MA0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | doub | 1.33Å | 1.34Å | |
| C13 | H131 | sing | 1.08Å | 1.10Å | |
| C13 | H132 | sing | 1.08Å | 1.10Å | |
| C12 | C11 | sing | 1.47Å | 1.47Å | |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C11 | N10 | doub | 1.30Å | 1.28Å | |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| N10 | C9 | sing | 1.46Å | 1.48Å | |
| N10 | C10 | sing | 1.47Å | 1.27Å | |
| C9 | C1 | sing | 1.54Å | 1.53Å | |
| C9 | C8 | sing | 1.51Å | 1.50Å | |
| C9 | H9 | sing | 1.09Å | 1.12Å | |
| C1 | C2 | sing | 1.54Å | 1.52Å | |
| C1 | H1C1 | sing | 1.09Å | 1.11Å | |
| C1 | H1C2 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.51Å | 1.50Å | |
| C2 | H2C1 | sing | 1.09Å | 1.12Å | |
| C2 | H2C2 | sing | 1.09Å | 1.11Å | |
| C3 | C8 | doub | 1.38Å | 1.33Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.35Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.33Å | Aromatic |
| C7 | C6 | doub | 1.39Å | 1.37Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | doub | 1.38Å | 1.36Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | O6 | sing | 1.36Å | 1.35Å | |
| O6 | H6 | sing | 0.97Å | 0.95Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C10 | H103 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C13 | H131 | 126.8° | 120.0° |
| C12 | C13 | H132 | 116.6° | 120.0° |
| C13 | C12 | C11 | 126.8° | 120.0° |
| C13 | C12 | H12 | 116.6° | 120.0° |
| H131 | C13 | H132 | 116.6° | 120.0° |
| C11 | C12 | H12 | 116.6° | 120.0° |
| C12 | C11 | N10 | 123.2° | 120.0° |
| C12 | C11 | H11 | 118.4° | 120.0° |
| N10 | C11 | H11 | 118.4° | 120.0° |
| C11 | N10 | C9 | 118.9° | 120.0° |
| C11 | N10 | C10 | 118.9° | 120.0° |
| C9 | N10 | C10 | 122.2° | 120.0° |
| N10 | C9 | C1 | 110.8° | 110.3° |
| N10 | C9 | C8 | 118.5° | 110.3° |
| N10 | C9 | H9 | 108.2° | 110.3° |
| N10 | C10 | H101 | 118.8° | 109.5° |
| N10 | C10 | H102 | 108.8° | 109.5° |
| N10 | C10 | H103 | 108.9° | 109.5° |
| C1 | C9 | C8 | 102.6° | 105.2° |
| C1 | C9 | H9 | 108.2° | 110.3° |
| C9 | C1 | C2 | 107.1° | 102.4° |
| C9 | C1 | H1C1 | 113.1° | 110.8° |
| C9 | C1 | H1C2 | 113.1° | 110.9° |
| C8 | C9 | H9 | 108.2° | 110.4° |
| C9 | C8 | C3 | 112.1° | 109.7° |
| C9 | C8 | C7 | 125.2° | 130.3° |
| C2 | C1 | H1C1 | 113.1° | 110.8° |
| C2 | C1 | H1C2 | 113.1° | 110.8° |
| C1 | C2 | C3 | 104.5° | 105.1° |
| C1 | C2 | H2C1 | 114.1° | 110.3° |
| C1 | C2 | H2C2 | 114.1° | 110.3° |
| H1C1 | C1 | H1C2 | 97.4° | 110.9° |
| C3 | C2 | H2C1 | 114.1° | 110.3° |
| C3 | C2 | H2C2 | 114.1° | 110.3° |
| C2 | C3 | C8 | 110.9° | 109.8° |
| C2 | C3 | C4 | 123.8° | 130.3° |
| H2C1 | C2 | H2C2 | 96.4° | 110.4° |
| C8 | C3 | C4 | 123.9° | 119.9° |
| C3 | C8 | C7 | 121.5° | 120.0° |
| C3 | C4 | C5 | 115.5° | 120.3° |
| C3 | C4 | H4 | 122.1° | 119.8° |
| C8 | C7 | C6 | 115.0° | 120.1° |
| C8 | C7 | H7 | 121.4° | 119.9° |
| C6 | C7 | H7 | 123.5° | 119.9° |
| C7 | C6 | C5 | 121.1° | 119.8° |
| C7 | C6 | O6 | 118.6° | 120.1° |
| C5 | C4 | H4 | 122.4° | 119.9° |
| C4 | C5 | C6 | 118.1° | 119.9° |
| C4 | C5 | H5 | 121.0° | 120.1° |
| C6 | C5 | H5 | 121.0° | 120.1° |
| C5 | C6 | O6 | 120.3° | 120.1° |
| C6 | O6 | H6 | 118.6° | 114.0° |
| H101 | C10 | H102 | 108.8° | 109.5° |
| H101 | C10 | H103 | 108.8° | 109.5° |
| H102 | C10 | H103 | 101.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C13 | H131 | H132 | 180.0° | 179.8° |
| C13 | C12 | C11 | H12 | 180.0° | 180.0° |
| C13 | C12 | C11 | N10 | 178.2° | 180.0° |
| C13 | C12 | C11 | H11 | 1.9° | 0.0° |
| H131 | C13 | C12 | C11 | 180.0° | 0.0° |
| H131 | C13 | C12 | H12 | 0.0° | 180.0° |
| H132 | C13 | C12 | C11 | 0.0° | 179.8° |
| H132 | C13 | C12 | H12 | 180.0° | 0.2° |
| C12 | C11 | N10 | H11 | 180.0° | 179.9° |
| C12 | C11 | N10 | C9 | 178.8° | 180.0° |
| C12 | C11 | N10 | C10 | 1.3° | 0.0° |
| H12 | C12 | C11 | N10 | 1.8° | 0.0° |
| H12 | C12 | C11 | H11 | 178.1° | 179.9° |
| C11 | N10 | C9 | C10 | 179.9° | 180.0° |
| C11 | N10 | C9 | C1 | 108.5° | 120.0° |
| C11 | N10 | C9 | C8 | 133.4° | 124.2° |
| C11 | N10 | C9 | H9 | 9.9° | 2.1° |
| C11 | N10 | C10 | H101 | 180.0° | 90.0° |
| C11 | N10 | C10 | H102 | 54.8° | 150.0° |
| C11 | N10 | C10 | H103 | 54.7° | 30.0° |
| H11 | C11 | N10 | C9 | 1.2° | 0.0° |
| H11 | C11 | N10 | C10 | 178.7° | 179.9° |
| N10 | C9 | C1 | C8 | 127.4° | 118.9° |
| N10 | C9 | C1 | H9 | 118.4° | 122.0° |
| N10 | C9 | C8 | H9 | 123.5° | 122.1° |
| N10 | C9 | C1 | C2 | 140.3° | 145.3° |
| N10 | C9 | C1 | H1C1 | 94.4° | 27.1° |
| N10 | C9 | C1 | H1C2 | 15.0° | 96.5° |
| N10 | C9 | C8 | C3 | 139.7° | 136.1° |
| N10 | C9 | C8 | C7 | 52.5° | 43.8° |
| C9 | N10 | C10 | H101 | 0.1° | 90.0° |
| C9 | N10 | C10 | H102 | 125.1° | 30.1° |
| C9 | N10 | C10 | H103 | 125.4° | 150.0° |
| C10 | N10 | C9 | C1 | 71.4° | 60.0° |
| C10 | N10 | C9 | C8 | 46.7° | 55.8° |
| C10 | N10 | C9 | H9 | 170.2° | 178.0° |
| N10 | C10 | H101 | H102 | 125.3° | 120.0° |
| N10 | C10 | H101 | H103 | 125.3° | 120.0° |
| N10 | C10 | H102 | H103 | 114.6° | 120.0° |
| C1 | C9 | C8 | H9 | 114.2° | 118.9° |
| C9 | C1 | C2 | H1C1 | 125.3° | 118.2° |
| C9 | C1 | C2 | H1C2 | 125.2° | 118.3° |
| C9 | C1 | H1C1 | H1C2 | 119.0° | 123.6° |
| C9 | C1 | C2 | C3 | 5.3° | 26.3° |
| C9 | C1 | C2 | H2C1 | 119.9° | 145.3° |
| C9 | C1 | C2 | H2C2 | 130.6° | 92.5° |
| C1 | C9 | C8 | C3 | 17.4° | 17.2° |
| C1 | C9 | C8 | C7 | 174.9° | 162.8° |
| C8 | C9 | C1 | C2 | 12.9° | 26.3° |
| C8 | C9 | C1 | H1C1 | 138.1° | 91.8° |
| C8 | C9 | C1 | H1C2 | 112.4° | 144.6° |
| C9 | C8 | C3 | C2 | 14.9° | 0.0° |
| C9 | C8 | C3 | C7 | 168.3° | 180.0° |
| C9 | C8 | C3 | C4 | 177.9° | 180.0° |
| C9 | C8 | C7 | C6 | 179.4° | 180.0° |
| C9 | C8 | C7 | H7 | 0.6° | 0.0° |
| H9 | C9 | C1 | C2 | 101.3° | 92.7° |
| H9 | C9 | C1 | H1C1 | 24.0° | 149.1° |
| H9 | C9 | C1 | H1C2 | 133.4° | 25.5° |
| H9 | C9 | C8 | C3 | 96.8° | 101.8° |
| H9 | C9 | C8 | C7 | 70.9° | 78.3° |
| C2 | C1 | H1C1 | H1C2 | 119.0° | 123.5° |
| C1 | C2 | C3 | H2C1 | 125.3° | 118.9° |
| C1 | C2 | C3 | H2C2 | 125.3° | 118.8° |
| C1 | C2 | H2C1 | H2C2 | 120.0° | 122.1° |
| C1 | C2 | C3 | C8 | 5.6° | 17.2° |
| C1 | C2 | C3 | C4 | 172.9° | 162.8° |
| H1C1 | C1 | C2 | C3 | 130.6° | 91.9° |
| H1C1 | C1 | C2 | H2C1 | 5.3° | 27.0° |
| H1C1 | C1 | C2 | H2C2 | 104.1° | 149.2° |
| H1C2 | C1 | C2 | C3 | 119.9° | 144.6° |
| H1C2 | C1 | C2 | H2C1 | 114.8° | 96.5° |
| H1C2 | C1 | C2 | H2C2 | 5.4° | 25.7° |
| C3 | C2 | H2C1 | H2C2 | 120.0° | 122.2° |
| C2 | C3 | C8 | C4 | 167.3° | 180.0° |
| C2 | C3 | C8 | C7 | 176.9° | 180.0° |
| C2 | C3 | C4 | C5 | 177.0° | 180.0° |
| C2 | C3 | C4 | H4 | 3.0° | 0.1° |
| H2C1 | C2 | C3 | C8 | 130.9° | 136.1° |
| H2C1 | C2 | C3 | C4 | 61.9° | 43.9° |
| H2C2 | C2 | C3 | C8 | 119.7° | 101.7° |
| H2C2 | C2 | C3 | C4 | 47.6° | 78.3° |
| C3 | C8 | C7 | C6 | 13.9° | 0.0° |
| C3 | C8 | C7 | H7 | 166.1° | 180.0° |
| C8 | C3 | C4 | C5 | 11.4° | 0.0° |
| C8 | C3 | C4 | H4 | 168.6° | 179.9° |
| C4 | C3 | C8 | C7 | 9.6° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 18.1° | 0.0° |
| C3 | C4 | C5 | H5 | 161.9° | 180.0° |
| C8 | C7 | C6 | H7 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 21.6° | 0.0° |
| C8 | C7 | C6 | O6 | 159.0° | 179.9° |
| C7 | C6 | C5 | C4 | 24.6° | 0.0° |
| C7 | C6 | C5 | O6 | 179.4° | 179.9° |
| C7 | C6 | C5 | H5 | 155.4° | 180.0° |
| C7 | C6 | O6 | H6 | 179.9° | 90.0° |
| H7 | C7 | C6 | C5 | 158.4° | 180.0° |
| H7 | C7 | C6 | O6 | 21.0° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | O6 | 156.0° | 179.9° |
| H4 | C4 | C5 | C6 | 161.9° | 180.0° |
| H4 | C4 | C5 | H5 | 18.1° | 0.1° |
| C5 | C6 | O6 | H6 | 0.6° | 90.0° |
| H5 | C5 | C6 | O6 | 24.0° | 0.1° |
| H101 | C10 | H102 | H103 | 114.5° | 120.0° |
