FLP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | C1 | doub | 1.38Å | 1.42Å | Aromatic |
C | C5 | sing | 1.38Å | 1.39Å | Aromatic |
C | H | sing | 1.08Å | 1.10Å | |
C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
C1 | H1 | sing | 1.08Å | 1.10Å | |
C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
C2 | C6 | sing | 1.48Å | 1.40Å | Aromatic |
C3 | C4 | sing | 1.38Å | 1.34Å | Aromatic |
C3 | H3 | sing | 1.08Å | 1.10Å | |
C4 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
C4 | H4 | sing | 1.08Å | 1.10Å | |
C5 | H5 | sing | 1.08Å | 1.10Å | |
C6 | C7 | doub | 1.39Å | 1.42Å | Aromatic |
C6 | C11 | sing | 1.39Å | 1.43Å | Aromatic |
C7 | C8 | sing | 1.38Å | 1.42Å | Aromatic |
C7 | H7 | sing | 1.08Å | 1.10Å | |
C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
C9 | C10 | sing | 1.38Å | 1.35Å | Aromatic |
C9 | C12 | sing | 1.51Å | 1.53Å | |
C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
C10 | H10 | sing | 1.08Å | 1.10Å | |
C11 | F | sing | 1.35Å | 1.32Å | |
C12 | C13 | sing | 1.53Å | 1.55Å | |
C12 | C14 | sing | 1.51Å | 1.49Å | |
C12 | H12 | sing | 1.09Å | 1.11Å | |
C13 | H131 | sing | 1.09Å | 1.12Å | |
C13 | H132 | sing | 1.09Å | 1.11Å | |
C13 | H133 | sing | 1.09Å | 1.12Å | |
C14 | O | doub | 1.21Å | 1.23Å | |
C14 | O1 | sing | 1.34Å | 1.26Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | C | C5 | 118.6° | 120.1° |
C1 | C | H | 121.7° | 119.9° |
C | C1 | C2 | 120.5° | 119.9° |
C | C1 | H1 | 120.9° | 120.0° |
C5 | C | H | 119.7° | 119.9° |
C | C5 | C4 | 119.0° | 120.2° |
C | C5 | H5 | 120.0° | 120.0° |
C2 | C1 | H1 | 118.5° | 120.0° |
C1 | C2 | C3 | 119.2° | 119.7° |
C1 | C2 | C6 | 120.3° | 120.1° |
C3 | C2 | C6 | 120.4° | 120.2° |
C2 | C3 | C4 | 121.1° | 119.9° |
C2 | C3 | H3 | 120.9° | 120.0° |
C2 | C6 | C7 | 120.1° | 120.2° |
C2 | C6 | C11 | 123.8° | 120.1° |
C4 | C3 | H3 | 118.0° | 120.1° |
C3 | C4 | C5 | 121.5° | 120.2° |
C3 | C4 | H4 | 116.8° | 120.0° |
C5 | C4 | H4 | 121.6° | 119.9° |
C4 | C5 | H5 | 121.0° | 119.9° |
C7 | C6 | C11 | 116.1° | 119.7° |
C6 | C7 | C8 | 120.0° | 119.9° |
C6 | C7 | H7 | 120.1° | 120.1° |
C6 | C11 | C10 | 121.7° | 119.8° |
C6 | C11 | F | 122.9° | 120.1° |
C8 | C7 | H7 | 119.9° | 120.0° |
C7 | C8 | C9 | 121.2° | 120.1° |
C7 | C8 | H8 | 121.1° | 119.9° |
C9 | C8 | H8 | 117.7° | 119.9° |
C8 | C9 | C10 | 120.1° | 120.3° |
C8 | C9 | C12 | 123.9° | 119.9° |
C10 | C9 | C12 | 115.9° | 119.9° |
C9 | C10 | C11 | 120.9° | 120.1° |
C9 | C10 | H10 | 117.8° | 119.9° |
C9 | C12 | C13 | 113.7° | 109.5° |
C9 | C12 | C14 | 111.4° | 109.5° |
C9 | C12 | H12 | 106.2° | 109.5° |
C11 | C10 | H10 | 121.3° | 119.9° |
C10 | C11 | F | 115.5° | 120.1° |
C13 | C12 | C14 | 112.4° | 109.5° |
C13 | C12 | H12 | 104.9° | 109.4° |
C12 | C13 | H131 | 113.7° | 109.4° |
C12 | C13 | H132 | 110.7° | 109.5° |
C12 | C13 | H133 | 110.7° | 109.4° |
C14 | C12 | H12 | 107.7° | 109.5° |
C12 | C14 | O | 118.4° | 120.0° |
C12 | C14 | O1 | 118.2° | 120.0° |
H131 | C13 | H132 | 110.6° | 109.5° |
H131 | C13 | H133 | 110.6° | 109.5° |
H132 | C13 | H133 | 99.6° | 109.5° |
O | C14 | O1 | 123.2° | 120.0° |
C14 | O1 | HO1 | 118.2° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1 | C | C5 | H | 180.0° | 179.8° |
C | C1 | C2 | H1 | 180.0° | 179.9° |
C | C1 | C2 | C3 | 0.8° | 0.1° |
C | C1 | C2 | C6 | 177.1° | 180.0° |
C1 | C | C5 | C4 | 0.0° | 0.1° |
C1 | C | C5 | H5 | 180.0° | 180.0° |
C5 | C | C1 | C2 | 0.3° | 0.2° |
C5 | C | C1 | H1 | 179.7° | 179.9° |
C | C5 | C4 | C3 | 0.2° | 0.3° |
C | C5 | C4 | H5 | 180.0° | 180.0° |
C | C5 | C4 | H4 | 179.8° | 180.0° |
H | C | C1 | C2 | 179.7° | 180.0° |
H | C | C1 | H1 | 0.4° | 0.1° |
H | C | C5 | C4 | 180.0° | 179.9° |
H | C | C5 | H5 | 0.0° | 0.1° |
C1 | C2 | C3 | C6 | 178.0° | 179.9° |
C1 | C2 | C3 | C4 | 1.0° | 0.5° |
C1 | C2 | C3 | H3 | 179.0° | 179.9° |
C1 | C2 | C6 | C7 | 48.5° | 120.0° |
C1 | C2 | C6 | C11 | 131.3° | 60.1° |
H1 | C1 | C2 | C3 | 179.2° | 179.8° |
H1 | C1 | C2 | C6 | 2.9° | 0.1° |
C2 | C3 | C4 | H3 | 180.0° | 179.5° |
C2 | C3 | C4 | C5 | 0.8° | 0.6° |
C2 | C3 | C4 | H4 | 179.3° | 179.8° |
C3 | C2 | C6 | C7 | 129.5° | 60.2° |
C3 | C2 | C6 | C11 | 50.8° | 119.8° |
C6 | C2 | C3 | C4 | 176.9° | 179.7° |
C6 | C2 | C3 | H3 | 3.1° | 0.2° |
C2 | C6 | C7 | C11 | 179.7° | 179.9° |
C2 | C6 | C7 | C8 | 179.0° | 179.9° |
C2 | C6 | C7 | H7 | 1.1° | 0.1° |
C2 | C6 | C11 | C10 | 179.2° | 179.8° |
C2 | C6 | C11 | F | 0.7° | 0.1° |
C3 | C4 | C5 | H4 | 180.0° | 179.7° |
C3 | C4 | C5 | H5 | 179.8° | 179.7° |
H3 | C3 | C4 | C5 | 179.3° | 180.0° |
H3 | C3 | C4 | H4 | 0.7° | 0.3° |
H4 | C4 | C5 | H5 | 0.2° | 0.0° |
C6 | C7 | C8 | H7 | 179.9° | 179.9° |
C6 | C7 | C8 | C9 | 0.9° | 0.0° |
C6 | C7 | C8 | H8 | 179.1° | 179.9° |
C7 | C6 | C11 | C10 | 1.1° | 0.2° |
C7 | C6 | C11 | F | 179.0° | 180.0° |
C11 | C6 | C7 | C8 | 1.3° | 0.0° |
C11 | C6 | C7 | H7 | 178.7° | 180.0° |
C6 | C11 | C10 | C9 | 0.5° | 0.5° |
C6 | C11 | C10 | F | 179.9° | 179.8° |
C6 | C11 | C10 | H10 | 179.6° | 180.0° |
C7 | C8 | C9 | H8 | 180.0° | 180.0° |
C7 | C8 | C9 | C10 | 0.2° | 0.3° |
C7 | C8 | C9 | C12 | 177.9° | 180.0° |
H7 | C7 | C8 | C9 | 179.0° | 180.0° |
H7 | C7 | C8 | H8 | 0.9° | 0.0° |
C8 | C9 | C10 | C12 | 178.3° | 179.7° |
C8 | C9 | C10 | C11 | 0.0° | 0.5° |
C8 | C9 | C10 | H10 | 180.0° | 180.0° |
C8 | C9 | C12 | C13 | 27.8° | 120.0° |
C8 | C9 | C12 | C14 | 100.4° | 120.0° |
C8 | C9 | C12 | H12 | 142.7° | 0.0° |
H8 | C8 | C9 | C10 | 179.8° | 179.7° |
H8 | C8 | C9 | C12 | 2.1° | 0.0° |
C9 | C10 | C11 | H10 | 180.0° | 179.4° |
C9 | C10 | C11 | F | 179.6° | 179.7° |
C10 | C9 | C12 | C13 | 150.4° | 59.7° |
C10 | C9 | C12 | C14 | 81.4° | 60.3° |
C10 | C9 | C12 | H12 | 35.5° | 179.7° |
C12 | C9 | C10 | C11 | 178.3° | 179.8° |
C12 | C9 | C10 | H10 | 1.7° | 0.3° |
C9 | C12 | C13 | C14 | 127.6° | 120.1° |
C9 | C12 | C13 | H12 | 115.6° | 120.0° |
C9 | C12 | C14 | H12 | 116.1° | 120.0° |
C9 | C12 | C13 | H131 | 180.0° | 60.0° |
C9 | C12 | C13 | H132 | 54.7° | 60.0° |
C9 | C12 | C13 | H133 | 54.7° | 180.0° |
C9 | C12 | C14 | O | 107.1° | 0.0° |
C9 | C12 | C14 | O1 | 67.3° | 180.0° |
H10 | C10 | C11 | F | 0.4° | 0.3° |
C13 | C12 | C14 | H12 | 115.1° | 120.0° |
C12 | C13 | H131 | H132 | 125.3° | 120.0° |
C12 | C13 | H131 | H133 | 125.3° | 119.9° |
C12 | C13 | H132 | H133 | 116.6° | 120.0° |
C13 | C12 | C14 | O | 124.0° | 120.0° |
C13 | C12 | C14 | O1 | 61.6° | 60.0° |
C14 | C12 | C13 | H131 | 52.4° | 60.0° |
C14 | C12 | C13 | H132 | 72.9° | 180.0° |
C14 | C12 | C13 | H133 | 177.6° | 60.0° |
C12 | C14 | O | O1 | 174.1° | 180.0° |
C12 | C14 | O1 | HO1 | 180.0° | 180.0° |
H12 | C12 | C13 | H131 | 64.4° | 180.0° |
H12 | C12 | C13 | H132 | 170.4° | 60.0° |
H12 | C12 | C13 | H133 | 60.9° | 60.0° |
H12 | C12 | C14 | O | 9.0° | 120.0° |
H12 | C12 | C14 | O1 | 176.7° | 60.0° |
H131 | C13 | H132 | H133 | 116.5° | 120.1° |
O | C14 | O1 | HO1 | 5.9° | 0.0° |