FJ3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N15	C13	sing	1.38Å	1.44Å
O12	C13	sing	1.34Å	1.31Å	Aromatic
O12	N11	sing	1.21Å	1.30Å	Aromatic
C13	C14	doub	1.36Å	1.44Å	Aromatic
N11	C10	doub	1.31Å	1.34Å	Aromatic
C14	C10	sing	1.42Å	1.46Å	Aromatic
C10	C04	sing	1.48Å	1.50Å
C04	C05	doub	1.39Å	1.39Å	Aromatic
C04	C03	sing	1.40Å	1.40Å	Aromatic
O09	C03	sing	1.36Å	1.38Å
C05	C06	sing	1.38Å	1.38Å	Aromatic
C03	C02	doub	1.38Å	1.39Å	Aromatic
C16	C07	sing	1.53Å	1.51Å
C06	C07	sing	1.51Å	1.51Å
C06	C01	doub	1.39Å	1.39Å	Aromatic
C17	C07	sing	1.53Å	1.50Å
C02	C01	sing	1.39Å	1.40Å	Aromatic
C01	O08	sing	1.36Å	1.38Å
C02	H1	sing	1.08Å	1.08Å
C05	H2	sing	1.08Å	1.08Å
C07	H3	sing	1.09Å	1.10Å
O08	H4	sing	0.97Å	0.95Å
O09	H5	sing	0.97Å	0.95Å
C14	H6	sing	1.08Å	1.08Å
N15	H7	sing	0.97Å	1.00Å
N15	H8	sing	0.97Å	1.00Å
C16	H9	sing	1.09Å	1.10Å
C16	H10	sing	1.09Å	1.10Å
C16	H11	sing	1.09Å	1.10Å
C17	H12	sing	1.09Å	1.10Å
C17	H13	sing	1.09Å	1.10Å
C17	H14	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N15	C13	O12	126.5°	126.8°
N15	C13	C14	125.9°	126.8°
C13	N15	H7	109.5°	120.0°
C13	N15	H8	109.5°	120.0°
C13	O12	N11	112.9°	111.7°
O12	C13	C14	107.6°	106.5°
O12	N11	C10	109.7°	111.7°
C13	C14	C10	102.4°	103.9°
C13	C14	H6	128.8°	128.1°
N11	C10	C14	107.3°	106.2°
N11	C10	C04	127.6°	126.9°
C14	C10	C04	125.1°	126.9°
C10	C14	H6	128.8°	128.0°
C10	C04	C05	117.3°	120.0°
C10	C04	C03	121.8°	120.1°
C05	C04	C03	120.9°	119.8°
C04	C05	C06	119.7°	120.0°
C04	C05	H2	120.1°	120.0°
C04	C03	O09	121.2°	120.1°
C04	C03	C02	119.3°	119.9°
O09	C03	C02	119.5°	120.0°
C03	O09	H5	109.5°	114.0°
C05	C06	C07	118.9°	119.9°
C05	C06	C01	119.9°	120.2°
C06	C05	H2	120.2°	120.0°
C03	C02	C01	119.6°	120.0°
C03	C02	H1	120.2°	120.1°
C16	C07	C06	109.1°	109.4°
C16	C07	C17	112.1°	109.5°
C16	C07	H3	106.4°	109.4°
C07	C16	H9	109.5°	109.4°
C07	C16	H10	109.5°	109.4°
C07	C16	H11	109.5°	109.5°
C07	C06	C01	120.8°	119.9°
C06	C07	C17	115.7°	109.5°
C06	C07	H3	106.5°	109.4°
C06	C01	C02	120.5°	120.2°
C06	C01	O08	119.7°	119.9°
C17	C07	H3	106.5°	109.5°
C07	C17	H12	109.5°	109.5°
C07	C17	H13	109.5°	109.4°
C07	C17	H14	109.4°	109.5°
C02	C01	O08	119.6°	119.9°
C01	C02	H1	120.2°	120.0°
C01	O08	H4	109.5°	114.0°
H7	N15	H8	109.5°	120.0°
H9	C16	H10	109.5°	109.4°
H9	C16	H11	109.5°	109.5°
H10	C16	H11	109.4°	109.5°
H12	C17	H13	109.4°	109.5°
H12	C17	H14	109.5°	109.5°
H13	C17	H14	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N15	C13	O12	C14	179.4°	179.7°
N15	C13	O12	N11	179.5°	180.0°
N15	C13	C14	C10	179.8°	179.9°
N15	C13	C14	H6	0.2°	0.2°
C13	N15	H7	H8	120.0°	180.0°
C13	O12	N11	C10	0.3°	0.0°
O12	C13	C14	C10	0.3°	0.4°
O12	C13	C14	H6	179.7°	180.0°
O12	C13	N15	H7	0.0°	0.1°
O12	C13	N15	H8	120.0°	180.0°
N11	O12	C13	C14	0.1°	0.2°
O12	N11	C10	C14	0.5°	0.3°
O12	N11	C10	C04	179.4°	180.0°
C13	C14	C10	N11	0.5°	0.4°
C13	C14	C10	H6	180.0°	179.6°
C13	C14	C10	C04	179.4°	179.9°
C14	C13	N15	H7	179.3°	179.6°
C14	C13	N15	H8	60.7°	0.3°
N11	C10	C14	C04	178.9°	179.7°
N11	C10	C04	C05	137.1°	0.1°
N11	C10	C04	C03	44.2°	179.7°
N11	C10	C14	H6	179.5°	179.9°
C14	C10	C04	C05	41.6°	179.7°
C14	C10	C04	C03	137.1°	0.1°
C10	C04	C05	C03	178.7°	179.8°
C10	C04	C03	O09	4.7°	0.2°
C10	C04	C05	C06	178.4°	180.0°
C10	C04	C03	C02	178.7°	179.7°
C10	C04	C05	H2	1.6°	0.2°
C04	C10	C14	H6	0.6°	0.2°
C05	C04	C03	O09	176.6°	180.0°
C04	C05	C06	H2	180.0°	179.8°
C05	C04	C03	C02	0.1°	0.0°
C04	C05	C06	C07	174.3°	180.0°
C04	C05	C06	C01	1.1°	0.5°
C04	C03	O09	C02	176.5°	179.9°
C03	C04	C05	C06	0.4°	0.2°
C04	C03	C02	C01	0.2°	0.0°
C04	C03	C02	H1	179.8°	180.0°
C03	C04	C05	H2	179.7°	180.0°
C04	C03	O09	H5	180.0°	90.0°
O09	C03	C02	C01	176.4°	179.9°
O09	C03	C02	H1	3.6°	0.0°
C05	C06	C07	C16	80.1°	60.1°
C05	C06	C07	C01	173.1°	179.6°
C05	C06	C07	C17	47.3°	60.0°
C05	C06	C01	C02	1.4°	0.5°
C05	C06	C01	O08	177.7°	179.8°
C05	C06	C07	H3	165.4°	180.0°
C03	C02	C01	C06	1.0°	0.3°
C03	C02	C01	H1	180.0°	180.0°
C03	C02	C01	O08	177.3°	180.0°
C02	C03	O09	H5	3.4°	90.0°
C16	C07	C06	C17	127.5°	120.1°
C16	C07	C06	H3	114.5°	119.9°
C16	C07	C06	C01	93.0°	119.5°
C16	C07	C17	H3	116.0°	120.0°
C07	C16	H9	H10	120.0°	119.9°
C07	C16	H9	H11	120.0°	120.1°
C07	C16	H10	H11	120.0°	120.1°
C16	C07	C17	H12	180.0°	60.0°
C16	C07	C17	H13	60.0°	60.0°
C16	C07	C17	H14	60.0°	180.0°
C06	C07	C17	H3	118.0°	120.0°
C07	C06	C01	C02	174.5°	179.9°
C07	C06	C01	O08	9.2°	0.2°
C07	C06	C05	H2	5.7°	0.1°
C06	C07	C16	H9	180.0°	60.1°
C06	C07	C16	H10	60.0°	180.0°
C06	C07	C16	H11	60.0°	60.0°
C06	C07	C17	H12	54.1°	180.0°
C06	C07	C17	H13	174.1°	60.0°
C06	C07	C17	H14	66.0°	60.0°
C01	C06	C07	C17	139.6°	120.5°
C06	C01	C02	O08	176.3°	179.7°
C06	C01	C02	H1	179.0°	179.8°
C01	C06	C05	H2	178.9°	179.7°
C01	C06	C07	H3	21.5°	0.5°
C06	C01	O08	H4	180.0°	90.3°
C17	C07	C16	H9	50.6°	60.0°
C17	C07	C16	H10	170.6°	59.9°
C17	C07	C16	H11	69.5°	180.0°
C07	C17	H12	H13	120.0°	119.9°
C07	C17	H12	H14	120.0°	120.0°
C07	C17	H13	H14	120.0°	120.0°
C02	C01	O08	H4	3.7°	90.0°
O08	C01	C02	H1	2.7°	0.0°
H3	C07	C16	H9	65.5°	180.0°
H3	C07	C16	H10	54.5°	60.1°
H3	C07	C16	H11	174.5°	60.0°
H3	C07	C17	H12	64.0°	60.0°
H3	C07	C17	H13	56.0°	180.0°
H3	C07	C17	H14	176.0°	60.0°
H9	C16	H10	H11	120.0°	120.0°
H12	C17	H13	H14	120.0°	120.0°

Release date:	2014-07-30
Definition date:	2013-08-16
Last modified:	2014-07-25
Release status:	REL
Processing site:	PDBJ
Derived from:	4LWF