NFL
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F3 | C15 | sing | 1.40Å | 1.33Å | |
C15 | F1 | sing | 1.40Å | 1.33Å | |
C15 | F2 | sing | 1.40Å | 1.33Å | |
C15 | C9 | sing | 1.51Å | 1.51Å | |
C9 | C10 | doub | 1.38Å | 1.42Å | Aromatic |
C9 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
C10 | C11 | sing | 1.39Å | 1.42Å | Aromatic |
C10 | H10 | sing | 1.08Å | 1.10Å | |
C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
C11 | N2 | sing | 1.40Å | 1.39Å | |
C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
C12 | H12 | sing | 1.08Å | 1.10Å | |
C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
C13 | H13 | sing | 1.08Å | 1.10Å | |
C14 | H14 | sing | 1.08Å | 1.10Å | |
N2 | C1 | sing | 1.38Å | 1.39Å | |
N2 | HN2 | sing | 0.97Å | 1.02Å | |
C1 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
C1 | C2 | sing | 1.41Å | 1.52Å | Aromatic |
N1 | C5 | sing | 1.32Å | 1.34Å | Aromatic |
C2 | C6 | sing | 1.47Å | 1.53Å | |
C2 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
C6 | O8 | sing | 1.35Å | 1.23Å | |
C6 | O7 | doub | 1.22Å | 1.23Å | |
O8 | HO8 | sing | 0.97Å | 0.95Å | |
C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
C3 | H3 | sing | 1.08Å | 1.10Å | |
C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
C4 | H4 | sing | 1.08Å | 1.10Å | |
C5 | H5 | sing | 1.08Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F3 | C15 | F1 | 107.2° | 109.5° |
F3 | C15 | F2 | 113.8° | 109.5° |
F3 | C15 | C9 | 111.4° | 109.5° |
F1 | C15 | F2 | 104.4° | 109.4° |
F1 | C15 | C9 | 103.1° | 109.5° |
F2 | C15 | C9 | 115.7° | 109.5° |
C15 | C9 | C10 | 125.2° | 120.0° |
C15 | C9 | C14 | 114.6° | 120.0° |
C10 | C9 | C14 | 120.0° | 120.0° |
C9 | C10 | C11 | 120.7° | 120.0° |
C9 | C10 | H10 | 119.8° | 120.0° |
C9 | C14 | C13 | 119.6° | 120.2° |
C9 | C14 | H14 | 120.4° | 119.9° |
C11 | C10 | H10 | 119.6° | 120.0° |
C10 | C11 | C12 | 117.0° | 119.8° |
C10 | C11 | N2 | 128.6° | 120.1° |
C12 | C11 | N2 | 114.4° | 120.1° |
C11 | C12 | C13 | 122.1° | 119.9° |
C11 | C12 | H12 | 119.0° | 120.0° |
C11 | N2 | C1 | 132.4° | 120.0° |
C11 | N2 | HN2 | 104.3° | 120.0° |
C13 | C12 | H12 | 118.9° | 120.0° |
C12 | C13 | C14 | 120.6° | 120.1° |
C12 | C13 | H13 | 120.1° | 119.9° |
C14 | C13 | H13 | 119.3° | 120.0° |
C13 | C14 | H14 | 120.0° | 119.9° |
C1 | N2 | HN2 | 104.3° | 120.0° |
N2 | C1 | N1 | 120.1° | 119.8° |
N2 | C1 | C2 | 123.2° | 119.9° |
N1 | C1 | C2 | 116.7° | 120.3° |
C1 | N1 | C5 | 123.5° | 121.8° |
C1 | C2 | C6 | 125.8° | 120.6° |
C1 | C2 | C3 | 117.9° | 118.8° |
N1 | C5 | C4 | 121.8° | 121.2° |
N1 | C5 | H5 | 117.5° | 119.4° |
C6 | C2 | C3 | 116.3° | 120.6° |
C2 | C6 | O8 | 121.8° | 120.0° |
C2 | C6 | O7 | 120.9° | 120.0° |
C2 | C3 | C4 | 120.3° | 118.3° |
C2 | C3 | H3 | 120.3° | 120.8° |
O8 | C6 | O7 | 117.3° | 120.0° |
C6 | O8 | HO8 | 121.8° | 120.0° |
C4 | C3 | H3 | 119.5° | 120.8° |
C3 | C4 | C5 | 119.9° | 119.5° |
C3 | C4 | H4 | 120.2° | 120.2° |
C5 | C4 | H4 | 119.8° | 120.3° |
C4 | C5 | H5 | 120.8° | 119.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F3 | C15 | F1 | F2 | 121.1° | 120.0° |
F3 | C15 | F1 | C9 | 117.7° | 120.1° |
F3 | C15 | F2 | C9 | 130.9° | 120.0° |
F3 | C15 | C9 | C10 | 1.7° | 179.7° |
F3 | C15 | C9 | C14 | 177.7° | 0.0° |
F1 | C15 | F2 | C9 | 112.6° | 120.0° |
F1 | C15 | C9 | C10 | 113.0° | 59.7° |
F1 | C15 | C9 | C14 | 63.0° | 120.0° |
F2 | C15 | C9 | C10 | 133.7° | 60.3° |
F2 | C15 | C9 | C14 | 50.3° | 120.0° |
C15 | C9 | C10 | C14 | 175.8° | 179.7° |
C15 | C9 | C10 | C11 | 177.4° | 179.7° |
C15 | C9 | C10 | H10 | 2.6° | 0.3° |
C15 | C9 | C14 | C13 | 177.5° | 180.0° |
C15 | C9 | C14 | H14 | 2.5° | 0.0° |
C9 | C10 | C11 | H10 | 180.0° | 179.5° |
C9 | C10 | C11 | C12 | 1.0° | 0.6° |
C9 | C10 | C11 | N2 | 179.0° | 179.7° |
C10 | C9 | C14 | C13 | 1.3° | 0.3° |
C10 | C9 | C14 | H14 | 178.7° | 179.7° |
C14 | C9 | C10 | C11 | 1.6° | 0.6° |
C14 | C9 | C10 | H10 | 178.4° | 180.0° |
C9 | C14 | C13 | C12 | 0.4° | 0.1° |
C9 | C14 | C13 | H14 | 180.0° | 179.9° |
C9 | C14 | C13 | H13 | 179.7° | 180.0° |
C10 | C11 | C12 | N2 | 180.0° | 179.7° |
C10 | C11 | C12 | C13 | 0.1° | 0.3° |
C10 | C11 | C12 | H12 | 179.9° | 179.8° |
C10 | C11 | N2 | C1 | 0.1° | 146.6° |
C10 | C11 | N2 | HN2 | 125.4° | 33.5° |
H10 | C10 | C11 | C12 | 179.0° | 180.0° |
H10 | C10 | C11 | N2 | 1.0° | 0.2° |
C11 | C12 | C13 | H12 | 180.0° | 179.9° |
C11 | C12 | C13 | C14 | 0.3° | 0.1° |
C11 | C12 | C13 | H13 | 179.7° | 180.0° |
C12 | C11 | N2 | C1 | 179.9° | 33.6° |
C12 | C11 | N2 | HN2 | 54.6° | 146.3° |
N2 | C11 | C12 | C13 | 179.9° | 180.0° |
N2 | C11 | C12 | H12 | 0.1° | 0.0° |
C11 | N2 | C1 | HN2 | 125.3° | 179.9° |
C11 | N2 | C1 | N1 | 0.9° | 6.3° |
C11 | N2 | C1 | C2 | 179.5° | 174.3° |
C12 | C13 | C14 | H13 | 180.0° | 179.9° |
C12 | C13 | C14 | H14 | 179.7° | 180.0° |
H12 | C12 | C13 | C14 | 179.8° | 180.0° |
H12 | C12 | C13 | H13 | 0.3° | 0.1° |
H13 | C13 | C14 | H14 | 0.3° | 0.0° |
N2 | C1 | N1 | C2 | 179.6° | 179.4° |
N2 | C1 | N1 | C5 | 179.8° | 180.0° |
N2 | C1 | C2 | C6 | 0.4° | 0.3° |
N2 | C1 | C2 | C3 | 179.6° | 179.9° |
HN2 | N2 | C1 | N1 | 126.2° | 173.8° |
HN2 | N2 | C1 | C2 | 54.3° | 5.7° |
N1 | C1 | C2 | C6 | 180.0° | 179.7° |
N1 | C1 | C2 | C3 | 0.7° | 0.5° |
C1 | N1 | C5 | C4 | 0.2° | 0.3° |
C1 | N1 | C5 | H5 | 179.8° | 179.7° |
C2 | C1 | N1 | C5 | 0.6° | 0.5° |
C1 | C2 | C6 | C3 | 179.3° | 179.8° |
C1 | C2 | C6 | O8 | 0.1° | 174.3° |
C1 | C2 | C6 | O7 | 179.5° | 5.7° |
C1 | C2 | C3 | C4 | 0.5° | 0.2° |
C1 | C2 | C3 | H3 | 179.5° | 179.8° |
N1 | C5 | C4 | C3 | 0.1° | 0.0° |
N1 | C5 | C4 | H5 | 180.0° | 179.9° |
N1 | C5 | C4 | H4 | 179.9° | 179.9° |
C2 | C6 | O8 | O7 | 179.7° | 180.0° |
C2 | C6 | O8 | HO8 | 180.0° | 180.0° |
C6 | C2 | C3 | C4 | 179.8° | 180.0° |
C6 | C2 | C3 | H3 | 0.2° | 0.0° |
C3 | C2 | C6 | O8 | 179.4° | 5.9° |
C3 | C2 | C6 | O7 | 0.3° | 174.1° |
C2 | C3 | C4 | H3 | 180.0° | 180.0° |
C2 | C3 | C4 | C5 | 0.1° | 0.1° |
C2 | C3 | C4 | H4 | 179.9° | 180.0° |
O7 | C6 | O8 | HO8 | 0.3° | 0.0° |
C3 | C4 | C5 | H4 | 180.0° | 179.9° |
C3 | C4 | C5 | H5 | 179.9° | 180.0° |
H3 | C3 | C4 | C5 | 179.9° | 180.0° |
H3 | C3 | C4 | H4 | 0.1° | 0.1° |
H4 | C4 | C5 | H5 | 0.1° | 0.1° |