18P

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	N	doub	1.31Å	1.36Å	Aromatic
C	C17	sing	1.39Å	1.42Å	Aromatic
N	C14	sing	1.33Å	1.37Å	Aromatic
O	C13	doub	1.22Å	1.23Å
CL	C17	sing	1.74Å	1.72Å
C01	N01	sing	1.46Å	1.47Å
N01	C02	sing	1.46Å	1.46Å
N01	C06	sing	1.34Å	1.35Å
O01	C06	doub	1.21Å	1.24Å
C02	C03	sing	1.50Å	1.49Å
N02	C03	sing	1.37Å	1.33Å
C03	N03	doub	1.28Å	1.34Å
N03	C04	sing	1.46Å	1.47Å
C04	C05	sing	1.53Å	1.55Å
C04	C06	sing	1.50Å	1.55Å
C04	C07	sing	1.51Å	1.54Å
N04	C11	sing	1.40Å	1.41Å
N04	C13	sing	1.35Å	1.34Å
C07	C08	doub	1.38Å	1.41Å	Aromatic
C07	C12	sing	1.38Å	1.41Å	Aromatic
C08	C09	sing	1.38Å	1.41Å	Aromatic
C09	C10	doub	1.38Å	1.41Å	Aromatic
C10	C11	sing	1.39Å	1.41Å	Aromatic
C11	C12	doub	1.39Å	1.40Å	Aromatic
C13	C14	sing	1.48Å	1.50Å
C14	C15	doub	1.39Å	1.41Å	Aromatic
C15	C16	sing	1.39Å	1.40Å	Aromatic
C16	C17	doub	1.39Å	1.41Å	Aromatic
C	H	sing	1.08Å	1.08Å
C01	H01	sing	1.09Å	1.10Å
C01	H01A	sing	1.09Å	1.10Å
C01	H01B	sing	1.09Å	1.10Å
C02	H02	sing	1.09Å	1.10Å
C02	H02A	sing	1.09Å	1.10Å
N02	HN02	sing	0.97Å	1.00Å
N02	HN0A	sing	0.97Å	1.00Å
N04	HN04	sing	0.97Å	1.00Å
C05	H05	sing	1.09Å	1.10Å
C05	H05A	sing	1.09Å	1.10Å
C05	H05B	sing	1.09Å	1.10Å
C08	H08	sing	1.08Å	1.08Å
C09	H09	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C15	H15	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C	C17	122.7°	120.9°
C	N	C14	116.6°	121.7°
N	C	H	118.6°	119.6°
C	C17	CL	121.7°	120.3°
C	C17	C16	119.9°	119.3°
C17	C	H	118.6°	119.5°
N	C14	C13	118.5°	119.7°
N	C14	C15	123.7°	120.6°
O	C13	N04	126.7°	120.0°
O	C13	C14	119.7°	120.0°
CL	C17	C16	118.4°	120.3°
C01	N01	C02	115.0°	118.9°
C01	N01	C06	121.4°	118.9°
N01	C01	H01	109.5°	109.5°
N01	C01	H01A	109.4°	109.5°
N01	C01	H01B	109.5°	109.5°
C02	N01	C06	123.7°	122.2°
N01	C02	C03	114.1°	111.2°
N01	C02	H02	108.0°	109.1°
N01	C02	H02A	108.0°	109.1°
N01	C06	O01	119.9°	119.0°
N01	C06	C04	120.3°	122.0°
O01	C06	C04	119.8°	119.0°
C02	C03	N02	118.4°	118.3°
C02	C03	N03	121.5°	123.5°
C03	C02	H02	108.0°	109.1°
C03	C02	H02A	108.0°	109.2°
N02	C03	N03	118.7°	118.3°
C03	N02	HN02	120.0°	120.0°
C03	N02	HN0A	120.0°	120.0°
C03	N03	C04	124.3°	123.6°
N03	C04	C05	107.2°	109.1°
N03	C04	C06	112.1°	111.2°
N03	C04	C07	110.0°	109.1°
C05	C04	C06	112.9°	109.0°
C05	C04	C07	110.3°	109.1°
C04	C05	H05	109.5°	109.5°
C04	C05	H05A	109.5°	109.5°
C04	C05	H05B	109.5°	109.5°
C06	C04	C07	104.4°	109.3°
C04	C07	C08	121.9°	120.0°
C04	C07	C12	119.5°	120.0°
C11	N04	C13	129.2°	120.1°
N04	C11	C10	125.3°	120.0°
N04	C11	C12	115.0°	120.1°
C11	N04	HN04	115.4°	120.0°
N04	C13	C14	113.6°	120.1°
C13	N04	HN04	115.4°	119.9°
C08	C07	C12	118.6°	120.0°
C07	C08	C09	120.2°	120.2°
C07	C08	H08	119.9°	119.9°
C07	C12	C11	121.5°	120.0°
C07	C12	H12	119.3°	120.0°
C08	C09	C10	120.7°	120.0°
C09	C08	H08	119.9°	119.9°
C08	C09	H09	119.7°	120.0°
C09	C10	C11	119.4°	119.9°
C10	C09	H09	119.7°	120.0°
C09	C10	H10	120.3°	120.0°
C10	C11	C12	119.7°	119.9°
C11	C10	H10	120.3°	120.1°
C11	C12	H12	119.3°	120.0°
C13	C14	C15	117.8°	119.7°
C14	C15	C16	119.4°	119.1°
C14	C15	H15	120.3°	120.5°
C15	C16	C17	117.7°	118.5°
C16	C15	H15	120.3°	120.5°
C15	C16	H16	121.2°	120.7°
C17	C16	H16	121.2°	120.8°
H01	C01	H01A	109.5°	109.5°
H01	C01	H01B	109.4°	109.4°
H01A	C01	H01B	109.5°	109.5°
H02	C02	H02A	110.9°	109.1°
HN02	N02	HN0A	120.0°	120.0°
H05	C05	H05A	109.4°	109.5°
H05	C05	H05B	109.4°	109.5°
H05A	C05	H05B	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C	C17	H	180.0°	179.7°
N	C	C17	CL	179.9°	180.0°
C	N	C14	C13	179.8°	180.0°
C	N	C14	C15	0.7°	0.0°
N	C	C17	C16	0.5°	0.0°
C17	C	N	C14	0.4°	0.0°
C	C17	CL	C16	179.5°	180.0°
C	C17	C16	C15	1.0°	0.1°
C	C17	C16	H16	179.0°	180.0°
N	C14	C13	O	19.0°	180.0°
N	C14	C13	N04	162.1°	0.0°
N	C14	C13	C15	179.6°	180.0°
N	C14	C15	C16	1.1°	0.1°
C14	N	C	H	179.7°	179.7°
N	C14	C15	H15	178.9°	180.0°
O	C13	N04	C11	2.7°	5.3°
O	C13	N04	C14	178.8°	180.0°
O	C13	C14	C15	161.5°	0.0°
O	C13	N04	HN04	177.3°	174.8°
CL	C17	C16	C15	179.5°	180.0°
CL	C17	C	H	0.1°	0.3°
CL	C17	C16	H16	0.5°	0.1°
C01	N01	C02	C06	179.1°	179.7°
C01	N01	C06	O01	8.3°	0.2°
C01	N01	C02	C03	170.9°	160.7°
C01	N01	C06	C04	170.9°	179.8°
N01	C01	H01	H01A	120.0°	120.0°
N01	C01	H01	H01B	120.0°	120.0°
N01	C01	H01A	H01B	120.0°	120.0°
C01	N01	C02	H02	69.2°	78.9°
C01	N01	C02	H02A	50.8°	40.2°
C02	N01	C06	O01	170.7°	179.8°
N01	C02	C03	H02	120.0°	120.4°
N01	C02	C03	H02A	120.0°	120.4°
N01	C02	C03	N02	175.0°	160.1°
N01	C02	C03	N03	18.6°	19.9°
C02	N01	C06	C04	10.1°	0.5°
C02	N01	C01	H01	180.0°	0.0°
C02	N01	C01	H01A	60.0°	120.0°
C02	N01	C01	H01B	60.0°	120.0°
N01	C02	H02	H02A	118.1°	119.1°
N01	C06	O01	C04	179.2°	179.7°
C06	N01	C02	C03	8.2°	19.0°
N01	C06	C04	N03	18.4°	20.0°
N01	C06	C04	C05	139.6°	140.3°
N01	C06	C04	C07	100.6°	100.5°
C06	N01	C01	H01	0.9°	179.7°
C06	N01	C01	H01A	119.1°	60.3°
C06	N01	C01	H01B	120.9°	59.7°
C06	N01	C02	H02	111.7°	101.4°
C06	N01	C02	H02A	128.3°	139.5°
O01	C06	C04	N03	162.5°	160.3°
O01	C06	C04	C05	41.3°	40.0°
O01	C06	C04	C07	78.6°	79.2°
C02	C03	N02	N03	166.8°	180.0°
C02	C03	N03	C04	9.9°	0.0°
C03	C02	H02	H02A	118.1°	119.2°
C02	C03	N02	HN02	166.8°	0.0°
C02	C03	N02	HN0A	13.2°	180.0°
N02	C03	N03	C04	176.2°	179.9°
N02	C03	C02	H02	65.0°	79.5°
N02	C03	C02	H02A	55.0°	39.6°
C03	N02	HN02	HN0A	180.0°	180.0°
C03	N03	C04	C05	132.9°	140.0°
C03	N03	C04	C06	8.4°	19.8°
C03	N03	C04	C07	107.2°	100.8°
N03	C03	C02	H02	101.3°	100.5°
N03	C03	C02	H02A	138.6°	140.3°
N03	C03	N02	HN02	0.0°	179.9°
N03	C03	N02	HN0A	180.0°	0.1°
N03	C04	C05	C06	123.9°	121.6°
N03	C04	C05	C07	119.7°	119.1°
N03	C04	C06	C07	119.0°	120.5°
N03	C04	C07	C08	155.6°	150.0°
N03	C04	C07	C12	23.8°	29.7°
N03	C04	C05	H05	180.0°	60.0°
N03	C04	C05	H05A	60.0°	179.9°
N03	C04	C05	H05B	60.0°	60.0°
C05	C04	C06	C07	119.8°	119.2°
C05	C04	C07	C08	37.6°	90.8°
C05	C04	C07	C12	141.8°	89.4°
C04	C05	H05	H05A	120.0°	120.0°
C04	C05	H05	H05B	120.0°	120.0°
C04	C05	H05A	H05B	120.0°	120.0°
C06	C04	C07	C08	84.0°	28.3°
C06	C04	C07	C12	96.6°	151.5°
C06	C04	C05	H05	56.1°	61.6°
C06	C04	C05	H05A	176.1°	58.5°
C06	C04	C05	H05B	63.9°	178.4°
C04	C07	C08	C12	179.4°	179.8°
C04	C07	C08	C09	179.3°	180.0°
C04	C07	C12	C11	179.5°	179.7°
C07	C04	C05	H05	60.3°	179.2°
C07	C04	C05	H05A	59.7°	60.8°
C07	C04	C05	H05B	179.7°	59.1°
C04	C07	C08	H08	0.7°	0.0°
C04	C07	C12	H12	0.5°	0.0°
C11	N04	C13	HN04	180.0°	180.0°
N04	C11	C12	C07	178.7°	179.7°
N04	C11	C10	C09	179.4°	180.0°
N04	C11	C10	C12	177.9°	179.7°
C11	N04	C13	C14	178.5°	174.7°
N04	C11	C10	H10	0.6°	0.1°
N04	C11	C12	H12	1.3°	0.0°
C13	N04	C11	C10	20.4°	33.3°
C13	N04	C11	C12	157.6°	146.4°
N04	C13	C14	C15	17.4°	180.0°
C07	C08	C09	H08	180.0°	180.0°
C07	C08	C09	C10	1.1°	0.0°
C08	C07	C12	C11	0.1°	0.5°
C07	C08	C09	H09	178.9°	180.0°
C08	C07	C12	H12	179.9°	179.7°
C12	C07	C08	C09	0.1°	0.3°
C07	C12	C11	C10	0.6°	0.5°
C07	C12	C11	H12	180.0°	179.8°
C12	C07	C08	H08	179.9°	179.8°
C08	C09	C10	H09	180.0°	180.0°
C08	C09	C10	C11	1.8°	0.0°
C08	C09	C10	H10	178.2°	180.0°
C09	C10	C11	H10	180.0°	179.9°
C09	C10	C11	C12	1.5°	0.3°
C10	C09	C08	H08	178.9°	180.0°
C10	C11	N04	HN04	159.6°	146.7°
C11	C10	C09	H09	178.2°	180.0°
C10	C11	C12	H12	179.4°	179.7°
C12	C11	N04	HN04	22.4°	33.6°
C12	C11	C10	H10	178.5°	179.8°
C13	C14	C15	C16	179.3°	180.0°
C14	C13	N04	HN04	1.5°	5.2°
C13	C14	C15	H15	0.7°	0.0°
C14	C15	C16	H15	180.0°	179.9°
C14	C15	C16	C17	1.2°	0.1°
C14	C15	C16	H16	178.7°	180.0°
C15	C16	C17	H16	180.0°	179.9°
C16	C17	C	H	179.5°	179.8°
C17	C16	C15	H15	178.8°	180.0°
H01	C01	H01A	H01B	120.0°	120.0°
H05	C05	H05A	H05B	120.0°	120.0°
H08	C08	C09	H09	1.1°	0.1°
H09	C09	C10	H10	1.8°	0.1°
H15	C15	C16	H16	1.3°	0.1°

Definition date:	2011-10-13
Last modified:	2011-11-04
Release status:	REL
Processing site:	RCSB
Derived from:	3U6A