MO8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N11 | C9 | sing | 1.38Å | 1.35Å | |
| N11 | HN11 | sing | 0.97Å | 1.00Å | |
| N11 | HN1A | sing | 0.97Å | 1.00Å | |
| N10 | C9 | doub | 1.32Å | 1.36Å | Aromatic |
| C9 | N8 | sing | 1.33Å | 1.34Å | Aromatic |
| N8 | C7 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | C7 | sing | 1.40Å | 1.47Å | Aromatic |
| C7 | C12 | sing | 1.51Å | 1.51Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C3 | C2 | doub | 1.37Å | 1.47Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| N10 | C3 | sing | 1.34Å | 1.36Å | Aromatic |
| C4 | C3 | sing | 1.50Å | 1.51Å | |
| C5 | C4 | sing | 1.52Å | 1.52Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | S6 | sing | 1.82Å | 1.75Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| S6 | C1 | sing | 1.81Å | 1.77Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | N11 | HN11 | 109.5° | 120.0° |
| C9 | N11 | HN1A | 109.5° | 120.0° |
| N11 | C9 | N10 | 119.8° | 119.4° |
| N11 | C9 | N8 | 117.4° | 119.4° |
| HN11 | N11 | HN1A | 109.4° | 120.0° |
| N10 | C9 | N8 | 122.7° | 121.2° |
| C9 | N10 | C3 | 119.9° | 122.0° |
| C9 | N8 | C7 | 123.4° | 120.0° |
| N8 | C7 | C2 | 117.2° | 120.2° |
| N8 | C7 | C12 | 120.4° | 119.9° |
| C2 | C7 | C12 | 122.4° | 119.9° |
| C7 | C2 | C3 | 117.5° | 118.5° |
| C7 | C2 | C1 | 122.6° | 115.8° |
| C7 | C12 | H12 | 109.5° | 109.5° |
| C7 | C12 | H12A | 109.4° | 109.5° |
| C7 | C12 | H12B | 109.4° | 109.5° |
| H12 | C12 | H12A | 109.5° | 109.4° |
| H12 | C12 | H12B | 109.5° | 109.5° |
| H12A | C12 | H12B | 109.5° | 109.5° |
| C3 | C2 | C1 | 119.9° | 125.7° |
| C2 | C3 | N10 | 119.2° | 118.1° |
| C2 | C3 | C4 | 121.2° | 126.8° |
| C2 | C1 | S6 | 102.1° | 110.4° |
| C2 | C1 | H1 | 112.0° | 109.3° |
| C2 | C1 | H1A | 113.5° | 109.3° |
| N10 | C3 | C4 | 119.5° | 115.1° |
| C3 | C4 | C5 | 113.9° | 113.4° |
| C3 | C4 | H4 | 108.0° | 108.7° |
| C3 | C4 | H4A | 107.0° | 108.7° |
| C5 | C4 | H4 | 108.0° | 108.7° |
| C5 | C4 | H4A | 107.0° | 108.6° |
| C4 | C5 | S6 | 110.3° | 107.8° |
| C4 | C5 | H5 | 109.2° | 109.8° |
| C4 | C5 | H5A | 109.0° | 109.8° |
| H4 | C4 | H4A | 113.0° | 108.7° |
| S6 | C5 | H5 | 109.2° | 109.8° |
| S6 | C5 | H5A | 109.0° | 109.8° |
| C5 | S6 | C1 | 112.6° | 101.3° |
| H5 | C5 | H5A | 110.1° | 109.8° |
| S6 | C1 | H1 | 112.0° | 109.1° |
| S6 | C1 | H1A | 113.5° | 109.6° |
| H1 | C1 | H1A | 104.0° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | N11 | HN11 | HN1A | 120.0° | 179.6° |
| N11 | C9 | N10 | N8 | 179.3° | 179.7° |
| N11 | C9 | N8 | C7 | 179.2° | 179.6° |
| N11 | C9 | N10 | C3 | 179.1° | 180.0° |
| HN11 | N11 | C9 | N10 | 157.4° | 179.8° |
| HN11 | N11 | C9 | N8 | 23.2° | 0.1° |
| HN1A | N11 | C9 | N10 | 37.4° | 0.6° |
| HN1A | N11 | C9 | N8 | 143.2° | 179.7° |
| N10 | C9 | N8 | C7 | 0.2° | 0.8° |
| C9 | N10 | C3 | C2 | 1.9° | 0.4° |
| C9 | N10 | C3 | C4 | 177.8° | 178.0° |
| C9 | N8 | C7 | C2 | 1.5° | 0.4° |
| C9 | N8 | C7 | C12 | 179.2° | 179.7° |
| N8 | C9 | N10 | C3 | 1.6° | 0.4° |
| N8 | C7 | C2 | C12 | 179.3° | 179.9° |
| N8 | C7 | C12 | H12 | 100.0° | 90.0° |
| N8 | C7 | C12 | H12A | 140.0° | 150.0° |
| N8 | C7 | C12 | H12B | 20.0° | 30.0° |
| N8 | C7 | C2 | C3 | 1.0° | 0.4° |
| N8 | C7 | C2 | C1 | 179.4° | 179.0° |
| C2 | C7 | C12 | H12 | 80.8° | 89.9° |
| C2 | C7 | C12 | H12A | 39.2° | 30.0° |
| C2 | C7 | C12 | H12B | 159.3° | 150.0° |
| C7 | C2 | C3 | C1 | 178.4° | 179.3° |
| C7 | C2 | C3 | N10 | 0.6° | 0.7° |
| C7 | C2 | C3 | C4 | 179.1° | 177.4° |
| C7 | C2 | C1 | S6 | 131.7° | 161.4° |
| C7 | C2 | C1 | H1 | 108.3° | 78.6° |
| C7 | C2 | C1 | H1A | 9.0° | 40.8° |
| C7 | C12 | H12 | H12A | 120.0° | 120.0° |
| C7 | C12 | H12 | H12B | 120.0° | 120.0° |
| C7 | C12 | H12A | H12B | 120.0° | 120.0° |
| C12 | C7 | C2 | C3 | 179.6° | 179.6° |
| C12 | C7 | C2 | C1 | 1.3° | 1.0° |
| H12 | C12 | H12A | H12B | 120.0° | 120.0° |
| C2 | C3 | N10 | C4 | 179.7° | 178.4° |
| C2 | C3 | C4 | C5 | 51.3° | 22.1° |
| C2 | C3 | C4 | H4 | 171.3° | 98.9° |
| C2 | C3 | C4 | H4A | 66.8° | 142.9° |
| C3 | C2 | C1 | S6 | 46.7° | 19.2° |
| C3 | C2 | C1 | H1 | 73.4° | 100.8° |
| C3 | C2 | C1 | H1A | 169.3° | 139.8° |
| C1 | C2 | C3 | N10 | 177.8° | 178.6° |
| C1 | C2 | C3 | C4 | 2.5° | 3.2° |
| C2 | C1 | S6 | C5 | 54.5° | 45.4° |
| C2 | C1 | S6 | H1 | 120.0° | 120.1° |
| C2 | C1 | S6 | H1A | 122.6° | 120.4° |
| C2 | C1 | H1 | H1A | 123.0° | 119.5° |
| N10 | C3 | C4 | C5 | 129.1° | 159.7° |
| N10 | C3 | C4 | H4 | 9.1° | 79.3° |
| N10 | C3 | C4 | H4A | 112.9° | 38.9° |
| C3 | C4 | C5 | H4 | 120.0° | 121.0° |
| C3 | C4 | C5 | H4A | 118.1° | 120.9° |
| C3 | C4 | H4 | H4A | 118.2° | 118.2° |
| C3 | C4 | C5 | S6 | 34.7° | 52.9° |
| C3 | C4 | C5 | H5 | 85.3° | 172.5° |
| C3 | C4 | C5 | H5A | 154.4° | 66.7° |
| C5 | C4 | H4 | H4A | 118.2° | 118.0° |
| C4 | C5 | S6 | H5 | 120.0° | 119.6° |
| C4 | C5 | S6 | H5A | 119.7° | 119.6° |
| C4 | C5 | H5 | H5A | 119.7° | 120.8° |
| C4 | C5 | S6 | C1 | 15.2° | 63.5° |
| H4 | C4 | C5 | S6 | 154.7° | 68.1° |
| H4 | C4 | C5 | H5 | 34.7° | 51.5° |
| H4 | C4 | C5 | H5A | 85.6° | 172.3° |
| H4A | C4 | C5 | S6 | 83.3° | 173.8° |
| H4A | C4 | C5 | H5 | 156.7° | 66.6° |
| H4A | C4 | C5 | H5A | 36.3° | 54.2° |
| S6 | C5 | H5 | H5A | 119.6° | 120.8° |
| C5 | S6 | C1 | H1 | 65.5° | 74.8° |
| C5 | S6 | C1 | H1A | 177.1° | 165.8° |
| H5 | C5 | S6 | C1 | 135.2° | 176.9° |
| H5A | C5 | S6 | C1 | 104.5° | 56.1° |
| S6 | C1 | H1 | H1A | 123.0° | 119.7° |
