9HP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.41Å	1.48Å	Aromatic
C1	C6	sing	1.39Å	1.44Å	Aromatic
C1	C10	sing	1.46Å	1.47Å	Aromatic
C2	C3	sing	1.40Å	1.43Å	Aromatic
C2	C13	sing	1.41Å	1.43Å	Aromatic
C3	C4	doub	1.36Å	1.41Å	Aromatic
C3	HC3	sing	1.08Å	1.10Å
C4	N5	sing	1.32Å	1.37Å	Aromatic
C4	HC4	sing	1.08Å	1.10Å
N5	C6	doub	1.32Å	1.37Å	Aromatic
C6	HC6	sing	1.08Å	1.10Å
C10	C11	doub	1.42Å	1.47Å	Aromatic
C10	C16	sing	1.40Å	1.43Å	Aromatic
C11	C12	sing	1.42Å	1.42Å	Aromatic
C11	N19	sing	1.33Å	1.39Å	Aromatic
C12	C13	doub	1.35Å	1.40Å	Aromatic
C12	H12	sing	1.08Å	1.10Å
C13	H13	sing	1.08Å	1.10Å
C16	C17	doub	1.39Å	1.41Å	Aromatic
C16	H16	sing	1.08Å	1.10Å
C17	C18	sing	1.40Å	1.41Å	Aromatic
C17	C24	sing	1.48Å	1.50Å	Aromatic
C18	N19	doub	1.31Å	1.37Å	Aromatic
C18	H18	sing	1.08Å	1.10Å
C22	C23	doub	1.38Å	1.42Å	Aromatic
C22	C27	sing	1.39Å	1.42Å	Aromatic
C22	H22	sing	1.08Å	1.10Å
C23	C24	sing	1.39Å	1.42Å	Aromatic
C23	H23	sing	1.08Å	1.10Å
C24	C25	doub	1.39Å	1.41Å	Aromatic
C25	C26	sing	1.38Å	1.39Å	Aromatic
C25	H25	sing	1.08Å	1.10Å
C26	C27	doub	1.39Å	1.40Å	Aromatic
C26	H26	sing	1.08Å	1.10Å
C27	O32	sing	1.36Å	1.37Å
O32	H32	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	116.3°	118.9°
C2	C1	C10	117.9°	118.7°
C1	C2	C3	120.1°	118.2°
C1	C2	C13	123.1°	119.9°
C6	C1	C10	125.8°	122.4°
C1	C6	N5	122.0°	120.0°
C1	C6	HC6	121.6°	120.0°
C1	C10	C11	115.8°	118.8°
C1	C10	C16	126.0°	121.8°
C3	C2	C13	116.8°	121.9°
C2	C3	C4	118.0°	118.7°
C2	C3	HC3	121.9°	120.7°
C2	C13	C12	118.8°	121.3°
C2	C13	H13	121.6°	119.4°
C4	C3	HC3	120.1°	120.6°
C3	C4	N5	122.7°	121.8°
C3	C4	HC4	120.0°	119.1°
N5	C4	HC4	117.3°	119.1°
C4	N5	C6	120.9°	122.5°
N5	C6	HC6	116.4°	120.0°
C11	C10	C16	118.2°	119.4°
C10	C11	C12	124.2°	119.6°
C10	C11	N19	117.1°	119.9°
C10	C16	C17	121.9°	118.1°
C10	C16	H16	119.9°	120.9°
C12	C11	N19	118.6°	120.5°
C11	C12	C13	120.2°	121.6°
C11	C12	H12	120.4°	119.2°
C11	N19	C18	123.8°	121.8°
C13	C12	H12	119.4°	119.2°
C12	C13	H13	119.6°	119.3°
C17	C16	H16	118.3°	121.0°
C16	C17	C18	117.6°	119.3°
C16	C17	C24	121.5°	120.3°
C18	C17	C24	120.9°	120.4°
C17	C18	N19	121.5°	121.5°
C17	C18	H18	121.0°	119.3°
C17	C24	C23	123.3°	120.1°
C17	C24	C25	118.2°	120.0°
N19	C18	H18	117.6°	119.3°
C23	C22	C27	119.4°	120.0°
C23	C22	H22	120.2°	120.0°
C22	C23	C24	120.4°	119.9°
C22	C23	H23	119.9°	120.0°
C27	C22	H22	120.4°	120.0°
C22	C27	C26	119.8°	120.1°
C22	C27	O32	122.1°	119.9°
C24	C23	H23	119.7°	120.0°
C23	C24	C25	118.6°	119.9°
C24	C25	C26	121.6°	119.9°
C24	C25	H25	119.6°	120.0°
C26	C25	H25	118.8°	120.1°
C25	C26	C27	120.2°	120.1°
C25	C26	H26	119.7°	120.0°
C27	C26	H26	120.0°	119.9°
C26	C27	O32	118.1°	120.0°
C27	O32	H32	122.1°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	C10	179.4°	179.9°
C1	C2	C3	C13	179.9°	180.0°
C1	C2	C3	C4	0.2°	0.1°
C1	C2	C3	HC3	179.9°	180.0°
C2	C1	C6	N5	0.1°	0.0°
C2	C1	C6	HC6	179.9°	180.0°
C2	C1	C10	C11	0.7°	0.0°
C2	C1	C10	C16	179.5°	179.7°
C1	C2	C13	C12	0.3°	0.0°
C1	C2	C13	H13	179.7°	180.0°
C6	C1	C2	C3	0.3°	0.0°
C6	C1	C2	C13	179.9°	180.0°
C1	C6	N5	C4	0.1°	0.0°
C1	C6	N5	HC6	180.0°	180.0°
C6	C1	C10	C11	179.8°	179.9°
C6	C1	C10	C16	1.0°	0.4°
C10	C1	C2	C3	179.8°	180.0°
C10	C1	C2	C13	0.4°	0.0°
C10	C1	C6	N5	179.6°	179.9°
C10	C1	C6	HC6	0.4°	0.1°
C1	C10	C11	C16	178.9°	179.7°
C1	C10	C11	C12	1.1°	0.0°
C1	C10	C11	N19	180.0°	179.9°
C1	C10	C16	C17	179.8°	179.8°
C1	C10	C16	H16	0.2°	0.0°
C2	C3	C4	HC3	180.0°	179.9°
C2	C3	C4	N5	0.1°	0.1°
C2	C3	C4	HC4	179.9°	180.0°
C3	C2	C13	C12	179.9°	180.0°
C3	C2	C13	H13	0.2°	0.0°
C13	C2	C3	C4	180.0°	179.9°
C13	C2	C3	HC3	0.0°	0.0°
C2	C13	C12	C11	0.6°	0.0°
C2	C13	C12	H13	180.0°	179.9°
C2	C13	C12	H12	179.4°	180.0°
C3	C4	N5	HC4	180.0°	179.9°
C3	C4	N5	C6	0.2°	0.0°
HC3	C3	C4	N5	179.9°	180.0°
HC3	C3	C4	HC4	0.1°	0.1°
C4	N5	C6	HC6	179.9°	180.0°
HC4	C4	N5	C6	179.8°	179.9°
C10	C11	C12	N19	178.9°	179.9°
C10	C11	C12	C13	1.1°	0.0°
C10	C11	C12	H12	179.0°	180.0°
C11	C10	C16	C17	1.0°	0.5°
C11	C10	C16	H16	179.0°	179.7°
C10	C11	N19	C18	1.0°	0.0°
C16	C10	C11	C12	180.0°	179.7°
C16	C10	C11	N19	1.1°	0.2°
C10	C16	C17	H16	180.0°	179.8°
C10	C16	C17	C18	0.7°	0.6°
C10	C16	C17	C24	178.3°	179.7°
C11	C12	C13	H12	180.0°	180.0°
C11	C12	C13	H13	179.4°	179.9°
C12	C11	N19	C18	180.0°	180.0°
N19	C11	C12	C13	180.0°	179.9°
N19	C11	C12	H12	0.0°	0.0°
C11	N19	C18	C17	0.8°	0.0°
C11	N19	C18	H18	179.2°	180.0°
H12	C12	C13	H13	0.6°	0.1°
C16	C17	C18	C24	179.1°	179.7°
C16	C17	C18	N19	0.6°	0.3°
C16	C17	C18	H18	179.4°	179.7°
C16	C17	C24	C23	52.2°	39.7°
C16	C17	C24	C25	126.8°	140.4°
H16	C16	C17	C18	179.2°	179.6°
H16	C16	C17	C24	1.7°	0.0°
C17	C18	N19	H18	180.0°	179.9°
C18	C17	C24	C23	128.7°	140.0°
C18	C17	C24	C25	52.3°	39.9°
C24	C17	C18	N19	178.5°	180.0°
C24	C17	C18	H18	1.5°	0.0°
C17	C24	C23	C22	178.9°	179.7°
C17	C24	C23	C25	179.0°	179.9°
C17	C24	C23	H23	1.0°	0.1°
C17	C24	C25	C26	179.0°	180.0°
C17	C24	C25	H25	1.0°	0.1°
C23	C22	C27	H22	180.0°	179.5°
C22	C23	C24	H23	180.0°	179.8°
C22	C23	C24	C25	0.0°	0.2°
C23	C22	C27	C26	0.4°	0.5°
C23	C22	C27	O32	179.5°	179.7°
C27	C22	C23	C24	0.2°	0.5°
C27	C22	C23	H23	179.8°	179.7°
C22	C27	C26	C25	0.4°	0.2°
C22	C27	C26	O32	179.9°	179.8°
C22	C27	C26	H26	179.6°	179.8°
C22	C27	O32	H32	180.0°	90.3°
H22	C22	C23	C24	179.8°	180.0°
H22	C22	C23	H23	0.2°	0.2°
H22	C22	C27	C26	179.6°	180.0°
H22	C22	C27	O32	0.5°	0.2°
C23	C24	C25	C26	0.1°	0.1°
C23	C24	C25	H25	179.9°	180.0°
H23	C23	C24	C25	180.0°	180.0°
C24	C25	C26	H25	180.0°	179.9°
C24	C25	C26	C27	0.2°	0.1°
C24	C25	C26	H26	179.8°	179.9°
C25	C26	C27	H26	180.0°	180.0°
C25	C26	C27	O32	179.5°	180.0°
H25	C25	C26	C27	179.8°	180.0°
H25	C25	C26	H26	0.1°	0.0°
C26	C27	O32	H32	0.1°	89.9°
H26	C26	C27	O32	0.5°	0.0°

Definition date:	2003-06-16
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1PMU