FEP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.39Å | |
| C1 | C6 | sing | 1.51Å | 1.38Å | |
| C1 | HC11 | sing | 1.09Å | 1.10Å | |
| C1 | HC12 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.39Å | |
| C2 | HC21 | sing | 1.09Å | 1.10Å | |
| C2 | HC22 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.39Å | |
| C3 | HC31 | sing | 1.09Å | 1.10Å | |
| C3 | HC32 | sing | 1.09Å | 1.10Å | |
| C4 | C13 | sing | 1.51Å | 1.40Å | |
| C4 | HC41 | sing | 1.09Å | 1.10Å | |
| C4 | HC42 | sing | 1.09Å | 1.10Å | |
| C5 | C9 | sing | 1.51Å | 1.29Å | |
| C5 | F1 | sing | 1.40Å | 1.55Å | |
| C5 | F2 | sing | 1.40Å | 1.14Å | |
| C5 | P1 | sing | 1.82Å | 1.89Å | |
| C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | HC7 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | HC8 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | C16 | sing | 1.51Å | 1.27Å | |
| C12 | F3 | sing | 1.40Å | 1.55Å | |
| C12 | F4 | sing | 1.40Å | 1.13Å | |
| C12 | P2 | sing | 1.82Å | 1.92Å | |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | sing | 1.38Å | 1.42Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| P1 | OP1 | doub | 1.48Å | 1.58Å | |
| P1 | OP2 | sing | 1.61Å | 1.60Å | |
| P1 | OP3 | sing | 1.61Å | 1.60Å | |
| OP2 | HO2 | sing | 0.97Å | 0.95Å | |
| OP3 | HO3 | sing | 0.97Å | 0.95Å | |
| P2 | OP4 | doub | 1.48Å | 1.63Å | |
| P2 | OP5 | sing | 1.61Å | 1.63Å | |
| P2 | OP6 | sing | 1.61Å | 1.62Å | |
| OP5 | HO5 | sing | 0.97Å | 0.95Å | |
| OP6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 121.7° | 109.5° |
| C2 | C1 | HC11 | 102.7° | 109.5° |
| C2 | C1 | HC12 | 105.6° | 109.4° |
| C1 | C2 | C3 | 117.8° | 109.5° |
| C1 | C2 | HC21 | 104.8° | 109.5° |
| C1 | C2 | HC22 | 106.8° | 109.4° |
| C6 | C1 | HC11 | 102.7° | 109.5° |
| C6 | C1 | HC12 | 105.6° | 109.5° |
| C1 | C6 | C7 | 118.0° | 120.0° |
| C1 | C6 | C11 | 117.7° | 119.9° |
| HC11 | C1 | HC12 | 119.6° | 109.5° |
| C3 | C2 | HC21 | 104.8° | 109.5° |
| C3 | C2 | HC22 | 106.8° | 109.4° |
| C2 | C3 | C4 | 121.2° | 109.5° |
| C2 | C3 | HC31 | 103.0° | 109.5° |
| C2 | C3 | HC32 | 105.8° | 109.4° |
| HC21 | C2 | HC22 | 116.3° | 109.5° |
| C4 | C3 | HC31 | 103.0° | 109.5° |
| C4 | C3 | HC32 | 105.7° | 109.5° |
| C3 | C4 | C13 | 120.9° | 109.5° |
| C3 | C4 | HC41 | 103.1° | 109.5° |
| C3 | C4 | HC42 | 105.8° | 109.5° |
| HC31 | C3 | HC32 | 119.2° | 109.4° |
| C13 | C4 | HC41 | 103.2° | 109.4° |
| C13 | C4 | HC42 | 105.8° | 109.5° |
| C4 | C13 | C14 | 118.9° | 120.0° |
| C4 | C13 | C18 | 119.9° | 120.0° |
| HC41 | C4 | HC42 | 118.9° | 109.5° |
| C9 | C5 | F1 | 104.4° | 109.5° |
| C9 | C5 | F2 | 106.0° | 109.5° |
| C9 | C5 | P1 | 129.6° | 109.5° |
| C5 | C9 | C8 | 120.7° | 120.0° |
| C5 | C9 | C10 | 120.6° | 120.0° |
| F1 | C5 | F2 | 107.5° | 109.5° |
| F1 | C5 | P1 | 97.2° | 109.5° |
| F2 | C5 | P1 | 110.0° | 109.4° |
| C5 | P1 | OP1 | 107.5° | 109.5° |
| C5 | P1 | OP2 | 111.0° | 109.5° |
| C5 | P1 | OP3 | 107.5° | 109.4° |
| C7 | C6 | C11 | 119.3° | 120.0° |
| C6 | C7 | C8 | 121.0° | 120.0° |
| C6 | C7 | HC7 | 119.5° | 120.0° |
| C6 | C11 | C10 | 119.3° | 119.9° |
| C6 | C11 | H11 | 120.4° | 120.0° |
| C8 | C7 | HC7 | 119.5° | 120.0° |
| C7 | C8 | C9 | 120.4° | 120.0° |
| C7 | C8 | HC8 | 119.8° | 120.0° |
| C9 | C8 | HC8 | 119.8° | 120.0° |
| C8 | C9 | C10 | 118.4° | 120.0° |
| C9 | C10 | C11 | 121.5° | 120.0° |
| C9 | C10 | H10 | 119.2° | 120.0° |
| C11 | C10 | H10 | 119.2° | 120.0° |
| C10 | C11 | H11 | 120.4° | 120.0° |
| C16 | C12 | F3 | 103.3° | 109.5° |
| C16 | C12 | F4 | 105.7° | 109.5° |
| C16 | C12 | P2 | 130.6° | 109.5° |
| C12 | C16 | C15 | 119.5° | 120.0° |
| C12 | C16 | C17 | 121.0° | 120.0° |
| F3 | C12 | F4 | 108.3° | 109.4° |
| F3 | C12 | P2 | 97.4° | 109.5° |
| F4 | C12 | P2 | 109.5° | 109.4° |
| C12 | P2 | OP4 | 108.9° | 109.5° |
| C12 | P2 | OP5 | 109.6° | 109.5° |
| C12 | P2 | OP6 | 109.7° | 109.5° |
| C14 | C13 | C18 | 119.7° | 120.0° |
| C13 | C14 | C15 | 120.6° | 120.0° |
| C13 | C14 | H14 | 119.7° | 120.0° |
| C13 | C18 | C17 | 120.1° | 120.0° |
| C13 | C18 | H18 | 119.9° | 120.0° |
| C15 | C14 | H14 | 119.7° | 120.0° |
| C14 | C15 | C16 | 120.2° | 120.0° |
| C14 | C15 | H15 | 119.9° | 120.0° |
| C16 | C15 | H15 | 119.9° | 119.9° |
| C15 | C16 | C17 | 119.3° | 119.9° |
| C16 | C17 | C18 | 120.0° | 120.1° |
| C16 | C17 | H17 | 120.0° | 120.0° |
| C18 | C17 | H17 | 120.0° | 120.0° |
| C17 | C18 | H18 | 119.9° | 120.0° |
| OP1 | P1 | OP2 | 111.4° | 109.5° |
| OP1 | P1 | OP3 | 110.3° | 109.4° |
| OP2 | P1 | OP3 | 109.1° | 109.5° |
| P1 | OP2 | HO2 | 109.5° | 106.8° |
| P1 | OP3 | HO3 | 109.5° | 106.8° |
| OP4 | P2 | OP5 | 109.0° | 109.5° |
| OP4 | P2 | OP6 | 109.5° | 109.5° |
| OP5 | P2 | OP6 | 110.0° | 109.4° |
| P2 | OP5 | HO5 | 109.5° | 106.8° |
| P2 | OP6 | HO6 | 109.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | HC11 | 113.9° | 120.1° |
| C2 | C1 | C6 | HC12 | 120.0° | 119.9° |
| C2 | C1 | HC11 | HC12 | 116.4° | 119.9° |
| C1 | C2 | C3 | HC21 | 116.1° | 120.1° |
| C1 | C2 | C3 | HC22 | 120.0° | 119.9° |
| C1 | C2 | HC21 | HC22 | 117.6° | 119.9° |
| C1 | C2 | C3 | C4 | 58.6° | 180.0° |
| C1 | C2 | C3 | HC31 | 172.8° | 59.8° |
| C1 | C2 | C3 | HC32 | 61.4° | 60.1° |
| C2 | C1 | C6 | C7 | 76.1° | 89.9° |
| C2 | C1 | C6 | C11 | 128.8° | 90.1° |
| C6 | C1 | HC11 | HC12 | 116.4° | 120.0° |
| C6 | C1 | C2 | C3 | 179.1° | 180.0° |
| C6 | C1 | C2 | HC21 | 63.0° | 59.9° |
| C6 | C1 | C2 | HC22 | 60.9° | 60.1° |
| C1 | C6 | C7 | C11 | 154.6° | 180.0° |
| C1 | C6 | C7 | C8 | 154.3° | 179.9° |
| C1 | C6 | C7 | HC7 | 25.7° | 0.0° |
| C1 | C6 | C11 | C10 | 154.3° | 179.9° |
| C1 | C6 | C11 | H11 | 25.6° | 0.0° |
| HC11 | C1 | C2 | C3 | 65.2° | 59.9° |
| HC11 | C1 | C2 | HC21 | 50.9° | 180.0° |
| HC11 | C1 | C2 | HC22 | 174.8° | 60.0° |
| HC11 | C1 | C6 | C7 | 170.0° | 150.0° |
| HC11 | C1 | C6 | C11 | 14.9° | 30.0° |
| HC12 | C1 | C2 | C3 | 60.9° | 60.1° |
| HC12 | C1 | C2 | HC21 | 176.9° | 60.0° |
| HC12 | C1 | C2 | HC22 | 59.1° | 180.0° |
| HC12 | C1 | C6 | C7 | 43.9° | 30.0° |
| HC12 | C1 | C6 | C11 | 111.1° | 150.0° |
| C3 | C2 | HC21 | HC22 | 117.6° | 119.9° |
| C2 | C3 | C4 | HC31 | 114.2° | 120.1° |
| C2 | C3 | C4 | HC32 | 120.0° | 120.0° |
| C2 | C3 | HC31 | HC32 | 116.6° | 119.9° |
| C2 | C3 | C4 | C13 | 178.8° | 179.9° |
| C2 | C3 | C4 | HC41 | 66.8° | 60.0° |
| C2 | C3 | C4 | HC42 | 58.8° | 60.1° |
| HC21 | C2 | C3 | C4 | 57.4° | 59.9° |
| HC21 | C2 | C3 | HC31 | 56.8° | 180.0° |
| HC21 | C2 | C3 | HC32 | 177.4° | 60.1° |
| HC22 | C2 | C3 | C4 | 178.6° | 60.1° |
| HC22 | C2 | C3 | HC31 | 67.2° | 60.1° |
| HC22 | C2 | C3 | HC32 | 58.6° | 180.0° |
| C4 | C3 | HC31 | HC32 | 116.6° | 120.0° |
| C3 | C4 | C13 | HC41 | 114.4° | 120.0° |
| C3 | C4 | C13 | HC42 | 120.0° | 120.0° |
| C3 | C4 | HC41 | HC42 | 116.7° | 120.0° |
| C3 | C4 | C13 | C14 | 135.3° | 90.0° |
| C3 | C4 | C13 | C18 | 58.8° | 90.3° |
| HC31 | C3 | C4 | C13 | 64.6° | 59.9° |
| HC31 | C3 | C4 | HC41 | 179.0° | 179.9° |
| HC31 | C3 | C4 | HC42 | 55.4° | 60.0° |
| HC32 | C3 | C4 | C13 | 61.2° | 60.0° |
| HC32 | C3 | C4 | HC41 | 53.2° | 60.0° |
| HC32 | C3 | C4 | HC42 | 178.8° | 180.0° |
| C13 | C4 | HC41 | HC42 | 116.7° | 120.0° |
| C4 | C13 | C14 | C18 | 165.9° | 179.7° |
| C4 | C13 | C14 | C15 | 165.9° | 179.9° |
| C4 | C13 | C14 | H14 | 14.1° | 0.0° |
| C4 | C13 | C18 | C17 | 165.8° | 179.9° |
| C4 | C13 | C18 | H18 | 14.2° | 0.2° |
| HC41 | C4 | C13 | C14 | 21.0° | 30.0° |
| HC41 | C4 | C13 | C18 | 173.2° | 149.7° |
| HC42 | C4 | C13 | C14 | 104.7° | 150.0° |
| HC42 | C4 | C13 | C18 | 61.2° | 29.7° |
| C9 | C5 | F1 | F2 | 112.2° | 120.0° |
| C9 | C5 | F1 | P1 | 134.1° | 120.0° |
| C9 | C5 | F2 | P1 | 144.1° | 120.0° |
| C5 | C9 | C8 | C7 | 174.8° | 179.9° |
| C5 | C9 | C8 | C10 | 174.4° | 179.8° |
| C5 | C9 | C8 | HC8 | 5.2° | 0.0° |
| C5 | C9 | C10 | C11 | 174.8° | 179.8° |
| C5 | C9 | C10 | H10 | 5.2° | 0.2° |
| C9 | C5 | P1 | OP1 | 63.8° | 175.8° |
| C9 | C5 | P1 | OP2 | 174.2° | 55.6° |
| C9 | C5 | P1 | OP3 | 54.9° | 64.3° |
| F1 | C5 | F2 | P1 | 104.7° | 120.0° |
| F1 | C5 | C9 | C8 | 26.8° | 28.5° |
| F1 | C5 | C9 | C10 | 159.0° | 151.3° |
| F1 | C5 | P1 | OP1 | 179.3° | 64.2° |
| F1 | C5 | P1 | OP2 | 58.7° | 175.7° |
| F1 | C5 | P1 | OP3 | 60.5° | 55.7° |
| F2 | C5 | C9 | C8 | 140.0° | 148.5° |
| F2 | C5 | C9 | C10 | 45.7° | 31.2° |
| F2 | C5 | P1 | OP1 | 69.1° | 55.7° |
| F2 | C5 | P1 | OP2 | 52.9° | 64.4° |
| F2 | C5 | P1 | OP3 | 172.1° | 175.7° |
| P1 | C5 | C9 | C8 | 85.6° | 91.5° |
| P1 | C5 | C9 | C10 | 88.6° | 88.7° |
| C5 | P1 | OP1 | OP2 | 121.7° | 120.1° |
| C5 | P1 | OP1 | OP3 | 117.0° | 119.9° |
| C5 | P1 | OP2 | OP3 | 118.3° | 119.9° |
| C5 | P1 | OP2 | HO2 | 23.2° | 179.9° |
| C5 | P1 | OP3 | HO3 | 143.4° | 60.0° |
| C6 | C7 | C8 | HC7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.1° | 0.1° |
| C6 | C7 | C8 | HC8 | 179.9° | 180.0° |
| C7 | C6 | C11 | C10 | 0.4° | 0.1° |
| C7 | C6 | C11 | H11 | 179.7° | 180.0° |
| C11 | C6 | C7 | C8 | 0.3° | 0.1° |
| C11 | C6 | C7 | HC7 | 179.7° | 180.0° |
| C6 | C11 | C10 | C9 | 0.0° | 0.4° |
| C6 | C11 | C10 | H11 | 180.0° | 179.8° |
| C6 | C11 | C10 | H10 | 180.0° | 180.0° |
| C7 | C8 | C9 | HC8 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.4° | 0.2° |
| HC7 | C7 | C8 | C9 | 179.9° | 180.0° |
| HC7 | C7 | C8 | HC8 | 0.1° | 0.1° |
| C8 | C9 | C10 | C11 | 0.4° | 0.4° |
| C8 | C9 | C10 | H10 | 179.6° | 180.0° |
| HC8 | C8 | C9 | C10 | 179.6° | 179.7° |
| C9 | C10 | C11 | H10 | 180.0° | 179.6° |
| C9 | C10 | C11 | H11 | 180.0° | 179.8° |
| H10 | C10 | C11 | H11 | 0.0° | 0.2° |
| C16 | C12 | F3 | F4 | 111.8° | 120.0° |
| C16 | C12 | F3 | P2 | 134.8° | 120.0° |
| C16 | C12 | F4 | P2 | 144.7° | 120.0° |
| C12 | C16 | C15 | C14 | 175.0° | 179.9° |
| C12 | C16 | C15 | C17 | 175.0° | 179.9° |
| C12 | C16 | C15 | H15 | 5.0° | 0.1° |
| C12 | C16 | C17 | C18 | 174.9° | 179.9° |
| C12 | C16 | C17 | H17 | 5.0° | 0.0° |
| C16 | C12 | P2 | OP4 | 70.0° | 178.4° |
| C16 | C12 | P2 | OP5 | 170.8° | 58.3° |
| C16 | C12 | P2 | OP6 | 49.9° | 61.6° |
| F3 | C12 | F4 | P2 | 105.1° | 120.0° |
| F3 | C12 | C16 | C15 | 96.5° | 152.8° |
| F3 | C12 | C16 | C17 | 78.4° | 27.2° |
| F3 | C12 | P2 | OP4 | 175.4° | 61.5° |
| F3 | C12 | P2 | OP5 | 56.1° | 178.4° |
| F3 | C12 | P2 | OP6 | 64.8° | 58.5° |
| F4 | C12 | C16 | C15 | 149.9° | 32.8° |
| F4 | C12 | C16 | C17 | 35.2° | 147.1° |
| F4 | C12 | P2 | OP4 | 63.0° | 58.4° |
| F4 | C12 | P2 | OP5 | 56.3° | 61.7° |
| F4 | C12 | P2 | OP6 | 177.1° | 178.4° |
| P2 | C12 | C16 | C15 | 15.6° | 87.2° |
| P2 | C12 | C16 | C17 | 169.5° | 92.9° |
| C12 | P2 | OP4 | OP5 | 119.6° | 120.1° |
| C12 | P2 | OP4 | OP6 | 120.0° | 120.0° |
| C12 | P2 | OP5 | OP6 | 120.7° | 119.9° |
| C12 | P2 | OP5 | HO5 | 28.9° | 180.0° |
| C12 | P2 | OP6 | HO6 | 149.7° | 65.4° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.0° | 0.0° |
| C13 | C14 | C15 | H15 | 180.0° | 179.9° |
| C14 | C13 | C18 | C17 | 0.1° | 0.5° |
| C14 | C13 | C18 | H18 | 179.9° | 179.9° |
| C18 | C13 | C14 | C15 | 0.0° | 0.3° |
| C18 | C13 | C14 | H14 | 180.0° | 179.7° |
| C13 | C18 | C17 | C16 | 0.1° | 0.4° |
| C13 | C18 | C17 | H18 | 180.0° | 179.6° |
| C13 | C18 | C17 | H17 | 179.9° | 179.7° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.0° | 0.0° |
| H14 | C14 | C15 | C16 | 180.0° | 179.9° |
| H14 | C14 | C15 | H15 | 0.0° | 0.1° |
| C15 | C16 | C17 | C18 | 0.1° | 0.2° |
| C15 | C16 | C17 | H17 | 179.9° | 179.9° |
| H15 | C15 | C16 | C17 | 180.0° | 180.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | H18 | 179.9° | 180.0° |
| H17 | C17 | C18 | H18 | 0.1° | 0.1° |
| OP1 | P1 | OP2 | OP3 | 122.0° | 120.0° |
| OP1 | P1 | OP2 | HO2 | 96.5° | 60.0° |
| OP1 | P1 | OP3 | HO3 | 99.7° | 180.0° |
| OP2 | P1 | OP3 | HO3 | 23.0° | 59.9° |
| OP3 | P1 | OP2 | HO2 | 141.5° | 60.0° |
| OP4 | P2 | OP5 | OP6 | 120.1° | 120.0° |
| OP4 | P2 | OP5 | HO5 | 90.2° | 59.9° |
| OP4 | P2 | OP6 | HO6 | 90.8° | 174.6° |
| OP5 | P2 | OP6 | HO6 | 29.0° | 54.6° |
| OP6 | P2 | OP5 | HO5 | 149.6° | 60.0° |
