°
C12	C11	C10	C03	180.0°	180.0°
C15	C10	C11	C03	178.9°	179.7°
C15	C10	C03	C02	112.7°	60.3°
C15	C10	C03	N04	12.3°	58.9°
C15	C10	C03	H5	130.7°	179.3°
C15	C10	C11	H10	179.0°	179.8°
C10	C15	C14	H12	179.9°	179.8°
C11	C10	C03	C02	66.2°	120.0°
C11	C10	C03	N04	168.8°	120.8°
C11	C10	C03	H5	50.4°	0.4°
C10	C11	C12	H11	180.0°	180.0°
C11	C10	C15	H13	179.0°	179.9°
C10	C03	C02	C01	81.3°	170.6°
C10	C03	C02	N04	125.6°	119.8°
C10	C03	C02	H5	116.7°	120.4°
C10	C03	N04	H5	118.1°	120.4°
C10	C03	N04	C08	110.3°	137.0°
C10	C03	N04	C05	71.4°	42.9°
C10	C03	C02	H3	39.1°	50.5°
C10	C03	C02	H4	158.4°	69.3°
C03	C10	C11	H10	0.0°	0.1°
C03	C10	C15	H13	0.1°	0.2°
C02	C01	C09	H1	120.2°	120.0°
C02	C01	C09	H2	120.2°	120.0°
C01	C02	C03	H3	120.3°	120.1°
C01	C02	C03	H4	120.3°	120.1°
C01	C02	C03	N04	44.3°	50.7°
C02	C01	C09	C08	45.4°	48.7°
C02	C01	H1	H2	119.4°	120.1°
C01	C02	H3	H4	119.0°	119.9°
C01	C02	C03	H5	162.1°	69.0°
C02	C01	C09	H8	75.0°	168.3°
C02	C01	C09	H9	165.9°	70.9°
C09	C01	C02	C03	61.3°	69.9°
C01	C09	C08	H8	120.5°	119.7°
C01	C09	C08	H9	120.5°	119.6°
C01	C09	C08	N04	15.6°	15.6°
C01	C09	C08	C07	164.8°	164.1°
C09	C01	H1	H2	119.4°	120.1°
C09	C01	C02	H3	178.4°	50.2°
C09	C01	C02	H4	59.0°	170.0°
C01	C09	H8	H9	118.6°	120.7°
C02	C03	N04	H5	117.4°	119.7°
C02	C03	N04	C08	14.3°	17.1°
C02	C03	N04	C05	164.1°	162.7°
C03	C02	C01	H1	178.5°	50.0°
C03	C02	C01	H2	58.9°	170.2°
C03	C02	H3	H4	119.0°	119.9°
C03	N04	C08	C09	0.2°	0.3°
C03	N04	C08	C05	178.6°	179.8°
C03	N04	C08	C07	179.5°	179.8°
C03	N04	C05	N06	179.9°	179.8°
N04	C03	C02	H3	164.6°	69.4°
N04	C03	C02	H4	76.0°	170.8°
C03	N04	C05	H6	0.1°	0.3°
C09	C08	N04	C07	179.7°	179.8°
C09	C08	N04	C05	178.9°	179.8°
C09	C08	C07	N06	179.7°	179.8°
C08	C09	C01	H1	165.6°	71.3°
C08	C09	C01	H2	74.8°	168.6°
C09	C08	C07	H7	0.3°	0.3°
C08	C09	H8	H9	118.5°	120.7°
C08	N04	C05	N06	1.5°	0.0°
N04	C08	C07	N06	0.0°	0.0°
C08	N04	C03	H5	131.7°	102.6°
C08	N04	C05	H6	178.5°	179.9°
N04	C08	C07	H7	179.9°	179.9°
N04	C08	C09	H8	104.9°	135.3°
N04	C08	C09	H9	136.1°	104.0°
C05	N04	C08	C07	0.8°	0.0°
N04	C05	N06	H6	180.0°	179.9°
N04	C05	N06	C07	1.5°	0.0°
C05	N04	C03	H5	46.7°	77.6°
C08	C07	N06	C05	0.9°	0.0°
C08	C07	N06	H7	180.0°	179.9°
C07	C08	C09	H8	74.8°	44.5°
C07	C08	C09	H9	44.3°	76.2°
C05	N06	C07	H7	179.1°	179.9°
C07	N06	C05	H6	178.5°	179.9°
H1	C01	C02	H3	58.2°	170.1°
H1	C01	C02	H4	61.2°	70.1°
H1	C01	C09	H8	45.2°	48.4°
H1	C01	C09	H9	73.9°	169.1°
H2	C01	C02	H3	61.4°	69.8°
H2	C01	C02	H4	179.2°	50.0°
H2	C01	C09	H8	164.7°	71.7°
H2	C01	C09	H9	45.7°	49.0°
H3	C02	C03	H5	77.6°	170.9°
H4	C02	C03	H5	41.8°	51.1°
H10	C11	C12	H11	0.0°	0.0°
H12	C14	C15	H13	0.1°	0.3°

Release date:	2013-01-25
Definition date:	2012-05-30
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	4FDH