M9L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | C12 | doub | 1.21Å | 1.33Å | |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C8 | sing | 1.39Å | 1.42Å | Aromatic |
| C11 | C5 | sing | 1.38Å | 1.36Å | Aromatic |
| O14 | C12 | sing | 1.34Å | 1.19Å | |
| C12 | C4 | sing | 1.51Å | 1.50Å | |
| O9 | C8 | sing | 1.36Å | 1.39Å | |
| C8 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.53Å | |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | N3 | sing | 1.46Å | 1.45Å | |
| C7 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| N3 | C2 | sing | 1.35Å | 1.33Å | |
| O1 | C2 | doub | 1.22Å | 1.28Å | |
| C2 | N15 | sing | 1.35Å | 1.33Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| O9 | H6 | sing | 0.97Å | 0.95Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| O14 | H8 | sing | 0.97Å | 0.95Å | |
| N15 | H9 | sing | 0.97Å | 1.00Å | |
| N15 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | C12 | O14 | 117.3° | 120.0° |
| O13 | C12 | C4 | 123.4° | 120.0° |
| C11 | C10 | C8 | 121.8° | 119.9° |
| C10 | C11 | C5 | 121.3° | 120.0° |
| C11 | C10 | H5 | 119.1° | 120.0° |
| C10 | C11 | H7 | 119.3° | 119.9° |
| C10 | C8 | O9 | 124.3° | 120.0° |
| C10 | C8 | C7 | 117.2° | 119.9° |
| C8 | C10 | H5 | 119.1° | 120.0° |
| C11 | C5 | C4 | 127.1° | 119.9° |
| C11 | C5 | C6 | 116.9° | 120.1° |
| C5 | C11 | H7 | 119.3° | 120.0° |
| O14 | C12 | C4 | 119.3° | 120.0° |
| C12 | O14 | H8 | 109.5° | 117.0° |
| C12 | C4 | C5 | 118.8° | 109.4° |
| C12 | C4 | N3 | 105.9° | 109.5° |
| C12 | C4 | H2 | 108.7° | 109.4° |
| O9 | C8 | C7 | 118.5° | 120.1° |
| C8 | O9 | H6 | 109.5° | 114.0° |
| C8 | C7 | C6 | 118.5° | 119.9° |
| C8 | C7 | H4 | 120.7° | 120.0° |
| C4 | C5 | C6 | 116.0° | 119.9° |
| C5 | C4 | N3 | 105.6° | 109.5° |
| C5 | C4 | H2 | 108.3° | 109.5° |
| C5 | C6 | C7 | 124.1° | 120.1° |
| C5 | C6 | H3 | 117.9° | 120.0° |
| C4 | N3 | C2 | 120.0° | 120.0° |
| C4 | N3 | H1 | 120.0° | 120.0° |
| N3 | C4 | H2 | 109.3° | 109.5° |
| C7 | C6 | H3 | 118.0° | 120.0° |
| C6 | C7 | H4 | 120.7° | 120.0° |
| N3 | C2 | O1 | 127.4° | 120.0° |
| N3 | C2 | N15 | 110.9° | 120.0° |
| C2 | N3 | H1 | 120.0° | 120.0° |
| O1 | C2 | N15 | 121.8° | 120.0° |
| C2 | N15 | H9 | 120.0° | 120.1° |
| C2 | N15 | H10 | 120.0° | 120.0° |
| H9 | N15 | H10 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | C12 | O14 | C4 | 179.5° | 179.9° |
| O13 | C12 | C4 | C5 | 99.0° | 120.0° |
| O13 | C12 | C4 | N3 | 142.6° | 0.0° |
| O13 | C12 | C4 | H2 | 25.3° | 120.1° |
| O13 | C12 | O14 | H8 | 0.0° | 0.1° |
| C11 | C10 | C8 | H5 | 180.0° | 179.5° |
| C10 | C11 | C5 | H7 | 180.0° | 179.5° |
| C11 | C10 | C8 | O9 | 177.1° | 179.7° |
| C11 | C10 | C8 | C7 | 2.4° | 0.2° |
| C10 | C11 | C5 | C4 | 177.4° | 179.7° |
| C10 | C11 | C5 | C6 | 2.0° | 0.5° |
| C8 | C10 | C11 | C5 | 3.6° | 0.5° |
| C10 | C8 | O9 | C7 | 179.5° | 180.0° |
| C10 | C8 | C7 | C6 | 0.2° | 0.0° |
| C10 | C8 | C7 | H4 | 179.8° | 180.0° |
| C10 | C8 | O9 | H6 | 180.0° | 90.0° |
| C8 | C10 | C11 | H7 | 176.4° | 180.0° |
| C11 | C5 | C4 | C12 | 1.2° | 79.8° |
| C11 | C5 | C4 | C6 | 179.4° | 179.8° |
| C11 | C5 | C4 | N3 | 119.7° | 40.3° |
| C11 | C5 | C6 | C7 | 0.6° | 0.2° |
| C11 | C5 | C4 | H2 | 123.3° | 160.3° |
| C11 | C5 | C6 | H3 | 179.4° | 179.8° |
| C5 | C11 | C10 | H5 | 176.4° | 180.0° |
| O14 | C12 | C4 | C5 | 81.4° | 59.9° |
| O14 | C12 | C4 | N3 | 36.9° | 179.9° |
| O14 | C12 | C4 | H2 | 154.2° | 60.0° |
| C12 | C4 | C5 | N3 | 118.5° | 120.0° |
| C12 | C4 | C5 | H2 | 124.5° | 119.9° |
| C12 | C4 | C5 | C6 | 179.4° | 100.0° |
| C12 | C4 | N3 | H2 | 116.9° | 120.0° |
| C12 | C4 | N3 | C2 | 75.7° | 85.0° |
| C12 | C4 | N3 | H1 | 104.3° | 95.2° |
| C4 | C12 | O14 | H8 | 179.5° | 180.0° |
| O9 | C8 | C7 | C6 | 179.7° | 180.0° |
| O9 | C8 | C7 | H4 | 0.2° | 0.0° |
| O9 | C8 | C10 | H5 | 2.9° | 0.2° |
| C8 | C7 | C6 | C5 | 1.7° | 0.0° |
| C8 | C7 | C6 | H4 | 180.0° | 180.0° |
| C8 | C7 | C6 | H3 | 178.3° | 179.9° |
| C7 | C8 | C10 | H5 | 177.6° | 179.7° |
| C7 | C8 | O9 | H6 | 0.5° | 89.9° |
| C5 | C4 | N3 | H2 | 116.3° | 120.0° |
| C4 | C5 | C6 | C7 | 179.9° | 180.0° |
| C5 | C4 | N3 | C2 | 157.5° | 155.0° |
| C5 | C4 | N3 | H1 | 22.5° | 24.7° |
| C4 | C5 | C6 | H3 | 0.1° | 0.0° |
| C4 | C5 | C11 | H7 | 2.6° | 0.2° |
| C6 | C5 | C4 | N3 | 60.9° | 140.0° |
| C5 | C6 | C7 | H3 | 180.0° | 180.0° |
| C6 | C5 | C4 | H2 | 56.1° | 19.9° |
| C5 | C6 | C7 | H4 | 178.3° | 180.0° |
| C6 | C5 | C11 | H7 | 178.0° | 180.0° |
| C4 | N3 | C2 | H1 | 180.0° | 179.8° |
| C4 | N3 | C2 | O1 | 0.9° | 0.3° |
| C4 | N3 | C2 | N15 | 178.7° | 179.8° |
| N3 | C2 | O1 | N15 | 179.6° | 180.0° |
| C2 | N3 | C4 | H2 | 41.2° | 35.0° |
| N3 | C2 | N15 | H9 | 179.7° | 0.0° |
| N3 | C2 | N15 | H10 | 0.4° | 180.0° |
| O1 | C2 | N3 | H1 | 179.1° | 180.0° |
| O1 | C2 | N15 | H9 | 0.0° | 180.0° |
| O1 | C2 | N15 | H10 | 180.0° | 0.1° |
| N15 | C2 | N3 | H1 | 1.3° | 0.0° |
| C2 | N15 | H9 | H10 | 180.0° | 179.9° |
| H1 | N3 | C4 | H2 | 138.8° | 144.8° |
| H3 | C6 | C7 | H4 | 1.7° | 0.0° |
| H5 | C10 | C11 | H7 | 3.6° | 0.5° |
