5E0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	C12	doub	1.38Å	1.38Å	Aromatic
C13	C14	sing	1.38Å	1.38Å	Aromatic
C12	C11	sing	1.38Å	1.38Å	Aromatic
C14	C09	doub	1.39Å	1.38Å	Aromatic
C11	C10	doub	1.38Å	1.38Å	Aromatic
C09	C10	sing	1.39Å	1.38Å	Aromatic
C09	N08	sing	1.40Å	1.43Å
C03	C04	sing	1.51Å	1.51Å
C03	C02	sing	1.53Å	1.50Å
N01	C02	sing	1.47Å	1.42Å
N08	C04	sing	1.36Å	1.34Å	Aromatic
N08	N07	sing	1.28Å	1.30Å	Aromatic
C04	C05	doub	1.35Å	1.41Å	Aromatic
C02	C18	sing	1.51Å	1.50Å
O19	C18	doub	1.21Å	1.26Å
N07	C06	doub	1.32Å	1.32Å	Aromatic
C18	O20	sing	1.34Å	1.26Å
C05	C06	sing	1.42Å	1.41Å	Aromatic
C06	C15	sing	1.48Å	1.50Å
C15	O16	doub	1.22Å	1.26Å
C15	O17	sing	1.35Å	1.26Å
C10	H1	sing	1.08Å	1.08Å
C13	H2	sing	1.08Å	1.08Å
C14	H3	sing	1.08Å	1.08Å
N01	H4	sing	1.01Å	1.00Å
N01	H5	sing	1.01Å	1.00Å
C02	H7	sing	1.09Å	1.10Å
C03	H8	sing	1.09Å	1.10Å
C03	H9	sing	1.09Å	1.10Å
C05	H10	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
O17	H13	sing	0.97Å	0.95Å
O20	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	C13	C14	120.1°	120.1°
C13	C12	C11	119.8°	120.1°
C12	C13	H2	119.9°	119.9°
C13	C12	H12	120.1°	119.9°
C13	C14	C09	120.4°	119.9°
C14	C13	H2	120.0°	120.0°
C13	C14	H3	119.8°	120.1°
C12	C11	C10	119.9°	120.1°
C12	C11	H11	120.0°	119.9°
C11	C12	H12	120.1°	120.0°
C14	C09	C10	119.0°	119.9°
C14	C09	N08	123.0°	120.0°
C09	C14	H3	119.8°	120.0°
C11	C10	C09	120.7°	119.9°
C11	C10	H1	119.7°	120.1°
C10	C11	H11	120.0°	120.0°
C10	C09	N08	117.9°	120.1°
C09	C10	H1	119.7°	120.0°
C09	N08	C04	128.2°	124.9°
C09	N08	N07	122.4°	125.0°
C04	C03	C02	113.2°	109.5°
C03	C04	N08	128.5°	126.5°
C03	C04	C05	123.4°	126.4°
C04	C03	H8	108.6°	109.5°
C04	C03	H9	108.5°	109.5°
C03	C02	N01	108.3°	109.5°
C03	C02	C18	109.3°	109.5°
C03	C02	H7	109.9°	109.5°
C02	C03	H8	108.5°	109.5°
C02	C03	H9	108.5°	109.5°
N01	C02	C18	108.4°	109.5°
C02	N01	H4	109.5°	111.0°
C02	N01	H5	109.4°	111.0°
N01	C02	H7	111.1°	109.5°
C04	N08	N07	109.4°	110.1°
N08	C04	C05	108.2°	107.2°
N08	N07	C06	111.0°	110.1°
C04	C05	C06	103.4°	105.5°
C04	C05	H10	128.3°	127.2°
C02	C18	O19	119.5°	120.0°
C02	C18	O20	120.1°	120.0°
C18	C02	H7	109.9°	109.5°
O19	C18	O20	120.4°	119.9°
N07	C06	C05	108.0°	107.1°
N07	C06	C15	126.3°	126.4°
C18	O20	H14	109.5°	117.1°
C05	C06	C15	125.7°	126.4°
C06	C05	H10	128.3°	127.2°
C06	C15	O16	119.8°	120.0°
C06	C15	O17	119.4°	120.0°
O16	C15	O17	120.8°	120.0°
C15	O17	H13	109.5°	117.0°
H4	N01	H5	109.5°	111.0°
H8	C03	H9	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	C13	C14	H2	180.0°	179.7°
C13	C12	C11	H12	180.0°	179.8°
C12	C13	C14	C09	0.5°	0.3°
C13	C12	C11	C10	0.2°	0.1°
C12	C13	C14	H3	179.5°	180.0°
C13	C12	C11	H11	179.7°	180.0°
C14	C13	C12	C11	0.1°	0.2°
C13	C14	C09	H3	180.0°	179.7°
C13	C14	C09	C10	0.6°	0.0°
C13	C14	C09	N08	179.5°	179.9°
C14	C13	C12	H12	179.9°	180.0°
C12	C11	C10	H11	180.0°	179.9°
C12	C11	C10	C09	0.2°	0.3°
C12	C11	C10	H1	179.9°	180.0°
C11	C12	C13	H2	179.9°	179.9°
C14	C09	C10	C11	0.2°	0.2°
C14	C09	C10	N08	180.0°	180.0°
C14	C09	N08	C04	42.2°	44.6°
C14	C09	N08	N07	139.9°	135.7°
C14	C09	C10	H1	179.7°	180.0°
C09	C14	C13	H2	179.5°	180.0°
C11	C10	C09	H1	180.0°	179.7°
C11	C10	C09	N08	179.8°	179.8°
C10	C11	C12	H12	179.7°	179.7°
C10	C09	N08	C04	137.8°	135.5°
C10	C09	N08	N07	40.0°	44.3°
C10	C09	C14	H3	179.4°	179.8°
C09	C10	C11	H11	179.8°	179.8°
C09	N08	C04	C03	1.7°	0.0°
C09	N08	C04	N07	178.1°	179.8°
C09	N08	C04	C05	179.0°	179.7°
C09	N08	N07	C06	179.2°	179.7°
N08	C09	C10	H1	0.2°	0.0°
N08	C09	C14	H3	0.5°	0.2°
C04	C03	C02	H8	120.6°	120.1°
C04	C03	C02	H9	120.6°	120.0°
C04	C03	C02	N01	166.8°	65.0°
C03	C04	N08	C05	179.3°	179.7°
C03	C04	N08	N07	179.8°	179.8°
C04	C03	C02	C18	48.9°	175.0°
C03	C04	C05	C06	179.8°	180.0°
C04	C03	C02	H7	71.7°	55.0°
C04	C03	H8	H9	118.3°	120.0°
C03	C04	C05	H10	0.2°	0.0°
C03	C02	N01	C18	118.4°	120.0°
C03	C02	N01	H7	120.7°	120.0°
C02	C03	C04	N08	126.1°	96.3°
C02	C03	C04	C05	54.8°	84.0°
C03	C02	C18	H7	120.6°	120.0°
C03	C02	C18	O19	28.9°	100.1°
C03	C02	C18	O20	152.2°	80.0°
C03	C02	N01	H4	180.0°	60.0°
C03	C02	N01	H5	60.0°	176.0°
C02	C03	H8	H9	118.3°	119.9°
N01	C02	C18	H7	121.6°	120.0°
N01	C02	C18	O19	88.9°	19.9°
N01	C02	C18	O20	90.0°	160.0°
C02	N01	H4	H5	120.0°	123.9°
N01	C02	C03	H8	72.6°	174.9°
N01	C02	C03	H9	46.2°	55.1°
C04	N08	N07	C06	1.0°	0.5°
N08	C04	C05	C06	0.5°	0.3°
N08	C04	C03	H8	113.4°	143.6°
N08	C04	C03	H9	5.5°	23.7°
N08	C04	C05	H10	179.5°	179.7°
N07	N08	C04	C05	0.9°	0.5°
N08	N07	C06	C05	0.6°	0.3°
N08	N07	C06	C15	179.8°	179.8°
C04	C05	C06	N07	0.0°	0.0°
C04	C05	C06	H10	180.0°	180.0°
C04	C05	C06	C15	179.6°	179.9°
C05	C04	C03	H8	65.8°	36.0°
C05	C04	C03	H9	175.3°	156.0°
C02	C18	O19	O20	178.9°	179.9°
C18	C02	N01	H4	61.6°	60.0°
C18	C02	N01	H5	178.4°	64.0°
C18	C02	C03	H8	169.5°	54.9°
C18	C02	C03	H9	71.6°	65.0°
C02	C18	O20	H14	178.9°	180.0°
O19	C18	C02	H7	149.5°	140.0°
O19	C18	O20	H14	0.0°	0.1°
N07	C06	C05	C15	179.6°	179.9°
N07	C06	C15	O16	10.5°	179.9°
N07	C06	C15	O17	170.2°	0.1°
N07	C06	C05	H10	180.0°	180.0°
O20	C18	C02	H7	31.6°	39.9°
C05	C06	C15	O16	169.0°	0.0°
C05	C06	C15	O17	10.3°	180.0°
C06	C15	O16	O17	179.3°	180.0°
C15	C06	C05	H10	0.4°	0.1°
C06	C15	O17	H13	179.3°	180.0°
O16	C15	O17	H13	0.0°	0.0°
H1	C10	C11	H11	0.2°	0.0°
H2	C13	C14	H3	0.5°	0.3°
H2	C13	C12	H12	0.1°	0.3°
H4	N01	C02	H7	59.2°	180.0°
H5	N01	C02	H7	60.7°	56.0°
H7	C02	C03	H8	48.9°	65.0°
H7	C02	C03	H9	167.8°	175.1°
H11	C11	C12	H12	0.3°	0.2°

Release date:	2016-09-14
Definition date:	2015-09-14
Last modified:	2016-09-09
Release status:	REL
Processing site:	RCSB
Derived from:	5DEX