2P9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O41	C02	doub	1.22Å	1.26Å
C02	O01	sing	1.35Å	1.25Å
C02	C03	sing	1.48Å	1.48Å
C03	C40	sing	1.41Å	1.42Å	Aromatic
C03	N04	doub	1.32Å	1.32Å	Aromatic
C40	C14	doub	1.37Å	1.42Å	Aromatic
O32	C30	doub	1.22Å	1.25Å
O31	C30	sing	1.35Å	1.26Å
C30	C29	sing	1.46Å	1.48Å
N04	N05	sing	1.28Å	1.32Å	Aromatic
C39	C38	doub	1.38Å	1.39Å	Aromatic
C39	C15	sing	1.40Å	1.39Å	Aromatic
C14	N05	sing	1.37Å	1.33Å	Aromatic
C14	C15	sing	1.48Å	1.50Å
C38	C18	sing	1.38Å	1.39Å	Aromatic
N05	C06	sing	1.40Å	1.42Å
C15	C16	doub	1.39Å	1.39Å	Aromatic
CL3	C35	sing	1.74Å	1.74Å
C29	O33	sing	1.35Å	1.30Å	Aromatic
C29	C28	doub	1.38Å	1.39Å	Aromatic
O33	C26	sing	1.34Å	1.31Å	Aromatic
C34	C35	doub	1.38Å	1.38Å	Aromatic
C34	C25	sing	1.40Å	1.38Å	Aromatic
C35	C22	sing	1.40Å	1.39Å	Aromatic
C18	C19	sing	1.51Å	1.50Å
C18	C17	doub	1.38Å	1.39Å	Aromatic
C28	C27	sing	1.40Å	1.44Å	Aromatic
C26	C25	sing	1.48Å	1.48Å
C26	C27	doub	1.37Å	1.39Å	Aromatic
C16	C17	sing	1.38Å	1.39Å	Aromatic
C06	C07	doub	1.39Å	1.38Å	Aromatic
C06	C13	sing	1.39Å	1.38Å	Aromatic
N20	C19	sing	1.46Å	1.44Å
N20	C21	sing	1.35Å	1.43Å
C25	C24	doub	1.40Å	1.39Å	Aromatic
C07	C08	sing	1.38Å	1.38Å	Aromatic
C22	C21	sing	1.47Å	1.50Å
C22	C23	doub	1.40Å	1.39Å	Aromatic
C13	C12	doub	1.38Å	1.39Å	Aromatic
C21	S37	doub	1.71Å	1.67Å
C24	C23	sing	1.37Å	1.40Å	Aromatic
C08	CL2	sing	1.74Å	1.73Å
C08	C10	doub	1.39Å	1.40Å	Aromatic
C12	C10	sing	1.38Å	1.39Å	Aromatic
C10	CL	sing	1.74Å	1.73Å
O01	H1	sing	0.97Å	0.95Å
C07	H2	sing	1.08Å	1.08Å
C12	H3	sing	1.08Å	1.08Å
C13	H4	sing	1.08Å	1.08Å
C16	H5	sing	1.08Å	1.08Å
C17	H6	sing	1.08Å	1.08Å
C19	H7	sing	1.09Å	1.10Å
C19	H8	sing	1.09Å	1.10Å
N20	H9	sing	0.97Å	1.00Å
C23	H10	sing	1.08Å	1.08Å
C24	H11	sing	1.08Å	1.08Å
C27	H12	sing	1.08Å	1.08Å
C28	H13	sing	1.08Å	1.08Å
O31	H14	sing	0.97Å	0.95Å
C34	H15	sing	1.08Å	1.08Å
C38	H16	sing	1.08Å	1.08Å
C39	H17	sing	1.08Å	1.08Å
C40	H18	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O41	C02	O01	122.2°	120.0°
O41	C02	C03	119.7°	120.0°
O01	C02	C03	118.0°	120.0°
C02	O01	H1	109.5°	117.0°
C02	C03	C40	127.5°	126.3°
C02	C03	N04	123.6°	126.3°
C40	C03	N04	108.9°	107.3°
C03	C40	C14	103.8°	105.5°
C03	C40	H18	128.1°	127.3°
C03	N04	N05	109.0°	110.4°
C40	C14	N05	106.7°	106.8°
C40	C14	C15	124.7°	126.6°
C14	C40	H18	128.1°	127.2°
O32	C30	O31	123.2°	120.0°
O32	C30	C29	117.3°	120.0°
O31	C30	C29	119.4°	120.0°
C30	O31	H14	109.5°	114.1°
C30	C29	O33	122.4°	125.9°
C30	C29	C28	127.7°	125.9°
N04	N05	C14	111.5°	109.9°
N04	N05	C06	123.2°	125.0°
C38	C39	C15	120.5°	119.8°
C39	C38	C18	119.6°	120.2°
C39	C38	H16	120.2°	119.9°
C38	C39	H17	119.8°	120.1°
C39	C15	C14	120.1°	120.1°
C39	C15	C16	119.5°	119.7°
C15	C39	H17	119.7°	120.0°
N05	C14	C15	128.6°	126.6°
C14	N05	C06	125.2°	125.1°
C14	C15	C16	120.3°	120.1°
C38	C18	C19	120.9°	119.9°
C38	C18	C17	119.7°	120.3°
C18	C38	H16	120.2°	119.9°
N05	C06	C07	118.9°	120.1°
N05	C06	C13	120.9°	120.0°
C15	C16	C17	120.1°	119.9°
C15	C16	H5	120.0°	120.1°
CL3	C35	C34	118.0°	120.1°
CL3	C35	C22	122.7°	120.1°
O33	C29	C28	110.0°	108.1°
C29	O33	C26	110.8°	109.4°
C29	C28	C27	104.7°	106.8°
C29	C28	H13	127.6°	126.6°
O33	C26	C25	121.1°	125.6°
O33	C26	C27	109.7°	108.7°
C35	C34	C25	120.7°	119.8°
C34	C35	C22	119.3°	119.8°
C35	C34	H15	119.7°	120.0°
C34	C25	C26	115.0°	120.0°
C34	C25	C24	120.8°	120.0°
C25	C34	H15	119.7°	120.1°
C35	C22	C21	120.7°	120.0°
C35	C22	C23	120.2°	119.9°
C19	C18	C17	119.3°	119.8°
C18	C19	N20	116.8°	109.5°
C18	C19	H7	107.6°	109.4°
C18	C19	H8	107.6°	109.5°
C18	C17	C16	120.5°	120.1°
C18	C17	H6	119.7°	119.9°
C28	C27	C26	104.8°	107.1°
C28	C27	H12	127.6°	126.5°
C27	C28	H13	127.7°	126.6°
C25	C26	C27	129.2°	125.7°
C26	C25	C24	124.1°	120.0°
C26	C27	H12	127.6°	126.5°
C17	C16	H5	119.9°	120.0°
C16	C17	H6	119.8°	120.0°
C07	C06	C13	120.2°	119.9°
C06	C07	C08	120.0°	119.9°
C06	C07	H2	120.0°	120.1°
C06	C13	C12	119.9°	119.9°
C06	C13	H4	120.1°	120.1°
C19	N20	C21	113.7°	120.0°
N20	C19	H7	107.6°	109.4°
N20	C19	H8	107.6°	109.5°
C19	N20	H9	123.2°	120.0°
N20	C21	C22	116.8°	120.0°
N20	C21	S37	119.8°	120.0°
C21	N20	H9	123.2°	120.0°
C25	C24	C23	118.8°	120.2°
C25	C24	H11	120.6°	119.9°
C07	C08	CL2	117.0°	120.0°
C07	C08	C10	120.8°	120.0°
C08	C07	H2	120.0°	120.0°
C21	C22	C23	119.1°	120.1°
C22	C21	S37	121.7°	120.0°
C22	C23	C24	120.2°	120.2°
C22	C23	H10	119.9°	119.9°
C13	C12	C10	120.4°	120.1°
C13	C12	H3	119.8°	120.0°
C12	C13	H4	120.0°	120.0°
C24	C23	H10	119.9°	119.9°
C23	C24	H11	120.6°	119.9°
CL2	C08	C10	122.3°	119.9°
C08	C10	C12	118.7°	120.1°
C08	C10	CL	121.6°	120.0°
C12	C10	CL	119.7°	119.9°
C10	C12	H3	119.8°	120.0°
H7	C19	H8	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O41	C02	O01	C03	178.8°	180.0°
O41	C02	C03	C40	3.5°	0.0°
O41	C02	C03	N04	175.7°	179.7°
O41	C02	O01	H1	0.0°	0.0°
O01	C02	C03	C40	177.7°	180.0°
O01	C02	C03	N04	3.2°	0.3°
C02	C03	C40	N04	179.3°	179.8°
C02	C03	C40	C14	179.2°	179.8°
C02	C03	N04	N05	180.0°	180.0°
C03	C02	O01	H1	178.8°	180.0°
C02	C03	C40	H18	0.8°	0.1°
C03	C40	C14	H18	180.0°	179.9°
C40	C03	N04	N05	0.7°	0.3°
C03	C40	C14	N05	0.8°	0.4°
C03	C40	C14	C15	179.0°	179.9°
N04	C03	C40	C14	0.1°	0.4°
C03	N04	N05	C14	1.2°	0.0°
C03	N04	N05	C06	179.6°	180.0°
N04	C03	C40	H18	180.0°	179.7°
C40	C14	N05	N04	1.3°	0.3°
C40	C14	C15	C39	35.1°	26.7°
C40	C14	N05	C15	178.2°	179.7°
C40	C14	N05	C06	179.6°	179.7°
C40	C14	C15	C16	143.0°	153.0°
O32	C30	O31	C29	178.5°	180.0°
O32	C30	C29	O33	2.2°	179.9°
O32	C30	C29	C28	177.1°	0.5°
O32	C30	O31	H14	0.0°	0.0°
O31	C30	C29	O33	179.2°	0.0°
O31	C30	C29	C28	1.5°	179.5°
C30	C29	O33	C28	179.4°	179.5°
C30	C29	O33	C26	179.6°	179.9°
C30	C29	C28	C27	179.5°	179.8°
C30	C29	C28	H13	0.6°	0.2°
C29	C30	O31	H14	178.5°	180.0°
N04	N05	C14	C06	178.4°	180.0°
N04	N05	C14	C15	179.4°	180.0°
N04	N05	C06	C07	97.3°	134.5°
N04	N05	C06	C13	83.1°	45.2°
C38	C39	C15	H17	180.0°	179.4°
C38	C39	C15	C14	179.1°	179.7°
C39	C38	C18	H16	180.0°	179.8°
C38	C39	C15	C16	0.9°	0.6°
C39	C38	C18	C19	179.8°	179.7°
C39	C38	C18	C17	0.6°	0.2°
C39	C15	C14	N05	147.0°	153.6°
C39	C15	C14	C16	178.1°	179.7°
C15	C39	C38	C18	0.8°	0.6°
C39	C15	C16	C17	0.9°	0.3°
C39	C15	C16	H5	179.1°	179.7°
C15	C39	C38	H16	179.2°	179.7°
N05	C14	C15	C16	34.9°	26.7°
C14	N05	C06	C07	80.9°	45.5°
C14	N05	C06	C13	98.7°	134.8°
N05	C14	C40	H18	179.2°	179.7°
C15	C14	N05	C06	2.2°	0.0°
C14	C15	C16	C17	179.0°	180.0°
C14	C15	C16	H5	1.0°	0.0°
C14	C15	C39	H17	0.9°	0.3°
C15	C14	C40	H18	1.0°	0.0°
C38	C18	C19	C17	179.3°	180.0°
C38	C18	C17	C16	0.5°	0.1°
C38	C18	C19	N20	37.2°	89.9°
C38	C18	C17	H6	179.6°	180.0°
C38	C18	C19	H7	83.8°	30.0°
C38	C18	C19	H8	158.2°	150.0°
C18	C38	C39	H17	179.2°	180.0°
N05	C06	C07	C13	179.6°	179.7°
N05	C06	C07	C08	179.4°	180.0°
N05	C06	C13	C12	179.4°	179.8°
N05	C06	C07	H2	0.6°	0.1°
N05	C06	C13	H4	0.6°	0.1°
C15	C16	C17	C18	0.6°	0.0°
C15	C16	C17	H5	180.0°	180.0°
C15	C16	C17	H6	179.4°	180.0°
C16	C15	C39	H17	179.1°	180.0°
CL3	C35	C34	C22	179.2°	179.4°
CL3	C35	C34	C25	179.7°	180.0°
CL3	C35	C22	C21	0.7°	0.3°
CL3	C35	C22	C23	179.3°	179.9°
CL3	C35	C34	H15	0.3°	0.5°
O33	C29	C28	C27	0.1°	0.3°
C29	O33	C26	C25	178.3°	179.8°
C29	O33	C26	C27	1.5°	0.4°
O33	C29	C28	H13	179.9°	179.8°
C28	C29	O33	C26	1.0°	0.4°
C29	C28	C27	H13	180.0°	179.9°
C29	C28	C27	C26	0.8°	0.0°
C29	C28	C27	H12	179.3°	180.0°
O33	C26	C25	C34	7.7°	179.7°
O33	C26	C27	C28	1.4°	0.2°
O33	C26	C25	C27	176.1°	179.8°
O33	C26	C25	C24	175.7°	0.2°
O33	C26	C27	H12	178.6°	179.7°
C35	C34	C25	H15	180.0°	179.4°
C35	C34	C25	C26	178.5°	179.8°
C35	C34	C25	C24	1.8°	0.4°
C34	C35	C22	C21	179.9°	179.7°
C34	C35	C22	C23	0.1°	0.6°
C25	C34	C35	C22	1.0°	0.6°
C34	C25	C26	C24	176.6°	179.9°
C34	C25	C26	C27	168.3°	0.1°
C34	C25	C24	C23	1.6°	0.1°
C34	C25	C24	H11	178.4°	180.0°
C35	C22	C21	N20	70.0°	173.1°
C35	C22	C21	C23	180.0°	179.7°
C35	C22	C21	S37	95.0°	7.0°
C35	C22	C23	C24	0.0°	0.4°
C35	C22	C23	H10	180.0°	179.8°
C22	C35	C34	H15	179.0°	180.0°
C19	C18	C17	C16	179.8°	180.0°
C18	C19	N20	H7	121.0°	119.9°
C18	C19	N20	H8	121.1°	120.0°
C18	C19	N20	C21	94.4°	180.0°
C19	C18	C17	H6	0.3°	0.1°
C18	C19	H7	H8	116.7°	120.0°
C18	C19	N20	H9	85.7°	0.1°
C19	C18	C38	H16	0.2°	0.1°
C18	C17	C16	H6	180.0°	179.9°
C17	C18	C19	N20	142.1°	90.0°
C18	C17	C16	H5	179.4°	180.0°
C17	C18	C19	H7	96.9°	150.0°
C17	C18	C19	H8	21.1°	30.1°
C17	C18	C38	H16	179.5°	180.0°
C28	C27	C26	C25	177.8°	179.9°
C28	C27	C26	H12	180.0°	179.9°
C26	C25	C24	C23	178.0°	180.0°
C26	C25	C24	H11	2.0°	0.1°
C25	C26	C27	H12	2.2°	0.2°
C26	C25	C34	H15	1.5°	0.3°
C27	C26	C25	C24	8.3°	180.0°
C26	C27	C28	H13	179.2°	180.0°
C06	C07	C08	H2	180.0°	179.9°
C07	C06	C13	C12	0.2°	0.5°
C06	C07	C08	CL2	179.3°	180.0°
C06	C07	C08	C10	0.1°	0.1°
C07	C06	C13	H4	179.8°	179.7°
C13	C06	C07	C08	0.3°	0.3°
C06	C13	C12	H4	180.0°	179.9°
C06	C13	C12	C10	0.0°	0.4°
C13	C06	C07	H2	179.7°	179.8°
C06	C13	C12	H3	179.9°	179.7°
C19	N20	C21	H9	180.0°	180.0°
C19	N20	C21	C22	177.2°	174.9°
C19	N20	C21	S37	11.8°	5.1°
N20	C19	H7	H8	116.6°	120.1°
N20	C21	C22	S37	165.0°	180.0°
N20	C21	C22	C23	110.0°	6.6°
C21	N20	C19	H7	144.6°	60.0°
C21	N20	C19	H8	26.7°	60.0°
C25	C24	C23	C22	0.7°	0.1°
C25	C24	C23	H11	180.0°	179.9°
C25	C24	C23	H10	179.3°	180.0°
C24	C25	C34	H15	178.2°	179.8°
C07	C08	CL2	C10	179.1°	179.9°
C07	C08	C10	C12	0.1°	0.0°
C07	C08	C10	CL	179.9°	180.0°
C21	C22	C23	C24	180.0°	179.9°
C22	C21	N20	H9	2.9°	5.1°
C21	C22	C23	H10	0.0°	0.1°
C23	C22	C21	S37	85.0°	173.4°
C22	C23	C24	H10	180.0°	179.9°
C22	C23	C24	H11	179.3°	180.0°
C13	C12	C10	C08	0.2°	0.2°
C13	C12	C10	H3	180.0°	179.8°
C13	C12	C10	CL	180.0°	179.8°
S37	C21	N20	H9	168.2°	174.8°
CL2	C08	C10	C12	179.0°	179.9°
CL2	C08	C10	CL	0.8°	0.0°
CL2	C08	C07	H2	0.7°	0.1°
C08	C10	C12	CL	179.9°	180.0°
C10	C08	C07	H2	179.9°	180.0°
C08	C10	C12	H3	179.8°	180.0°
C10	C12	C13	H4	180.0°	179.7°
CL	C10	C12	H3	0.1°	0.1°
H3	C12	C13	H4	0.0°	0.1°
H5	C16	C17	H6	0.6°	0.0°
H7	C19	N20	H9	35.4°	120.0°
H8	C19	N20	H9	153.3°	120.0°
H10	C23	C24	H11	0.7°	0.1°
H12	C27	C28	H13	0.8°	0.1°
H16	C38	C39	H17	0.8°	0.3°

Release date:	2014-01-08
Definition date:	2013-12-24
Last modified:	2014-01-03
Release status:	REL
Processing site:	RCSB
Derived from:	4O0A