Obsolete: PF

PF was replaced with PRL on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.36Å	1.38Å	Aromatic
C1	C13	sing	1.41Å	1.38Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C2	C3	sing	1.40Å	1.38Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C3	C4	doub	1.38Å	1.37Å	Aromatic
C3	N15	sing	1.39Å	1.34Å
C4	C11	sing	1.41Å	1.37Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C5	C6	doub	1.38Å	1.37Å	Aromatic
C5	C14	sing	1.41Å	1.36Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C6	C7	sing	1.40Å	1.39Å	Aromatic
C6	N16	sing	1.39Å	1.35Å
C7	C8	doub	1.36Å	1.39Å	Aromatic
C7	H7	sing	1.08Å	1.08Å
C8	C12	sing	1.41Å	1.37Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
C9	C12	doub	1.40Å	1.39Å	Aromatic
C9	C13	sing	1.40Å	1.38Å	Aromatic
C9	H9	sing	1.08Å	1.08Å
N10	C11	sing	1.33Å	1.37Å	Aromatic
N10	C14	doub	1.33Å	1.37Å	Aromatic
N10	H10	sing	0.97Å	1.00Å
C11	C13	doub	1.47Å	1.40Å	Aromatic
C12	C14	sing	1.47Å	1.41Å	Aromatic
N15	H151	sing	0.97Å	1.00Å
N15	H152	sing	0.97Å	1.00Å
N16	H161	sing	0.97Å	1.00Å
N16	H162	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C13	120.3°	119.8°
C2	C1	H1	119.8°	120.1°
C1	C2	C3	119.9°	121.4°
C1	C2	H2	120.1°	119.3°
C13	C1	H1	119.8°	120.2°
C1	C13	C9	121.5°	121.2°
C1	C13	C11	118.9°	119.3°
C3	C2	H2	120.0°	119.3°
C2	C3	C4	120.7°	121.5°
C2	C3	N15	121.6°	119.2°
C4	C3	N15	117.7°	119.3°
C3	C4	C11	119.4°	119.5°
C3	C4	H4	120.3°	120.2°
C3	N15	H151	109.5°	120.0°
C3	N15	H152	109.5°	120.0°
C11	C4	H4	120.3°	120.2°
C4	C11	N10	118.6°	120.8°
C4	C11	C13	120.8°	118.5°
C6	C5	C14	119.5°	119.5°
C6	C5	H5	120.3°	120.2°
C5	C6	C7	119.9°	121.5°
C5	C6	N16	118.3°	119.3°
C14	C5	H5	120.2°	120.2°
C5	C14	N10	118.7°	120.8°
C5	C14	C12	121.2°	118.5°
C7	C6	N16	121.8°	119.2°
C6	C7	C8	120.4°	121.4°
C6	C7	H7	119.8°	119.3°
C6	N16	H161	109.5°	120.0°
C6	N16	H162	109.5°	120.0°
C8	C7	H7	119.8°	119.3°
C7	C8	C12	119.8°	119.8°
C7	C8	H8	120.1°	120.1°
C12	C8	H8	120.1°	120.2°
C8	C12	C9	121.6°	121.2°
C8	C12	C14	119.1°	119.3°
C12	C9	C13	120.3°	117.9°
C12	C9	H9	119.8°	121.0°
C9	C12	C14	119.3°	119.6°
C13	C9	H9	119.8°	121.0°
C9	C13	C11	119.6°	119.6°
C11	N10	C14	120.1°	121.5°
C11	N10	H10	119.9°	119.3°
N10	C11	C13	120.6°	120.7°
C14	N10	H10	120.0°	119.3°
N10	C14	C12	120.1°	120.7°
H151	N15	H152	109.4°	120.0°
H161	N16	H162	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C13	H1	180.0°	180.0°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C4	0.2°	0.2°
C1	C2	C3	N15	180.0°	180.0°
C2	C1	C13	C9	179.8°	180.0°
C2	C1	C13	C11	0.4°	0.0°
C13	C1	C2	C3	0.2°	0.0°
C13	C1	C2	H2	179.8°	180.0°
C1	C13	C11	C4	0.6°	0.2°
C1	C13	C9	C12	179.6°	180.0°
C1	C13	C9	C11	179.4°	180.0°
C1	C13	C9	H9	0.4°	0.1°
C1	C13	C11	N10	179.7°	180.0°
H1	C1	C2	C3	179.8°	180.0°
H1	C1	C2	H2	0.2°	0.0°
H1	C1	C13	C9	0.2°	0.0°
H1	C1	C13	C11	179.6°	180.0°
C2	C3	C4	N15	179.9°	179.8°
C2	C3	C4	C11	0.3°	0.4°
C2	C3	C4	H4	179.7°	179.7°
C2	C3	N15	H151	155.6°	0.0°
C2	C3	N15	H152	35.6°	179.7°
H2	C2	C3	C4	179.8°	179.8°
H2	C2	C3	N15	0.1°	0.0°
C3	C4	C11	H4	180.0°	179.8°
C3	C4	C11	N10	179.8°	179.8°
C3	C4	C11	C13	0.5°	0.4°
C4	C3	N15	H151	24.3°	179.8°
C4	C3	N15	H152	144.3°	0.5°
N15	C3	C4	C11	179.8°	179.8°
N15	C3	C4	H4	0.2°	0.1°
C3	N15	H151	H152	120.0°	179.7°
C4	C11	C13	C9	180.0°	179.8°
C4	C11	N10	C13	179.7°	179.8°
C4	C11	N10	C14	180.0°	179.8°
C4	C11	N10	H10	0.1°	0.1°
H4	C4	C11	N10	0.2°	0.1°
H4	C4	C11	C13	179.5°	179.8°
C6	C5	C14	H5	180.0°	180.0°
C5	C6	C7	N16	180.0°	179.9°
C5	C6	C7	C8	0.0°	0.1°
C5	C6	C7	H7	180.0°	180.0°
C6	C5	C14	N10	180.0°	180.0°
C6	C5	C14	C12	0.2°	0.0°
C5	C6	N16	H161	164.8°	180.0°
C5	C6	N16	H162	75.2°	0.0°
C14	C5	C6	C7	0.0°	0.1°
C14	C5	C6	N16	180.0°	180.0°
C5	C14	C12	C8	0.3°	0.0°
C5	C14	C12	C9	179.9°	180.0°
C5	C14	N10	C11	179.8°	180.0°
C5	C14	N10	C12	179.8°	180.0°
C5	C14	N10	H10	0.2°	0.1°
H5	C5	C6	C7	180.0°	180.0°
H5	C5	C6	N16	0.1°	0.0°
H5	C5	C14	N10	0.0°	0.0°
H5	C5	C14	C12	179.8°	180.0°
C6	C7	C8	H7	180.0°	179.9°
C6	C7	C8	C12	0.1°	0.0°
C6	C7	C8	H8	179.9°	180.0°
C7	C6	N16	H161	15.2°	0.0°
C7	C6	N16	H162	104.8°	180.0°
N16	C6	C7	C8	180.0°	180.0°
N16	C6	C7	H7	0.0°	0.1°
C6	N16	H161	H162	120.0°	180.0°
C7	C8	C12	H8	180.0°	180.0°
C7	C8	C12	C9	179.9°	180.0°
C7	C8	C12	C14	0.3°	0.0°
H7	C7	C8	C12	179.9°	179.9°
H7	C7	C8	H8	0.1°	0.1°
C8	C12	C9	C14	179.8°	180.0°
C8	C12	C9	C13	179.8°	180.0°
C8	C12	C9	H9	0.2°	0.1°
C8	C12	C14	N10	179.9°	180.0°
H8	C8	C12	C9	0.1°	0.0°
H8	C8	C12	C14	179.7°	180.0°
C12	C9	C13	H9	180.0°	179.8°
C9	C12	C14	N10	0.1°	0.0°
C12	C9	C13	C11	0.2°	0.1°
C9	C13	C11	N10	0.3°	0.0°
C13	C9	C12	C14	0.0°	0.1°
H9	C9	C13	C11	179.8°	179.9°
H9	C9	C12	C14	180.0°	179.9°
C11	N10	C14	H10	180.0°	179.9°
C11	N10	C14	C12	0.1°	0.0°
C14	N10	C11	C13	0.2°	0.0°
H10	N10	C11	C13	179.8°	179.9°
H10	N10	C14	C12	179.9°	179.9°

Definition date:	1999-07-08
Last modified:	2009-01-23
Release status:	OBS
Processing site:	RCSB
Replaced by:	PRL
Derived from:	1QVT