FP3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C6	C1	doub	1.39Å	1.40Å	Aromatic
C1	CL1	sing	1.74Å	1.72Å
C1	C2	sing	1.38Å	1.40Å	Aromatic
C3	C2	doub	1.38Å	1.40Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C4	C3	sing	1.39Å	1.41Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C5	C4	doub	1.39Å	1.41Å	Aromatic
N7	C4	sing	1.40Å	1.36Å
C5	C6	sing	1.39Å	1.42Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
O23	C6	sing	1.36Å	1.37Å
N7	C16	sing	1.39Å	1.36Å
N7	HN7	sing	0.97Å	1.00Å
C13	C8	doub	1.37Å	1.42Å	Aromatic
C8	N9	sing	1.32Å	1.35Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
C10	N9	doub	1.32Å	1.35Å	Aromatic
C11	C10	sing	1.39Å	1.41Å	Aromatic
C10	H10	sing	1.08Å	1.08Å
C12	C11	doub	1.41Å	1.39Å	Aromatic
O14	C11	sing	1.35Å	1.38Å	Aromatic
C16	C12	sing	1.47Å	1.45Å	Aromatic
C12	C13	sing	1.40Å	1.41Å	Aromatic
C13	H13	sing	1.08Å	1.08Å
C15	O14	sing	1.35Å	1.42Å	Aromatic
C17	C15	sing	1.47Å	1.43Å	Aromatic
C16	C15	doub	1.36Å	1.40Å	Aromatic
N18	C17	doub	1.33Å	1.36Å	Aromatic
N22	C17	sing	1.33Å	1.35Å	Aromatic
C19	N18	sing	1.32Å	1.35Å	Aromatic
C20	C19	doub	1.39Å	1.41Å	Aromatic
C19	H19	sing	1.08Å	1.08Å
C20	C21	sing	1.39Å	1.42Å	Aromatic
C20	H20	sing	1.08Å	1.08Å
C21	N22	doub	1.32Å	1.36Å	Aromatic
C21	H21	sing	1.08Å	1.08Å
O23	HO23	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	C1	CL1	118.4°	120.0°
C6	C1	C2	120.4°	120.0°
C1	C6	C5	121.4°	120.0°
C1	C6	O23	116.2°	120.0°
CL1	C1	C2	121.2°	120.0°
C1	C2	C3	117.8°	120.1°
C1	C2	H2	121.1°	119.9°
C3	C2	H2	121.1°	119.9°
C2	C3	C4	122.9°	120.0°
C2	C3	H3	118.5°	120.0°
C4	C3	H3	118.5°	120.0°
C3	C4	C5	118.5°	119.9°
C3	C4	N7	119.1°	120.0°
C5	C4	N7	122.4°	120.0°
C4	C5	C6	118.9°	119.9°
C4	C5	H5	120.5°	120.1°
C4	N7	C16	130.7°	120.0°
C4	N7	HN7	114.7°	120.0°
C6	C5	H5	120.6°	120.0°
C5	C6	O23	122.4°	120.0°
C6	O23	HO23	109.5°	114.0°
C16	N7	HN7	114.6°	120.0°
N7	C16	C12	127.4°	127.0°
N7	C16	C15	130.6°	127.1°
C13	C8	N9	124.0°	121.2°
C13	C8	H8	118.0°	119.4°
C8	C13	C12	117.6°	118.7°
C8	C13	H13	121.2°	120.6°
N9	C8	H8	118.0°	119.4°
C8	N9	C10	118.6°	122.6°
N9	C10	C11	120.4°	120.3°
N9	C10	H10	119.8°	119.9°
C11	C10	H10	119.8°	119.8°
C10	C11	C12	121.8°	118.3°
C10	C11	O14	127.6°	134.0°
C12	C11	O14	110.7°	107.6°
C11	C12	C16	109.4°	105.8°
C11	C12	C13	117.6°	118.9°
C11	O14	C15	104.1°	111.0°
C16	C12	C13	133.0°	135.3°
C12	C16	C15	101.9°	105.9°
C12	C13	H13	121.2°	120.7°
O14	C15	C17	115.2°	125.2°
O14	C15	C16	113.9°	109.7°
C17	C15	C16	130.8°	125.2°
C15	C17	N18	115.3°	119.3°
C15	C17	N22	119.6°	119.3°
N18	C17	N22	125.1°	121.5°
C17	N18	C19	119.7°	120.7°
C17	N22	C21	116.1°	120.7°
N18	C19	C20	118.8°	119.3°
N18	C19	H19	120.6°	120.4°
C20	C19	H19	120.6°	120.4°
C19	C20	C21	118.1°	118.6°
C19	C20	H20	121.0°	120.6°
C21	C20	H20	121.0°	120.7°
C20	C21	N22	122.2°	119.2°
C20	C21	H21	118.9°	120.3°
N22	C21	H21	118.9°	120.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C6	C1	CL1	C2	179.8°	179.7°
C6	C1	C2	C3	0.2°	0.3°
C6	C1	C2	H2	179.8°	179.7°
C1	C6	C5	C4	0.2°	0.5°
C1	C6	C5	O23	179.9°	179.5°
C1	C6	C5	H5	179.8°	179.7°
C1	C6	O23	HO23	180.0°	90.5°
CL1	C1	C2	C3	179.5°	180.0°
CL1	C1	C2	H2	0.5°	0.1°
CL1	C1	C6	C5	179.9°	179.8°
CL1	C1	C6	O23	0.2°	0.3°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C4	0.5°	0.0°
C1	C2	C3	H3	179.5°	180.0°
C2	C1	C6	C5	0.1°	0.6°
C2	C1	C6	O23	180.0°	180.0°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	0.4°	0.0°
C2	C3	C4	N7	178.7°	180.0°
H2	C2	C3	C4	179.5°	180.0°
H2	C2	C3	H3	0.5°	0.0°
C3	C4	C5	N7	179.0°	180.0°
C3	C4	C5	C6	0.0°	0.3°
C3	C4	C5	H5	180.0°	180.0°
C3	C4	N7	C16	28.9°	4.5°
C3	C4	N7	HN7	151.0°	175.4°
H3	C3	C4	C5	179.6°	180.0°
H3	C3	C4	N7	1.3°	0.0°
C4	C5	C6	H5	180.0°	179.7°
C4	C5	C6	O23	179.9°	180.0°
C5	C4	N7	C16	150.1°	175.5°
C5	C4	N7	HN7	29.9°	4.6°
N7	C4	C5	C6	179.0°	179.7°
N7	C4	C5	H5	1.0°	0.0°
C4	N7	C16	HN7	180.0°	179.9°
C4	N7	C16	C12	8.8°	88.9°
C4	N7	C16	C15	171.1°	91.0°
C5	C6	O23	HO23	0.1°	90.1°
H5	C5	C6	O23	0.1°	0.3°
N7	C16	C12	C11	179.6°	180.0°
N7	C16	C12	C15	179.9°	180.0°
N7	C16	C12	C13	0.3°	0.4°
N7	C16	C15	O14	179.6°	180.0°
N7	C16	C15	C17	0.4°	0.0°
HN7	N7	C16	C12	171.2°	91.2°
HN7	N7	C16	C15	8.9°	88.9°
C13	C8	N9	H8	180.0°	179.7°
C13	C8	N9	C10	0.2°	0.3°
C8	C13	C12	C11	0.0°	0.5°
C8	C13	C12	C16	179.9°	179.9°
C8	C13	C12	H13	180.0°	179.5°
C8	N9	C10	C11	0.2°	0.1°
C8	N9	C10	H10	179.8°	180.0°
N9	C8	C13	C12	0.1°	0.5°
N9	C8	C13	H13	179.9°	179.9°
H8	C8	N9	C10	179.8°	180.0°
H8	C8	C13	C12	179.9°	179.7°
H8	C8	C13	H13	0.1°	0.2°
N9	C10	C11	H10	180.0°	179.9°
N9	C10	C11	C12	0.1°	0.1°
N9	C10	C11	O14	180.0°	180.0°
C10	C11	C12	O14	179.9°	180.0°
C10	C11	C12	C16	179.9°	180.0°
C10	C11	C12	C13	0.0°	0.3°
C10	C11	O14	C15	179.9°	180.0°
H10	C10	C11	C12	179.9°	180.0°
H10	C10	C11	O14	0.0°	0.1°
C11	C12	C16	C13	179.9°	179.6°
C11	C12	C13	H13	180.0°	179.9°
C12	C11	O14	C15	0.0°	0.0°
C11	C12	C16	C15	0.3°	0.0°
O14	C11	C12	C16	0.2°	0.0°
O14	C11	C12	C13	179.9°	179.7°
C11	O14	C15	C17	179.5°	180.0°
C11	O14	C15	C16	0.2°	0.0°
C16	C12	C13	H13	0.1°	0.4°
C12	C16	C15	O14	0.3°	0.0°
C12	C16	C15	C17	179.5°	180.0°
C13	C12	C16	C15	179.8°	179.7°
O14	C15	C17	C16	179.2°	180.0°
O14	C15	C17	N18	11.7°	5.2°
O14	C15	C17	N22	166.0°	174.5°
C15	C17	N18	N22	177.5°	179.7°
C15	C17	N18	C19	178.6°	179.9°
C15	C17	N22	C21	178.8°	179.8°
C16	C15	C17	N18	169.1°	174.8°
C16	C15	C17	N22	13.2°	5.5°
C17	N18	C19	C20	0.2°	0.1°
C17	N18	C19	H19	179.8°	179.9°
N18	C17	N22	C21	1.4°	0.5°
N22	C17	N18	C19	1.0°	0.2°
C17	N22	C21	C20	1.0°	0.5°
C17	N22	C21	H21	179.0°	179.7°
N18	C19	C20	H19	180.0°	179.8°
N18	C19	C20	C21	0.1°	0.1°
N18	C19	C20	H20	179.9°	180.0°
C19	C20	C21	H20	180.0°	179.9°
C19	C20	C21	N22	0.3°	0.2°
C19	C20	C21	H21	179.7°	179.9°
H19	C19	C20	C21	179.9°	179.9°
H19	C19	C20	H20	0.1°	0.1°
C20	C21	N22	H21	180.0°	179.8°
H20	C20	C21	N22	179.7°	179.7°
H20	C20	C21	H21	0.3°	0.0°

Definition date:	2010-12-01
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3PRF