F0Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.48Å | 1.48Å | |
| C5 | C | doub | 1.40Å | 1.38Å | Aromatic |
| C1 | C | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | N | doub | 1.29Å | 1.26Å | |
| C6 | N1 | sing | 1.38Å | 1.34Å | |
| N | C7 | sing | 1.46Å | 1.46Å | |
| C | S | sing | 1.76Å | 1.74Å | |
| N1 | C9 | sing | 1.47Å | 1.45Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| C8 | C9 | sing | 1.54Å | 1.52Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| S | H2 | sing | 1.35Å | 1.30Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C3 | C2 | 118.6° | 120.3° |
| C3 | C4 | C5 | 120.4° | 120.0° |
| C3 | C4 | H3 | 119.8° | 120.0° |
| C4 | C3 | H4 | 120.7° | 119.8° |
| C3 | C2 | C1 | 120.1° | 120.4° |
| C2 | C3 | H4 | 120.7° | 119.9° |
| C3 | C2 | H5 | 120.0° | 119.7° |
| C4 | C5 | C6 | 117.1° | 120.2° |
| C4 | C5 | C | 122.0° | 119.6° |
| C5 | C4 | H3 | 119.8° | 120.0° |
| C2 | C1 | C | 121.7° | 120.1° |
| C2 | C1 | H1 | 119.1° | 120.0° |
| C1 | C2 | H5 | 120.0° | 119.9° |
| C6 | C5 | C | 120.9° | 120.2° |
| C5 | C6 | N | 119.9° | 118.9° |
| C5 | C6 | N1 | 117.5° | 118.9° |
| C5 | C | C1 | 117.2° | 119.7° |
| C5 | C | S | 122.2° | 120.2° |
| C1 | C | S | 120.6° | 120.1° |
| C | C1 | H1 | 119.1° | 120.0° |
| N | C6 | N1 | 122.5° | 122.2° |
| C6 | N | C7 | 126.0° | 123.7° |
| C6 | N1 | C9 | 121.5° | 118.7° |
| C6 | N1 | H6 | 119.2° | 120.7° |
| N | C7 | C8 | 107.8° | 110.7° |
| N | C7 | H11 | 109.9° | 109.4° |
| N | C7 | H12 | 109.9° | 109.0° |
| C | S | H2 | 102.0° | 103.0° |
| N1 | C9 | C8 | 110.9° | 107.4° |
| C9 | N1 | H6 | 119.2° | 120.7° |
| N1 | C9 | H7 | 109.1° | 109.9° |
| N1 | C9 | H8 | 109.1° | 109.9° |
| C7 | C8 | C9 | 111.8° | 108.4° |
| C7 | C8 | H9 | 108.9° | 109.7° |
| C7 | C8 | H10 | 108.9° | 109.6° |
| C8 | C7 | H11 | 109.9° | 109.2° |
| C8 | C7 | H12 | 109.9° | 109.2° |
| C8 | C9 | H7 | 109.1° | 109.8° |
| C8 | C9 | H8 | 109.1° | 109.9° |
| C9 | C8 | H9 | 108.9° | 109.5° |
| C9 | C8 | H10 | 108.9° | 109.8° |
| H7 | C9 | H8 | 109.5° | 109.9° |
| H9 | C8 | H10 | 109.5° | 109.8° |
| H11 | C7 | H12 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C3 | C2 | H4 | 180.0° | 179.8° |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.5° | 0.5° |
| C3 | C4 | C5 | C6 | 179.0° | 180.0° |
| C3 | C4 | C5 | C | 0.3° | 0.0° |
| C4 | C3 | C2 | H5 | 179.5° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.2° |
| C3 | C2 | C1 | H5 | 180.0° | 179.5° |
| C3 | C2 | C1 | C | 0.7° | 0.5° |
| C3 | C2 | C1 | H1 | 179.3° | 179.8° |
| C2 | C3 | C4 | H3 | 179.9° | 179.7° |
| C4 | C5 | C6 | C | 179.3° | 180.0° |
| C4 | C5 | C | C1 | 0.1° | 0.0° |
| C4 | C5 | C6 | N | 73.4° | 179.9° |
| C4 | C5 | C6 | N1 | 106.2° | 0.3° |
| C4 | C5 | C | S | 178.7° | 180.0° |
| C5 | C4 | C3 | H4 | 179.9° | 180.0° |
| C2 | C1 | C | C5 | 0.4° | 0.3° |
| C2 | C1 | C | H1 | 180.0° | 179.7° |
| C2 | C1 | C | S | 179.2° | 179.8° |
| C1 | C2 | C3 | H4 | 179.4° | 179.8° |
| C6 | C5 | C | C1 | 179.1° | 180.0° |
| C5 | C6 | N | N1 | 179.6° | 179.7° |
| C5 | C6 | N | C7 | 179.5° | 179.3° |
| C6 | C5 | C | S | 2.1° | 0.0° |
| C5 | C6 | N1 | C9 | 177.9° | 167.1° |
| C6 | C5 | C4 | H3 | 1.0° | 0.0° |
| C5 | C6 | N1 | H6 | 2.1° | 12.9° |
| C5 | C | C1 | S | 178.8° | 180.0° |
| C | C5 | C6 | N | 107.4° | 0.1° |
| C | C5 | C6 | N1 | 73.0° | 179.7° |
| C5 | C | C1 | H1 | 179.6° | 180.0° |
| C5 | C | S | H2 | 180.0° | 90.0° |
| C | C5 | C4 | H3 | 179.7° | 180.0° |
| C1 | C | S | H2 | 1.2° | 90.1° |
| C | C1 | C2 | H5 | 179.3° | 180.0° |
| N | C6 | N1 | C9 | 1.7° | 12.5° |
| C6 | N | C7 | C8 | 24.9° | 20.3° |
| N | C6 | N1 | H6 | 178.3° | 167.5° |
| C6 | N | C7 | H11 | 144.6° | 140.7° |
| C6 | N | C7 | H12 | 94.9° | 99.9° |
| N1 | C6 | N | C7 | 0.1° | 0.4° |
| C6 | N1 | C9 | H6 | 180.0° | 180.0° |
| C6 | N1 | C9 | C8 | 22.7° | 42.3° |
| C6 | N1 | C9 | H7 | 97.5° | 161.7° |
| C6 | N1 | C9 | H8 | 143.0° | 77.3° |
| N | C7 | C8 | H11 | 119.7° | 120.5° |
| N | C7 | C8 | H12 | 119.8° | 120.1° |
| N | C7 | C8 | C9 | 46.8° | 49.3° |
| N | C7 | C8 | H9 | 73.6° | 70.2° |
| N | C7 | C8 | H10 | 167.1° | 169.2° |
| N | C7 | H11 | H12 | 120.8° | 119.3° |
| S | C | C1 | H1 | 0.8° | 0.0° |
| N1 | C9 | C8 | C7 | 46.8° | 59.5° |
| N1 | C9 | C8 | H7 | 120.2° | 119.4° |
| N1 | C9 | C8 | H8 | 120.2° | 119.6° |
| N1 | C9 | H7 | H8 | 119.3° | 121.1° |
| N1 | C9 | C8 | H9 | 73.6° | 60.1° |
| N1 | C9 | C8 | H10 | 167.1° | 179.3° |
| C7 | C8 | C9 | H9 | 120.3° | 119.6° |
| C7 | C8 | C9 | H10 | 120.4° | 119.8° |
| C7 | C8 | C9 | H7 | 73.4° | 178.9° |
| C7 | C8 | C9 | H8 | 167.0° | 60.1° |
| C7 | C8 | H9 | H10 | 119.0° | 120.5° |
| C8 | C7 | H11 | H12 | 120.8° | 119.4° |
| C8 | C9 | N1 | H6 | 157.3° | 137.7° |
| C8 | C9 | H7 | H8 | 119.3° | 121.0° |
| C9 | C8 | H9 | H10 | 118.9° | 120.6° |
| C9 | C8 | C7 | H11 | 166.5° | 169.8° |
| C9 | C8 | C7 | H12 | 73.0° | 70.8° |
| H1 | C1 | C2 | H5 | 0.7° | 0.3° |
| H3 | C4 | C3 | H4 | 0.1° | 0.0° |
| H4 | C3 | C2 | H5 | 0.6° | 0.3° |
| H6 | N1 | C9 | H7 | 82.5° | 18.3° |
| H6 | N1 | C9 | H8 | 37.0° | 102.7° |
| H7 | C9 | C8 | H9 | 166.2° | 59.4° |
| H7 | C9 | C8 | H10 | 46.9° | 61.3° |
| H8 | C9 | C8 | H9 | 46.7° | 179.7° |
| H8 | C9 | C8 | H10 | 72.6° | 59.7° |
| H9 | C8 | C7 | H11 | 46.2° | 50.3° |
| H9 | C8 | C7 | H12 | 166.7° | 169.8° |
| H10 | C8 | C7 | H11 | 73.2° | 70.3° |
| H10 | C8 | C7 | H12 | 47.3° | 49.1° |
