F79
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C6 | doub | 1.39Å | 1.44Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.49Å | Aromatic |
| C1 | N16 | sing | 1.43Å | 1.40Å | |
| C2 | C3 | doub | 1.39Å | 1.47Å | Aromatic |
| C2 | C13 | sing | 1.46Å | 1.47Å | |
| C3 | C4 | sing | 1.40Å | 1.48Å | Aromatic |
| C3 | O9 | sing | 1.36Å | 1.45Å | |
| C4 | C7 | sing | 1.49Å | 1.52Å | |
| C4 | C5 | doub | 1.39Å | 1.44Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.43Å | Aromatic |
| C5 | H5 | sing | 1.09Å | 1.08Å | |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | H71 | sing | 1.10Å | 1.10Å | |
| C7 | H72 | sing | 1.10Å | 1.10Å | |
| C8 | H81 | sing | 1.10Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H83 | sing | 1.09Å | 1.10Å | |
| O9 | C10 | sing | 1.42Å | 1.46Å | |
| C10 | C11 | sing | 1.52Å | 1.54Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | N12 | sing | 1.48Å | 1.45Å | |
| C11 | H111 | sing | 1.10Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| N12 | H121 | sing | 0.99Å | 1.00Å | |
| N12 | H122 | sing | 0.99Å | 1.00Å | |
| C13 | O14 | doub | 1.23Å | 1.33Å | |
| C13 | O15 | sing | 1.36Å | 1.19Å | |
| O15 | HO15 | sing | 0.98Å | 0.95Å | |
| N16 | S17 | sing | 1.72Å | 1.67Å | |
| N16 | HN16 | sing | 1.03Å | 1.00Å | |
| S17 | O19 | doub | 1.45Å | 1.44Å | |
| S17 | O20 | doub | 1.45Å | 1.45Å | |
| S17 | C18 | sing | 1.77Å | 1.77Å | |
| C18 | C21 | doub | 1.38Å | 1.42Å | Aromatic |
| C18 | C25 | sing | 1.38Å | 1.42Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.42Å | Aromatic |
| C21 | H21 | sing | 1.09Å | 1.08Å | |
| C22 | C23 | doub | 1.39Å | 1.41Å | Aromatic |
| C22 | H22 | sing | 1.09Å | 1.08Å | |
| C23 | C24 | sing | 1.40Å | 1.41Å | Aromatic |
| C23 | F26 | sing | 1.34Å | 1.33Å | |
| C24 | C25 | doub | 1.40Å | 1.41Å | Aromatic |
| C24 | H24 | sing | 1.09Å | 1.08Å | |
| C25 | H25 | sing | 1.09Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | C2 | 118.0° | 120.0° |
| C6 | C1 | N16 | 120.2° | 119.0° |
| C1 | C6 | C5 | 121.5° | 120.0° |
| C1 | C6 | H6 | 119.3° | 120.6° |
| C2 | C1 | N16 | 121.9° | 121.1° |
| C1 | C2 | C3 | 120.6° | 120.0° |
| C1 | C2 | C13 | 120.8° | 120.3° |
| C1 | N16 | S17 | 123.7° | 118.7° |
| C1 | N16 | HN16 | 105.0° | 115.1° |
| C3 | C2 | C13 | 118.6° | 119.7° |
| C2 | C3 | C4 | 119.0° | 120.0° |
| C2 | C3 | O9 | 120.9° | 120.3° |
| C2 | C13 | O14 | 114.7° | 125.3° |
| C2 | C13 | O15 | 123.4° | 112.2° |
| C4 | C3 | O9 | 120.1° | 119.7° |
| C3 | C4 | C7 | 123.6° | 120.8° |
| C3 | C4 | C5 | 119.0° | 120.0° |
| C3 | O9 | C10 | 117.1° | 117.0° |
| C7 | C4 | C5 | 117.4° | 119.2° |
| C4 | C7 | C8 | 112.4° | 112.3° |
| C4 | C7 | H71 | 108.5° | 110.3° |
| C4 | C7 | H72 | 107.8° | 110.3° |
| C4 | C5 | C6 | 122.0° | 120.0° |
| C4 | C5 | H5 | 119.0° | 120.5° |
| C6 | C5 | H5 | 119.0° | 119.4° |
| C5 | C6 | H6 | 119.2° | 119.4° |
| C8 | C7 | H71 | 108.5° | 109.1° |
| C8 | C7 | H72 | 107.8° | 109.2° |
| C7 | C8 | H81 | 109.5° | 111.0° |
| C7 | C8 | H82 | 109.5° | 110.6° |
| C7 | C8 | H83 | 109.4° | 111.1° |
| H71 | C7 | H72 | 111.8° | 105.4° |
| H81 | C8 | H82 | 109.5° | 108.0° |
| H81 | C8 | H83 | 109.4° | 107.9° |
| H82 | C8 | H83 | 109.5° | 108.1° |
| O9 | C10 | C11 | 113.0° | 109.4° |
| O9 | C10 | H101 | 108.3° | 108.0° |
| O9 | C10 | H102 | 107.5° | 108.8° |
| C11 | C10 | H101 | 108.3° | 110.0° |
| C11 | C10 | H102 | 107.5° | 111.5° |
| C10 | C11 | N12 | 114.5° | 109.6° |
| C10 | C11 | H111 | 107.8° | 111.3° |
| C10 | C11 | H112 | 106.6° | 110.4° |
| H101 | C10 | H102 | 112.3° | 109.0° |
| N12 | C11 | H111 | 107.8° | 108.2° |
| N12 | C11 | H112 | 106.7° | 108.2° |
| C11 | N12 | H121 | 109.5° | 117.0° |
| C11 | N12 | H122 | 109.4° | 117.0° |
| H111 | C11 | H112 | 113.5° | 109.1° |
| H121 | N12 | H122 | 109.5° | 124.4° |
| O14 | C13 | O15 | 121.9° | 122.5° |
| C13 | O15 | HO15 | 109.5° | 112.9° |
| S17 | N16 | HN16 | 105.0° | 115.6° |
| N16 | S17 | O19 | 106.5° | 108.9° |
| N16 | S17 | O20 | 110.3° | 110.1° |
| N16 | S17 | C18 | 103.1° | 101.9° |
| O19 | S17 | O20 | 118.6° | 119.8° |
| O19 | S17 | C18 | 108.2° | 106.8° |
| O20 | S17 | C18 | 109.1° | 107.8° |
| S17 | C18 | C21 | 118.5° | 119.1° |
| S17 | C18 | C25 | 120.4° | 119.1° |
| C21 | C18 | C25 | 121.1° | 121.8° |
| C18 | C21 | C22 | 119.3° | 119.1° |
| C18 | C21 | H21 | 120.3° | 121.5° |
| C18 | C25 | C24 | 119.6° | 119.1° |
| C18 | C25 | H25 | 120.2° | 121.6° |
| C22 | C21 | H21 | 120.3° | 119.4° |
| C21 | C22 | C23 | 118.5° | 120.0° |
| C21 | C22 | H22 | 120.7° | 120.0° |
| C23 | C22 | H22 | 120.7° | 120.0° |
| C22 | C23 | C24 | 122.5° | 120.0° |
| C22 | C23 | F26 | 118.8° | 120.0° |
| C24 | C23 | F26 | 118.7° | 120.0° |
| C23 | C24 | C25 | 118.9° | 120.0° |
| C23 | C24 | H24 | 120.6° | 119.9° |
| C25 | C24 | H24 | 120.5° | 120.1° |
| C24 | C25 | H25 | 120.2° | 119.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | C2 | N16 | 179.7° | 180.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.0° |
| C6 | C1 | C2 | C13 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | H5 | 180.0° | 180.0° |
| C6 | C1 | N16 | S17 | 76.8° | 66.7° |
| C6 | C1 | N16 | HN16 | 43.2° | 150.0° |
| C1 | C2 | C3 | C13 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C1 | C2 | C3 | O9 | 179.7° | 180.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C2 | C1 | C6 | H6 | 179.9° | 180.0° |
| C1 | C2 | C13 | O14 | 60.8° | 90.0° |
| C1 | C2 | C13 | O15 | 120.8° | 90.1° |
| C2 | C1 | N16 | S17 | 103.6° | 113.3° |
| C2 | C1 | N16 | HN16 | 136.5° | 30.0° |
| N16 | C1 | C2 | C3 | 179.7° | 180.0° |
| N16 | C1 | C2 | C13 | 0.3° | 0.0° |
| N16 | C1 | C6 | C5 | 179.7° | 180.0° |
| N16 | C1 | C6 | H6 | 0.3° | 0.0° |
| C1 | N16 | S17 | HN16 | 120.0° | 143.1° |
| C1 | N16 | S17 | O19 | 177.2° | 165.8° |
| C1 | N16 | S17 | O20 | 47.3° | 61.1° |
| C1 | N16 | S17 | C18 | 69.1° | 53.1° |
| C2 | C3 | C4 | O9 | 179.8° | 179.9° |
| C2 | C3 | C4 | C7 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C2 | C3 | O9 | C10 | 97.9° | 90.0° |
| C3 | C2 | C13 | O14 | 119.2° | 90.0° |
| C3 | C2 | C13 | O15 | 59.2° | 90.0° |
| C13 | C2 | C3 | C4 | 180.0° | 180.0° |
| C13 | C2 | C3 | O9 | 0.2° | 0.0° |
| C2 | C13 | O14 | O15 | 178.4° | 179.9° |
| C2 | C13 | O15 | HO15 | 178.3° | 179.9° |
| C3 | C4 | C7 | C5 | 179.9° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C3 | C4 | C7 | C8 | 61.8° | 89.9° |
| C3 | C4 | C7 | H71 | 58.2° | 32.0° |
| C3 | C4 | C7 | H72 | 179.5° | 148.1° |
| C4 | C3 | O9 | C10 | 82.3° | 90.0° |
| O9 | C3 | C4 | C7 | 0.2° | 0.1° |
| O9 | C3 | C4 | C5 | 179.8° | 180.0° |
| C3 | O9 | C10 | C11 | 97.2° | 150.3° |
| C3 | O9 | C10 | H101 | 142.8° | 90.0° |
| C3 | O9 | C10 | H102 | 21.3° | 28.2° |
| C7 | C4 | C5 | C6 | 180.0° | 180.0° |
| C7 | C4 | C5 | H5 | 0.0° | 0.0° |
| C4 | C7 | C8 | H71 | 120.0° | 122.6° |
| C4 | C7 | C8 | H72 | 118.7° | 122.6° |
| C4 | C7 | H71 | H72 | 118.8° | 119.1° |
| C4 | C7 | C8 | H81 | 133.5° | 60.1° |
| C4 | C7 | C8 | H82 | 106.5° | 179.9° |
| C4 | C7 | C8 | H83 | 13.5° | 59.9° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C5 | C4 | C7 | C8 | 118.2° | 90.0° |
| C5 | C4 | C7 | H71 | 121.8° | 148.0° |
| C5 | C4 | C7 | H72 | 0.5° | 32.0° |
| H5 | C5 | C6 | H6 | 0.0° | 0.0° |
| C8 | C7 | H71 | H72 | 118.8° | 117.2° |
| C7 | C8 | H81 | H82 | 120.0° | 121.5° |
| C7 | C8 | H81 | H83 | 120.0° | 121.9° |
| C7 | C8 | H82 | H83 | 120.0° | 121.8° |
| H71 | C7 | C8 | H81 | 13.5° | 177.3° |
| H71 | C7 | C8 | H82 | 133.5° | 57.4° |
| H71 | C7 | C8 | H83 | 106.5° | 62.7° |
| H72 | C7 | C8 | H81 | 107.8° | 62.5° |
| H72 | C7 | C8 | H82 | 12.2° | 57.4° |
| H72 | C7 | C8 | H83 | 132.2° | 177.4° |
| H81 | C8 | H82 | H83 | 120.0° | 116.5° |
| O9 | C10 | C11 | H101 | 120.0° | 118.5° |
| O9 | C10 | C11 | H102 | 118.5° | 120.4° |
| O9 | C10 | H101 | H102 | 118.6° | 118.1° |
| O9 | C10 | C11 | N12 | 47.6° | 178.5° |
| O9 | C10 | C11 | H111 | 72.4° | 61.8° |
| O9 | C10 | C11 | H112 | 165.3° | 59.4° |
| C11 | C10 | H101 | H102 | 118.6° | 122.6° |
| C10 | C11 | N12 | H111 | 120.0° | 121.5° |
| C10 | C11 | N12 | H112 | 117.7° | 120.4° |
| C10 | C11 | H111 | H112 | 117.9° | 122.0° |
| C10 | C11 | N12 | H121 | 100.0° | 96.1° |
| C10 | C11 | N12 | H122 | 20.0° | 70.4° |
| H101 | C10 | C11 | N12 | 72.4° | 60.0° |
| H101 | C10 | C11 | H111 | 167.6° | 179.7° |
| H101 | C10 | C11 | H112 | 45.3° | 59.1° |
| H102 | C10 | C11 | N12 | 166.1° | 61.1° |
| H102 | C10 | C11 | H111 | 46.0° | 58.6° |
| H102 | C10 | C11 | H112 | 76.2° | 179.8° |
| N12 | C11 | H111 | H112 | 117.9° | 117.5° |
| C11 | N12 | H121 | H122 | 120.0° | 165.4° |
| H111 | C11 | N12 | H121 | 139.9° | 25.4° |
| H111 | C11 | N12 | H122 | 100.0° | 168.1° |
| H112 | C11 | N12 | H121 | 17.7° | 143.4° |
| H112 | C11 | N12 | H122 | 137.7° | 50.1° |
| O14 | C13 | O15 | HO15 | 0.0° | 0.0° |
| N16 | S17 | O19 | O20 | 125.0° | 127.9° |
| N16 | S17 | O19 | C18 | 110.3° | 109.4° |
| N16 | S17 | O20 | C18 | 112.6° | 110.4° |
| N16 | S17 | C18 | C21 | 78.8° | 90.0° |
| N16 | S17 | C18 | C25 | 100.3° | 90.0° |
| HN16 | N16 | S17 | O19 | 57.2° | 22.7° |
| HN16 | N16 | S17 | O20 | 72.7° | 155.9° |
| HN16 | N16 | S17 | C18 | 170.9° | 90.0° |
| O19 | S17 | O20 | C18 | 124.3° | 122.3° |
| O19 | S17 | C18 | C21 | 33.7° | 24.2° |
| O19 | S17 | C18 | C25 | 147.2° | 155.8° |
| O20 | S17 | C18 | C21 | 163.9° | 154.1° |
| O20 | S17 | C18 | C25 | 17.0° | 25.8° |
| S17 | C18 | C21 | C25 | 179.0° | 180.0° |
| S17 | C18 | C21 | C22 | 178.9° | 180.0° |
| S17 | C18 | C21 | H21 | 1.1° | 0.0° |
| S17 | C18 | C25 | C24 | 178.9° | 180.0° |
| S17 | C18 | C25 | H25 | 1.1° | 0.0° |
| C18 | C21 | C22 | H21 | 180.0° | 180.0° |
| C18 | C21 | C22 | C23 | 0.1° | 0.0° |
| C18 | C21 | C22 | H22 | 179.9° | 180.0° |
| C21 | C18 | C25 | C24 | 0.1° | 0.0° |
| C21 | C18 | C25 | H25 | 179.9° | 180.0° |
| C25 | C18 | C21 | C22 | 0.2° | 0.0° |
| C25 | C18 | C21 | H21 | 179.9° | 180.0° |
| C18 | C25 | C24 | C23 | 0.1° | 0.0° |
| C18 | C25 | C24 | H25 | 180.0° | 180.0° |
| C18 | C25 | C24 | H24 | 179.9° | 179.9° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.1° | 0.0° |
| C21 | C22 | C23 | F26 | 179.8° | 180.0° |
| H21 | C21 | C22 | C23 | 180.0° | 180.0° |
| H21 | C21 | C22 | H22 | 0.1° | 0.1° |
| C22 | C23 | C24 | F26 | 179.9° | 179.9° |
| C22 | C23 | C24 | C25 | 0.2° | 0.0° |
| C22 | C23 | C24 | H24 | 179.8° | 179.9° |
| H22 | C22 | C23 | C24 | 179.9° | 180.0° |
| H22 | C22 | C23 | F26 | 0.2° | 0.1° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | H25 | 179.9° | 179.9° |
| F26 | C23 | C24 | C25 | 179.7° | 180.0° |
| F26 | C23 | C24 | H24 | 0.3° | 0.1° |
| H24 | C24 | C25 | H25 | 0.1° | 0.0° |
