7M6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C9 | sing | 1.40Å | 1.33Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C2 | sing | 1.39Å | 1.42Å | |
| N1 | C3 | sing | 1.46Å | 1.47Å | |
| N2 | C3 | sing | 1.48Å | 1.46Å | |
| N2 | S1 | sing | 1.67Å | 1.70Å | |
| C7 | C2 | doub | 1.40Å | 1.42Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.42Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| O2 | S1 | doub | 1.42Å | 1.47Å | |
| C1 | S1 | sing | 1.77Å | 1.77Å | |
| C1 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | CL1 | sing | 1.74Å | 1.73Å | |
| S1 | O1 | doub | 1.42Å | 1.48Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| N2 | H3 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C9 | C8 | 108.2° | 109.5° |
| F1 | C9 | H9 | 109.8° | 109.5° |
| F1 | C9 | H10 | 109.8° | 109.5° |
| C9 | C8 | N1 | 115.0° | 109.4° |
| C9 | C8 | H7 | 108.1° | 109.4° |
| C9 | C8 | H8 | 108.1° | 109.5° |
| C8 | C9 | H9 | 109.8° | 109.5° |
| C8 | C9 | H10 | 109.8° | 109.5° |
| C8 | N1 | C2 | 120.2° | 110.9° |
| C8 | N1 | C3 | 117.7° | 111.0° |
| N1 | C8 | H7 | 108.1° | 109.5° |
| N1 | C8 | H8 | 108.1° | 109.5° |
| C2 | N1 | C3 | 122.0° | 117.2° |
| N1 | C2 | C7 | 121.7° | 117.5° |
| N1 | C2 | C1 | 122.0° | 124.0° |
| N1 | C3 | N2 | 109.3° | 109.4° |
| N1 | C3 | H1 | 109.5° | 109.5° |
| N1 | C3 | H2 | 109.5° | 109.5° |
| C3 | N2 | S1 | 111.5° | 114.5° |
| N2 | C3 | H1 | 109.5° | 109.5° |
| N2 | C3 | H2 | 109.5° | 109.5° |
| C3 | N2 | H3 | 109.0° | 122.7° |
| N2 | S1 | O2 | 109.3° | 107.1° |
| N2 | S1 | C1 | 99.9° | 103.8° |
| N2 | S1 | O1 | 108.1° | 106.7° |
| S1 | N2 | H3 | 108.9° | 122.7° |
| C2 | C7 | C6 | 120.9° | 120.6° |
| C7 | C2 | C1 | 116.3° | 118.4° |
| C2 | C7 | H6 | 119.5° | 119.7° |
| C7 | C6 | C5 | 121.0° | 120.4° |
| C7 | C6 | H5 | 119.5° | 119.9° |
| C6 | C7 | H6 | 119.6° | 119.7° |
| C2 | C1 | S1 | 119.9° | 119.6° |
| C2 | C1 | C4 | 123.3° | 121.0° |
| C6 | C5 | C4 | 119.5° | 119.6° |
| C6 | C5 | CL1 | 120.5° | 120.2° |
| C5 | C6 | H5 | 119.5° | 119.8° |
| O2 | S1 | C1 | 109.0° | 106.9° |
| O2 | S1 | O1 | 120.9° | 123.7° |
| S1 | C1 | C4 | 116.8° | 119.4° |
| C1 | S1 | O1 | 107.5° | 106.9° |
| C1 | C4 | C5 | 119.0° | 120.1° |
| C1 | C4 | H4 | 120.5° | 119.9° |
| C4 | C5 | CL1 | 120.0° | 120.2° |
| C5 | C4 | H4 | 120.5° | 120.0° |
| H1 | C3 | H2 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H9 | C9 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C9 | C8 | H9 | 119.8° | 120.0° |
| F1 | C9 | C8 | H10 | 119.8° | 120.0° |
| F1 | C9 | C8 | N1 | 119.0° | 180.0° |
| F1 | C9 | C8 | H7 | 120.2° | 60.0° |
| F1 | C9 | C8 | H8 | 1.8° | 60.0° |
| F1 | C9 | H9 | H10 | 120.6° | 120.0° |
| C9 | C8 | N1 | H7 | 120.8° | 120.0° |
| C9 | C8 | N1 | H8 | 120.8° | 120.0° |
| C9 | C8 | N1 | C2 | 72.6° | 170.0° |
| C9 | C8 | N1 | C3 | 104.0° | 57.9° |
| C9 | C8 | H7 | H8 | 117.5° | 120.0° |
| C8 | C9 | H9 | H10 | 120.6° | 120.0° |
| C8 | N1 | C2 | C3 | 176.4° | 128.9° |
| C8 | N1 | C3 | N2 | 135.3° | 70.1° |
| C8 | N1 | C2 | C7 | 10.5° | 78.4° |
| C8 | N1 | C2 | C1 | 169.9° | 100.9° |
| C8 | N1 | C3 | H1 | 15.4° | 49.9° |
| C8 | N1 | C3 | H2 | 104.7° | 169.9° |
| N1 | C8 | H7 | H8 | 117.5° | 120.0° |
| N1 | C8 | C9 | H9 | 0.8° | 60.0° |
| N1 | C8 | C9 | H10 | 121.2° | 60.0° |
| C2 | N1 | C3 | N2 | 41.2° | 58.8° |
| N1 | C2 | C7 | C1 | 179.6° | 179.3° |
| N1 | C2 | C7 | C6 | 179.7° | 178.5° |
| N1 | C2 | C1 | S1 | 0.1° | 1.9° |
| N1 | C2 | C1 | C4 | 179.8° | 178.4° |
| C2 | N1 | C3 | H1 | 161.1° | 178.8° |
| C2 | N1 | C3 | H2 | 78.8° | 61.2° |
| N1 | C2 | C7 | H6 | 0.3° | 1.5° |
| C2 | N1 | C8 | H7 | 166.6° | 70.1° |
| C2 | N1 | C8 | H8 | 48.3° | 50.0° |
| N1 | C3 | N2 | H1 | 120.0° | 119.9° |
| N1 | C3 | N2 | H2 | 119.9° | 120.0° |
| N1 | C3 | N2 | S1 | 68.7° | 63.5° |
| C3 | N1 | C2 | C7 | 173.1° | 152.6° |
| C3 | N1 | C2 | C1 | 6.6° | 28.1° |
| N1 | C3 | H1 | H2 | 120.1° | 120.0° |
| N1 | C3 | N2 | H3 | 51.6° | 116.4° |
| C3 | N1 | C8 | H7 | 16.8° | 62.1° |
| C3 | N1 | C8 | H8 | 135.2° | 177.8° |
| C3 | N2 | S1 | H3 | 120.3° | 179.9° |
| C3 | N2 | S1 | O2 | 171.4° | 149.3° |
| C3 | N2 | S1 | C1 | 57.0° | 36.4° |
| C3 | N2 | S1 | O1 | 55.3° | 76.3° |
| N2 | C3 | H1 | H2 | 120.1° | 120.1° |
| N2 | S1 | C1 | C2 | 23.0° | 6.1° |
| N2 | S1 | O2 | C1 | 108.3° | 110.8° |
| N2 | S1 | O2 | O1 | 126.4° | 124.6° |
| N2 | S1 | C1 | O1 | 112.7° | 112.6° |
| N2 | S1 | C1 | C4 | 157.3° | 174.2° |
| S1 | N2 | C3 | H1 | 171.4° | 176.5° |
| S1 | N2 | C3 | H2 | 51.3° | 56.5° |
| C2 | C7 | C6 | H6 | 180.0° | 179.9° |
| C2 | C7 | C6 | C5 | 0.8° | 0.2° |
| C7 | C2 | C1 | S1 | 179.5° | 178.8° |
| C7 | C2 | C1 | C4 | 0.2° | 0.9° |
| C2 | C7 | C6 | H5 | 179.2° | 179.9° |
| C6 | C7 | C2 | C1 | 0.7° | 0.8° |
| C7 | C6 | C5 | H5 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 0.4° | 0.4° |
| C7 | C6 | C5 | CL1 | 179.8° | 179.7° |
| C2 | C1 | S1 | O2 | 137.6° | 119.1° |
| C2 | C1 | S1 | C4 | 179.7° | 179.7° |
| C2 | C1 | C4 | C5 | 0.3° | 0.4° |
| C2 | C1 | S1 | O1 | 89.7° | 106.5° |
| C2 | C1 | C4 | H4 | 179.7° | 179.6° |
| C1 | C2 | C7 | H6 | 179.3° | 179.1° |
| C6 | C5 | C4 | C1 | 0.2° | 0.3° |
| C6 | C5 | C4 | CL1 | 179.4° | 179.9° |
| C6 | C5 | C4 | H4 | 179.8° | 179.8° |
| C5 | C6 | C7 | H6 | 179.2° | 179.8° |
| O2 | S1 | C1 | O1 | 132.7° | 134.3° |
| O2 | S1 | C1 | C4 | 42.7° | 61.1° |
| O2 | S1 | N2 | H3 | 51.0° | 30.6° |
| S1 | C1 | C4 | C5 | 180.0° | 179.3° |
| C1 | S1 | N2 | H3 | 63.3° | 143.5° |
| S1 | C1 | C4 | H4 | 0.0° | 0.7° |
| C1 | C4 | C5 | H4 | 180.0° | 179.9° |
| C1 | C4 | C5 | CL1 | 179.3° | 179.8° |
| C4 | C1 | S1 | O1 | 90.0° | 73.2° |
| C4 | C5 | C6 | H5 | 179.6° | 179.6° |
| CL1 | C5 | C4 | H4 | 0.7° | 0.1° |
| CL1 | C5 | C6 | H5 | 0.2° | 0.4° |
| O1 | S1 | N2 | H3 | 175.6° | 103.7° |
| H1 | C3 | N2 | H3 | 68.3° | 3.5° |
| H2 | C3 | N2 | H3 | 171.6° | 123.6° |
| H5 | C6 | C7 | H6 | 0.8° | 0.2° |
| H7 | C8 | C9 | H9 | 120.1° | 180.0° |
| H7 | C8 | C9 | H10 | 0.4° | 60.0° |
| H8 | C8 | C9 | H9 | 121.6° | 60.0° |
| H8 | C8 | C9 | H10 | 118.0° | 180.0° |
