F1G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F18 | C15 | sing | 1.40Å | 1.32Å | |
| C15 | F16 | sing | 1.40Å | 1.32Å | |
| C15 | F17 | sing | 1.40Å | 1.32Å | |
| C15 | C12 | sing | 1.51Å | 1.50Å | |
| C12 | C9 | sing | 1.43Å | 1.38Å | Aromatic |
| C12 | N13 | doub | 1.30Å | 1.36Å | Aromatic |
| C9 | C10 | doub | 1.40Å | 1.34Å | Aromatic |
| C9 | C8 | sing | 1.40Å | 1.47Å | Aromatic |
| C10 | N14 | sing | 1.35Å | 1.33Å | Aromatic |
| C10 | S11 | sing | 1.77Å | 1.74Å | Aromatic |
| N14 | C19 | sing | 1.47Å | 1.49Å | |
| N14 | N13 | sing | 1.40Å | 1.42Å | Aromatic |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| S11 | C6 | sing | 1.79Å | 1.69Å | Aromatic |
| C8 | C6 | doub | 1.36Å | 1.36Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | C5 | sing | 1.47Å | 1.46Å | |
| C5 | O7 | doub | 1.22Å | 1.22Å | |
| C5 | N4 | sing | 1.35Å | 1.34Å | |
| N4 | C3 | sing | 1.47Å | 1.45Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C2 | S1 | sing | 1.81Å | 1.81Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| S1 | HS1 | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F18 | C15 | F16 | 109.5° | 109.5° |
| F18 | C15 | F17 | 109.4° | 109.4° |
| F18 | C15 | C12 | 109.3° | 109.5° |
| F16 | C15 | F17 | 109.2° | 109.5° |
| F16 | C15 | C12 | 109.8° | 109.5° |
| F17 | C15 | C12 | 109.5° | 109.5° |
| C15 | C12 | C9 | 134.7° | 125.5° |
| C15 | C12 | N13 | 117.1° | 125.4° |
| C9 | C12 | N13 | 108.2° | 109.1° |
| C12 | C9 | C10 | 106.8° | 104.9° |
| C12 | C9 | C8 | 139.1° | 139.2° |
| C12 | N13 | N14 | 106.8° | 109.4° |
| C10 | C9 | C8 | 114.0° | 115.9° |
| C9 | C10 | N14 | 111.9° | 108.7° |
| C9 | C10 | S11 | 112.0° | 103.4° |
| C9 | C8 | C6 | 107.0° | 119.7° |
| C9 | C8 | H8 | 126.5° | 120.2° |
| N14 | C10 | S11 | 136.1° | 147.9° |
| C10 | N14 | C19 | 135.9° | 126.1° |
| C10 | N14 | N13 | 106.3° | 108.0° |
| C10 | S11 | C6 | 89.8° | 98.3° |
| C19 | N14 | N13 | 117.9° | 126.0° |
| N14 | C19 | H191 | 109.5° | 109.5° |
| N14 | C19 | H192 | 109.5° | 109.4° |
| N14 | C19 | H193 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H191 | C19 | H193 | 109.5° | 109.5° |
| H192 | C19 | H193 | 109.4° | 109.5° |
| S11 | C6 | C8 | 117.2° | 102.7° |
| S11 | C6 | C5 | 120.8° | 128.6° |
| C6 | C8 | H8 | 126.5° | 120.1° |
| C8 | C6 | C5 | 122.1° | 128.7° |
| C6 | C5 | O7 | 118.1° | 120.0° |
| C6 | C5 | N4 | 119.5° | 120.0° |
| O7 | C5 | N4 | 122.4° | 120.0° |
| C5 | N4 | C3 | 122.7° | 120.0° |
| C5 | N4 | HN4 | 118.6° | 120.0° |
| C3 | N4 | HN4 | 118.6° | 120.0° |
| N4 | C3 | C2 | 112.9° | 109.4° |
| N4 | C3 | H31 | 107.6° | 109.4° |
| N4 | C3 | H32 | 108.3° | 109.4° |
| C2 | C3 | H31 | 107.5° | 109.5° |
| C2 | C3 | H32 | 108.4° | 109.5° |
| C3 | C2 | S1 | 109.8° | 109.4° |
| C3 | C2 | H21 | 109.3° | 109.5° |
| C3 | C2 | H22 | 109.4° | 109.5° |
| H31 | C3 | H32 | 112.2° | 109.5° |
| S1 | C2 | H21 | 109.3° | 109.5° |
| S1 | C2 | H22 | 109.4° | 109.4° |
| C2 | S1 | HS1 | 109.5° | 100.0° |
| H21 | C2 | H22 | 109.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F18 | C15 | F16 | F17 | 119.8° | 120.0° |
| F18 | C15 | F16 | C12 | 120.0° | 120.0° |
| F18 | C15 | F17 | C12 | 119.7° | 120.0° |
| F18 | C15 | C12 | C9 | 24.0° | 65.0° |
| F18 | C15 | C12 | N13 | 156.1° | 114.9° |
| F16 | C15 | F17 | C12 | 120.4° | 120.0° |
| F16 | C15 | C12 | C9 | 144.2° | 175.0° |
| F16 | C15 | C12 | N13 | 35.9° | 5.1° |
| F17 | C15 | C12 | C9 | 95.8° | 55.0° |
| F17 | C15 | C12 | N13 | 84.1° | 125.1° |
| C15 | C12 | C9 | N13 | 179.9° | 180.0° |
| C15 | C12 | C9 | C10 | 180.0° | 179.8° |
| C15 | C12 | C9 | C8 | 0.1° | 0.0° |
| C15 | C12 | N13 | N14 | 180.0° | 180.0° |
| C12 | C9 | C10 | C8 | 179.9° | 179.8° |
| C12 | C9 | C10 | N14 | 0.1° | 0.4° |
| C12 | C9 | C10 | S11 | 180.0° | 179.8° |
| C9 | C12 | N13 | N14 | 0.1° | 0.0° |
| C12 | C9 | C8 | C6 | 179.8° | 180.0° |
| C12 | C9 | C8 | H8 | 0.1° | 0.1° |
| N13 | C12 | C9 | C10 | 0.1° | 0.3° |
| N13 | C12 | C9 | C8 | 180.0° | 180.0° |
| C12 | N13 | N14 | C10 | 0.0° | 0.2° |
| C12 | N13 | N14 | C19 | 180.0° | 180.0° |
| C9 | C10 | N14 | S11 | 179.9° | 179.0° |
| C9 | C10 | N14 | C19 | 180.0° | 179.9° |
| C9 | C10 | N14 | N13 | 0.0° | 0.4° |
| C9 | C10 | S11 | C6 | 0.1° | 0.3° |
| C10 | C9 | C8 | C6 | 0.0° | 0.2° |
| C10 | C9 | C8 | H8 | 180.0° | 179.7° |
| C8 | C9 | C10 | N14 | 180.0° | 179.8° |
| C8 | C9 | C10 | S11 | 0.1° | 0.3° |
| C9 | C8 | C6 | S11 | 0.2° | 0.0° |
| C9 | C8 | C6 | H8 | 180.0° | 179.9° |
| C9 | C8 | C6 | C5 | 179.8° | 180.0° |
| C10 | N14 | C19 | N13 | 180.0° | 179.7° |
| C10 | N14 | C19 | H191 | 36.8° | 90.3° |
| C10 | N14 | C19 | H192 | 156.8° | 29.7° |
| C10 | N14 | C19 | H193 | 83.2° | 149.7° |
| N14 | C10 | S11 | C6 | 180.0° | 179.3° |
| S11 | C10 | N14 | C19 | 0.1° | 0.9° |
| S11 | C10 | N14 | N13 | 179.9° | 179.4° |
| C10 | S11 | C6 | C8 | 0.2° | 0.2° |
| C10 | S11 | C6 | C5 | 179.8° | 179.8° |
| N14 | C19 | H191 | H192 | 120.0° | 119.9° |
| N14 | C19 | H191 | H193 | 120.0° | 120.0° |
| N14 | C19 | H192 | H193 | 120.0° | 120.0° |
| N13 | N14 | C19 | H191 | 143.2° | 90.0° |
| N13 | N14 | C19 | H192 | 23.2° | 150.0° |
| N13 | N14 | C19 | H193 | 96.8° | 30.0° |
| H191 | C19 | H192 | H193 | 120.0° | 120.1° |
| S11 | C6 | C8 | C5 | 179.6° | 180.0° |
| S11 | C6 | C8 | H8 | 179.9° | 179.9° |
| S11 | C6 | C5 | O7 | 54.3° | 180.0° |
| S11 | C6 | C5 | N4 | 125.6° | 0.0° |
| C8 | C6 | C5 | O7 | 125.3° | 0.0° |
| C8 | C6 | C5 | N4 | 54.7° | 180.0° |
| H8 | C8 | C6 | C5 | 0.2° | 0.1° |
| C6 | C5 | O7 | N4 | 180.0° | 180.0° |
| C6 | C5 | N4 | C3 | 160.3° | 180.0° |
| C6 | C5 | N4 | HN4 | 19.7° | 0.0° |
| O7 | C5 | N4 | C3 | 19.7° | 0.0° |
| O7 | C5 | N4 | HN4 | 160.3° | 180.0° |
| C5 | N4 | C3 | HN4 | 180.0° | 180.0° |
| C5 | N4 | C3 | C2 | 157.9° | 180.0° |
| C5 | N4 | C3 | H31 | 83.7° | 60.0° |
| C5 | N4 | C3 | H32 | 37.8° | 60.0° |
| N4 | C3 | C2 | H31 | 118.5° | 120.0° |
| N4 | C3 | C2 | H32 | 120.0° | 120.0° |
| N4 | C3 | H31 | H32 | 119.0° | 120.0° |
| N4 | C3 | C2 | S1 | 123.3° | 180.0° |
| N4 | C3 | C2 | H21 | 3.4° | 60.0° |
| N4 | C3 | C2 | H22 | 116.7° | 60.0° |
| HN4 | N4 | C3 | C2 | 22.2° | 0.0° |
| HN4 | N4 | C3 | H31 | 96.3° | 120.0° |
| HN4 | N4 | C3 | H32 | 142.2° | 120.0° |
| C2 | C3 | H31 | H32 | 119.1° | 120.1° |
| C3 | C2 | S1 | H21 | 119.9° | 120.0° |
| C3 | C2 | S1 | H22 | 120.0° | 120.0° |
| C3 | C2 | H21 | H22 | 119.9° | 120.1° |
| C3 | C2 | S1 | HS1 | 145.5° | 180.0° |
| H31 | C3 | C2 | S1 | 118.2° | 60.0° |
| H31 | C3 | C2 | H21 | 121.9° | 180.0° |
| H31 | C3 | C2 | H22 | 1.8° | 59.9° |
| H32 | C3 | C2 | S1 | 3.3° | 60.1° |
| H32 | C3 | C2 | H21 | 116.6° | 59.9° |
| H32 | C3 | C2 | H22 | 123.2° | 180.0° |
| S1 | C2 | H21 | H22 | 119.9° | 120.0° |
| H21 | C2 | S1 | HS1 | 94.7° | 60.0° |
| H22 | C2 | S1 | HS1 | 25.5° | 60.1° |
