1O7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | S1 | sing | 1.75Å | 1.72Å | Aromatic |
| C9 | C10 | doub | 1.32Å | 1.37Å | Aromatic |
| S1 | C8 | sing | 1.76Å | 1.74Å | Aromatic |
| C10 | C11 | sing | 1.45Å | 1.45Å | Aromatic |
| C8 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | N1 | sing | 1.39Å | 1.36Å | |
| C11 | C12 | sing | 1.48Å | 1.43Å | |
| N1 | C7 | sing | 1.34Å | 1.38Å | |
| C12 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | C6 | sing | 1.41Å | 1.43Å | Aromatic |
| C7 | C6 | sing | 1.47Å | 1.46Å | |
| C7 | O2 | doub | 1.22Å | 1.23Å | |
| C13 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C3 | O1 | sing | 1.36Å | 1.37Å | |
| C3 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.37Å | 1.36Å | Aromatic |
| C2 | O1 | sing | 1.43Å | 1.44Å | |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S1 | C9 | C10 | 113.6° | 110.9° |
| C9 | S1 | C8 | 90.3° | 92.2° |
| S1 | C9 | H3 | 123.2° | 124.5° |
| C9 | C10 | C11 | 112.4° | 114.9° |
| C10 | C9 | H3 | 123.2° | 124.6° |
| C9 | C10 | H4 | 123.8° | 122.6° |
| S1 | C8 | C11 | 113.4° | 109.6° |
| S1 | C8 | N1 | 124.5° | 129.3° |
| C10 | C11 | C8 | 110.3° | 112.4° |
| C10 | C11 | C12 | 130.2° | 129.0° |
| C11 | C10 | H4 | 123.8° | 122.6° |
| C11 | C8 | N1 | 122.1° | 121.1° |
| C8 | C11 | C12 | 119.5° | 118.6° |
| C8 | N1 | C7 | 122.0° | 123.0° |
| C8 | N1 | H6 | 118.9° | 118.4° |
| C11 | C12 | C13 | 122.5° | 121.1° |
| C11 | C12 | C6 | 118.3° | 119.0° |
| N1 | C7 | C6 | 118.1° | 119.7° |
| N1 | C7 | O2 | 119.1° | 120.1° |
| C7 | N1 | H6 | 119.0° | 118.5° |
| C13 | C12 | C6 | 119.3° | 119.9° |
| C12 | C13 | C3 | 120.0° | 119.2° |
| C12 | C13 | H5 | 120.0° | 120.4° |
| C12 | C6 | C7 | 119.9° | 118.5° |
| C12 | C6 | C5 | 119.1° | 119.8° |
| C6 | C7 | O2 | 122.8° | 120.1° |
| C7 | C6 | C5 | 120.9° | 121.7° |
| C13 | C3 | O1 | 123.6° | 119.7° |
| C13 | C3 | C4 | 120.5° | 120.6° |
| C3 | C13 | H5 | 120.0° | 120.4° |
| C6 | C5 | C4 | 120.6° | 119.7° |
| C6 | C5 | H2 | 119.7° | 120.2° |
| O1 | C3 | C4 | 116.0° | 119.7° |
| C3 | O1 | C2 | 117.5° | 117.0° |
| C3 | C4 | C5 | 120.5° | 120.8° |
| C3 | C4 | H1 | 119.7° | 119.6° |
| C5 | C4 | H1 | 119.7° | 119.6° |
| C4 | C5 | H2 | 119.7° | 120.1° |
| O1 | C2 | C1 | 108.9° | 109.5° |
| O1 | C2 | H10 | 109.6° | 109.5° |
| O1 | C2 | H11 | 109.6° | 109.5° |
| C2 | C1 | H7 | 109.5° | 109.5° |
| C2 | C1 | H8 | 109.5° | 109.5° |
| C2 | C1 | H9 | 109.4° | 109.5° |
| C1 | C2 | H10 | 109.6° | 109.5° |
| C1 | C2 | H11 | 109.6° | 109.5° |
| H7 | C1 | H8 | 109.4° | 109.5° |
| H7 | C1 | H9 | 109.5° | 109.4° |
| H8 | C1 | H9 | 109.5° | 109.5° |
| H10 | C2 | H11 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S1 | C9 | C10 | H3 | 180.0° | 179.9° |
| S1 | C9 | C10 | C11 | 1.7° | 0.0° |
| C9 | S1 | C8 | C11 | 0.6° | 0.0° |
| C9 | S1 | C8 | N1 | 178.7° | 180.0° |
| S1 | C9 | C10 | H4 | 178.4° | 179.9° |
| C10 | C9 | S1 | C8 | 1.3° | 0.0° |
| C9 | C10 | C11 | H4 | 180.0° | 180.0° |
| C9 | C10 | C11 | C8 | 1.1° | 0.0° |
| C9 | C10 | C11 | C12 | 178.8° | 180.0° |
| S1 | C8 | C11 | C10 | 0.2° | 0.0° |
| S1 | C8 | C11 | N1 | 179.4° | 180.0° |
| S1 | C8 | C11 | C12 | 179.8° | 180.0° |
| S1 | C8 | N1 | C7 | 179.6° | 180.0° |
| C8 | S1 | C9 | H3 | 178.7° | 180.0° |
| S1 | C8 | N1 | H6 | 0.4° | 0.0° |
| C10 | C11 | C8 | C12 | 180.0° | 180.0° |
| C10 | C11 | C8 | N1 | 179.5° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C10 | C11 | C12 | C6 | 178.6° | 179.9° |
| C11 | C10 | C9 | H3 | 178.3° | 180.0° |
| C11 | C8 | N1 | C7 | 0.3° | 0.0° |
| C8 | C11 | C12 | C13 | 179.9° | 180.0° |
| C8 | C11 | C12 | C6 | 1.3° | 0.1° |
| C8 | C11 | C10 | H4 | 178.9° | 180.0° |
| C11 | C8 | N1 | H6 | 179.7° | 180.0° |
| N1 | C8 | C11 | C12 | 0.4° | 0.0° |
| C8 | N1 | C7 | H6 | 180.0° | 180.0° |
| C8 | N1 | C7 | C6 | 1.0° | 0.0° |
| C8 | N1 | C7 | O2 | 178.0° | 179.9° |
| C11 | C12 | C13 | C6 | 178.5° | 179.9° |
| C11 | C12 | C6 | C7 | 2.1° | 0.1° |
| C11 | C12 | C13 | C3 | 179.1° | 179.7° |
| C11 | C12 | C6 | C5 | 179.2° | 180.0° |
| C12 | C11 | C10 | H4 | 1.2° | 0.0° |
| C11 | C12 | C13 | H5 | 0.9° | 0.0° |
| N1 | C7 | C6 | C12 | 1.9° | 0.1° |
| N1 | C7 | C6 | O2 | 179.0° | 179.9° |
| N1 | C7 | C6 | C5 | 179.4° | 179.9° |
| C13 | C12 | C6 | C7 | 179.3° | 180.0° |
| C12 | C13 | C3 | H5 | 180.0° | 179.7° |
| C13 | C12 | C6 | C5 | 0.6° | 0.1° |
| C12 | C13 | C3 | O1 | 178.8° | 180.0° |
| C12 | C13 | C3 | C4 | 0.2° | 0.6° |
| C12 | C6 | C7 | C5 | 178.6° | 179.9° |
| C12 | C6 | C7 | O2 | 177.1° | 180.0° |
| C6 | C12 | C13 | C3 | 0.6° | 0.3° |
| C12 | C6 | C5 | C4 | 0.3° | 0.1° |
| C12 | C6 | C5 | H2 | 179.8° | 180.0° |
| C6 | C12 | C13 | H5 | 179.4° | 179.9° |
| C7 | C6 | C5 | C4 | 178.9° | 180.0° |
| C7 | C6 | C5 | H2 | 1.1° | 0.1° |
| C6 | C7 | N1 | H6 | 179.0° | 179.9° |
| O2 | C7 | C6 | C5 | 1.6° | 0.1° |
| O2 | C7 | N1 | H6 | 2.0° | 0.0° |
| C13 | C3 | O1 | C4 | 179.1° | 179.4° |
| C13 | C3 | C4 | C5 | 0.2° | 0.6° |
| C13 | C3 | O1 | C2 | 27.3° | 180.0° |
| C13 | C3 | C4 | H1 | 179.8° | 179.7° |
| C6 | C5 | C4 | C3 | 0.1° | 0.3° |
| C6 | C5 | C4 | H2 | 180.0° | 179.9° |
| C6 | C5 | C4 | H1 | 179.9° | 179.9° |
| O1 | C3 | C4 | C5 | 179.3° | 180.0° |
| C3 | O1 | C2 | C1 | 171.4° | 180.0° |
| O1 | C3 | C4 | H1 | 0.7° | 0.3° |
| O1 | C3 | C13 | H5 | 1.1° | 0.3° |
| C3 | O1 | C2 | H10 | 68.7° | 60.0° |
| C3 | O1 | C2 | H11 | 51.5° | 59.9° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C4 | C3 | O1 | C2 | 151.7° | 0.6° |
| C3 | C4 | C5 | H2 | 179.8° | 179.8° |
| C4 | C3 | C13 | H5 | 179.8° | 179.7° |
| O1 | C2 | C1 | H10 | 119.9° | 120.0° |
| O1 | C2 | C1 | H11 | 119.9° | 120.1° |
| O1 | C2 | C1 | H7 | 180.0° | 180.0° |
| O1 | C2 | C1 | H8 | 60.0° | 59.9° |
| O1 | C2 | C1 | H9 | 60.0° | 60.1° |
| O1 | C2 | H10 | H11 | 120.3° | 120.0° |
| C2 | C1 | H7 | H8 | 120.0° | 120.1° |
| C2 | C1 | H7 | H9 | 120.0° | 119.9° |
| C2 | C1 | H8 | H9 | 120.0° | 120.0° |
| C1 | C2 | H10 | H11 | 120.2° | 120.0° |
| H1 | C4 | C5 | H2 | 0.2° | 0.0° |
| H3 | C9 | C10 | H4 | 1.7° | 0.0° |
| H7 | C1 | H8 | H9 | 120.0° | 119.9° |
| H7 | C1 | C2 | H10 | 60.1° | 60.0° |
| H7 | C1 | C2 | H11 | 60.0° | 59.9° |
| H8 | C1 | C2 | H10 | 179.9° | 60.0° |
| H8 | C1 | C2 | H11 | 59.9° | 180.0° |
| H9 | C1 | C2 | H10 | 59.9° | 179.9° |
| H9 | C1 | C2 | H11 | 179.9° | 60.0° |
