P16

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C2	sing	1.43Å	1.40Å
O1	HO1	sing	0.97Å	0.95Å
C2	C3	sing	1.51Å	1.52Å
C2	H21	sing	1.09Å	1.12Å
C2	H22	sing	1.09Å	1.12Å
C3	C4	doub	1.38Å	1.44Å	Aromatic
C3	C8	sing	1.38Å	1.42Å	Aromatic
C4	C5	sing	1.38Å	1.41Å	Aromatic
C4	H4	sing	1.08Å	1.10Å
C5	C6	doub	1.38Å	1.43Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C6	C7	sing	1.39Å	1.43Å	Aromatic
C6	H6	sing	1.08Å	1.10Å
C7	N9	sing	1.40Å	1.42Å
C7	C8	doub	1.39Å	1.44Å	Aromatic
N9	C10	sing	1.38Å	1.37Å
N9	HN9	sing	0.97Å	1.02Å
C10	N11	doub	1.33Å	1.38Å	Aromatic
C10	N15	sing	1.32Å	1.36Å	Aromatic
N11	C12	sing	1.32Å	1.35Å	Aromatic
C12	C13	doub	1.40Å	1.42Å	Aromatic
C12	H12	sing	1.08Å	1.10Å
C13	C16	sing	1.41Å	1.44Å	Aromatic
C13	C14	sing	1.41Å	1.45Å	Aromatic
C16	C17	doub	1.37Å	1.36Å	Aromatic
C16	H16	sing	1.08Å	1.10Å
C17	C18	sing	1.46Å	1.51Å	Aromatic
C17	C22	sing	1.48Å	1.48Å	Aromatic
C18	O21	doub	1.22Å	1.23Å
C18	N19	sing	1.35Å	1.44Å	Aromatic
N19	C14	sing	1.37Å	1.40Å	Aromatic
N19	C20	sing	1.47Å	1.48Å
C14	N15	doub	1.33Å	1.36Å	Aromatic
C20	H201	sing	1.09Å	1.12Å
C20	H202	sing	1.09Å	1.11Å
C20	H203	sing	1.09Å	1.11Å
C22	C27	doub	1.40Å	1.42Å	Aromatic
C22	C23	sing	1.40Å	1.44Å	Aromatic
C27	CL28	sing	1.74Å	1.75Å
C27	C26	sing	1.38Å	1.43Å	Aromatic
C26	C25	doub	1.38Å	1.43Å	Aromatic
C26	H26	sing	1.08Å	1.10Å
C25	C24	sing	1.38Å	1.43Å	Aromatic
C25	H25	sing	1.08Å	1.10Å
C24	C23	doub	1.38Å	1.43Å	Aromatic
C24	H24	sing	1.08Å	1.10Å
C23	CL29	sing	1.74Å	1.74Å
C8	H8	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	O1	HO1	113.0°	106.8°
O1	C2	C3	113.0°	109.5°
O1	C2	H21	110.9°	109.5°
O1	C2	H22	110.9°	109.5°
C3	C2	H21	111.0°	109.5°
C3	C2	H22	110.9°	109.5°
C2	C3	C4	120.3°	119.9°
C2	C3	C8	120.3°	120.0°
H21	C2	H22	99.3°	109.4°
C4	C3	C8	119.4°	120.0°
C3	C4	C5	120.4°	120.1°
C3	C4	H4	120.9°	119.9°
C3	C8	C7	120.6°	120.0°
C3	C8	H8	118.9°	120.0°
C5	C4	H4	118.8°	120.0°
C4	C5	C6	120.5°	120.1°
C4	C5	H5	119.1°	119.9°
C6	C5	H5	120.5°	120.0°
C5	C6	C7	119.7°	119.9°
C5	C6	H6	120.1°	120.0°
C7	C6	H6	120.3°	120.1°
C6	C7	N9	124.6°	120.0°
C6	C7	C8	119.5°	119.9°
N9	C7	C8	115.9°	120.1°
C7	N9	C10	127.8°	120.0°
C7	N9	HN9	105.8°	120.0°
C7	C8	H8	120.5°	120.0°
C10	N9	HN9	105.8°	120.1°
N9	C10	N11	114.8°	118.8°
N9	C10	N15	120.8°	118.8°
N11	C10	N15	124.4°	122.4°
C10	N11	C12	117.0°	121.2°
C10	N15	C14	118.8°	120.6°
N11	C12	C13	123.1°	118.6°
N11	C12	H12	115.4°	120.7°
C13	C12	H12	121.5°	120.7°
C12	C13	C16	123.8°	121.1°
C12	C13	C14	116.0°	118.6°
C16	C13	C14	120.2°	120.2°
C13	C16	C17	120.8°	119.0°
C13	C16	H16	122.2°	120.6°
C13	C14	N19	119.6°	120.4°
C13	C14	N15	120.7°	118.6°
C17	C16	H16	117.1°	120.5°
C16	C17	C18	120.7°	119.4°
C16	C17	C22	122.3°	120.4°
C18	C17	C22	116.9°	120.3°
C17	C18	O21	125.4°	119.8°
C17	C18	N19	116.8°	120.4°
C17	C22	C27	121.9°	120.2°
C17	C22	C23	120.2°	120.2°
O21	C18	N19	117.8°	119.8°
C18	N19	C14	121.8°	120.7°
C18	N19	C20	119.9°	119.7°
C14	N19	C20	118.3°	119.6°
N19	C14	N15	119.7°	121.0°
N19	C20	H201	119.8°	109.4°
N19	C20	H202	108.4°	109.5°
N19	C20	H203	108.5°	109.5°
H201	C20	H202	108.5°	109.5°
H201	C20	H203	108.5°	109.5°
H202	C20	H203	101.6°	109.5°
C27	C22	C23	117.8°	119.6°
C22	C27	CL28	120.0°	120.0°
C22	C27	C26	120.9°	119.9°
C22	C23	C24	122.3°	119.9°
C22	C23	CL29	119.7°	120.1°
CL28	C27	C26	119.1°	120.1°
C27	C26	C25	120.1°	120.1°
C27	C26	H26	120.3°	119.9°
C25	C26	H26	119.7°	120.0°
C26	C25	C24	120.4°	120.3°
C26	C25	H25	119.8°	119.8°
C24	C25	H25	119.8°	119.8°
C25	C24	C23	118.5°	120.1°
C25	C24	H24	120.6°	119.9°
C23	C24	H24	120.9°	120.0°
C24	C23	CL29	118.0°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C2	C3	H21	125.3°	120.0°
O1	C2	C3	H22	125.3°	120.0°
O1	C2	H21	H22	116.8°	119.9°
O1	C2	C3	C4	102.0°	90.0°
O1	C2	C3	C8	77.6°	89.7°
HO1	O1	C2	C3	180.0°	179.9°
HO1	O1	C2	H21	54.7°	59.9°
HO1	O1	C2	H22	54.7°	60.0°
C3	C2	H21	H22	116.8°	120.0°
C2	C3	C4	C8	179.6°	179.6°
C2	C3	C4	C5	179.7°	180.0°
C2	C3	C4	H4	0.4°	0.0°
C2	C3	C8	C7	179.7°	179.7°
C2	C3	C8	H8	0.3°	0.5°
H21	C2	C3	C4	23.3°	150.0°
H21	C2	C3	C8	157.1°	30.4°
H22	C2	C3	C4	132.7°	30.1°
H22	C2	C3	C8	47.7°	150.3°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C6	0.1°	0.1°
C3	C4	C5	H5	179.9°	180.0°
C4	C3	C8	C7	0.1°	0.7°
C4	C3	C8	H8	179.9°	179.9°
C8	C3	C4	C5	0.0°	0.4°
C8	C3	C4	H4	180.0°	179.6°
C3	C8	C7	C6	0.2°	0.7°
C3	C8	C7	N9	178.7°	179.7°
C3	C8	C7	H8	180.0°	179.2°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	C7	0.2°	0.1°
C4	C5	C6	H6	179.8°	180.0°
H4	C4	C5	C6	179.9°	179.9°
H4	C4	C5	H5	0.1°	0.0°
C5	C6	C7	H6	180.0°	179.9°
C5	C6	C7	N9	178.6°	180.0°
C5	C6	C7	C8	0.3°	0.4°
H5	C5	C6	C7	179.7°	179.9°
H5	C5	C6	H6	0.2°	0.1°
C6	C7	N9	C8	178.4°	179.6°
C6	C7	N9	C10	19.3°	33.7°
C6	C7	N9	HN9	144.6°	146.2°
C6	C7	C8	H8	179.8°	180.0°
H6	C6	C7	N9	1.4°	0.1°
H6	C6	C7	C8	179.8°	179.7°
C7	N9	C10	HN9	125.3°	180.0°
C7	N9	C10	N11	177.4°	5.6°
C7	N9	C10	N15	1.4°	174.4°
N9	C7	C8	H8	1.4°	0.5°
C8	C7	N9	C10	159.1°	146.7°
C8	C7	N9	HN9	33.8°	33.3°
N9	C10	N11	N15	178.8°	180.0°
N9	C10	N11	C12	178.5°	180.0°
N9	C10	N15	C14	179.1°	179.8°
HN9	N9	C10	N11	52.1°	174.4°
HN9	N9	C10	N15	126.7°	5.5°
C10	N11	C12	C13	0.3°	0.0°
C10	N11	C12	H12	179.7°	180.0°
N11	C10	N15	C14	0.4°	0.3°
N15	C10	N11	C12	0.4°	0.0°
C10	N15	C14	C13	1.7°	0.6°
C10	N15	C14	N19	179.5°	179.8°
N11	C12	C13	H12	180.0°	179.9°
N11	C12	C13	C16	179.8°	180.0°
N11	C12	C13	C14	1.5°	0.3°
C12	C13	C16	C14	178.6°	179.7°
C12	C13	C16	C17	179.9°	180.0°
C12	C13	C16	H16	0.1°	0.0°
C12	C13	C14	N19	180.0°	179.8°
C12	C13	C14	N15	2.3°	0.6°
H12	C12	C13	C16	0.2°	0.1°
H12	C12	C13	C14	178.4°	179.8°
C13	C16	C17	H16	180.0°	180.0°
C13	C16	C17	C18	1.6°	0.0°
C13	C16	C17	C22	179.1°	180.0°
C16	C13	C14	N19	1.3°	0.5°
C16	C13	C14	N15	179.1°	179.7°
C14	C13	C16	C17	1.3°	0.3°
C14	C13	C16	H16	178.7°	179.7°
C13	C14	N19	C18	1.6°	0.5°
C13	C14	N19	N15	177.8°	179.2°
C13	C14	N19	C20	179.9°	179.7°
C16	C17	C18	C22	179.3°	180.0°
C16	C17	C18	O21	179.7°	180.0°
C16	C17	C18	N19	1.9°	0.0°
C16	C17	C22	C27	97.6°	89.9°
C16	C17	C22	C23	84.6°	90.2°
H16	C16	C17	C18	178.4°	180.0°
H16	C16	C17	C22	0.9°	0.0°
C17	C18	O21	N19	178.4°	180.0°
C17	C18	N19	C14	1.9°	0.2°
C17	C18	N19	C20	179.9°	180.0°
C18	C17	C22	C27	81.6°	90.1°
C18	C17	C22	C23	96.2°	89.8°
C22	C17	C18	O21	0.4°	0.0°
C22	C17	C18	N19	178.8°	180.0°
C17	C22	C27	C23	177.9°	179.9°
C17	C22	C27	CL28	2.3°	0.1°
C17	C22	C27	C26	179.1°	180.0°
C17	C22	C23	C24	179.2°	179.8°
C17	C22	C23	CL29	2.4°	0.1°
O21	C18	N19	C14	179.6°	179.8°
O21	C18	N19	C20	1.4°	0.0°
C18	N19	C14	C20	178.3°	179.7°
C18	N19	C14	N15	179.4°	179.7°
C18	N19	C20	H201	180.0°	0.0°
C18	N19	C20	H202	54.8°	120.0°
C18	N19	C20	H203	54.8°	120.0°
C14	N19	C20	H201	1.7°	179.7°
C14	N19	C20	H202	123.5°	60.3°
C14	N19	C20	H203	126.9°	59.8°
C20	N19	C14	N15	2.3°	0.5°
N19	C20	H201	H202	125.2°	120.0°
N19	C20	H201	H203	125.3°	120.0°
N19	C20	H202	H203	114.2°	120.0°
H201	C20	H202	H203	114.2°	120.1°
C22	C27	CL28	C26	178.6°	179.9°
C22	C27	C26	C25	1.4°	0.0°
C22	C27	C26	H26	178.5°	179.9°
C27	C22	C23	C24	1.4°	0.3°
C27	C22	C23	CL29	179.7°	180.0°
C23	C22	C27	CL28	179.8°	179.8°
C23	C22	C27	C26	1.3°	0.1°
C22	C23	C24	C25	1.6°	0.4°
C22	C23	C24	CL29	178.3°	179.6°
C22	C23	C24	H24	178.4°	179.7°
CL28	C27	C26	C25	180.0°	179.9°
CL28	C27	C26	H26	0.0°	0.1°
C27	C26	C25	H26	180.0°	180.0°
C27	C26	C25	C24	1.6°	0.1°
C27	C26	C25	H25	178.4°	180.0°
C26	C25	C24	H25	180.0°	179.9°
C26	C25	C24	C23	1.7°	0.3°
C26	C25	C24	H24	178.3°	179.8°
H26	C26	C25	C24	178.3°	180.0°
H26	C26	C25	H25	1.6°	0.1°
C25	C24	C23	H24	180.0°	179.9°
C25	C24	C23	CL29	179.9°	180.0°
H25	C25	C24	C23	178.4°	179.8°
H25	C25	C24	H24	1.7°	0.1°
H24	C24	C23	CL29	0.1°	0.1°

Definition date:	2003-03-18
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	1OPK