M1H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | N06 | sing | 1.32Å | 1.32Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| N06 | C07 | doub | 1.33Å | 1.36Å | Aromatic |
| C03 | N02 | sing | 1.39Å | 1.45Å | |
| C03 | C12 | doub | 1.40Å | 1.42Å | Aromatic |
| C01 | N02 | sing | 1.47Å | 1.45Å | |
| C07 | C12 | sing | 1.37Å | 1.36Å | Aromatic |
| C07 | C08 | sing | 1.51Å | 1.56Å | |
| C12 | C11 | sing | 1.50Å | 1.52Å | |
| C08 | C09 | sing | 1.53Å | 1.55Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.08Å | 1.08Å | |
| C05 | H7 | sing | 1.08Å | 1.08Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| N02 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | C05 | N06 | 121.4° | 120.7° |
| C05 | C04 | C03 | 118.3° | 118.8° |
| C05 | C04 | H6 | 120.9° | 120.6° |
| C04 | C05 | H7 | 119.3° | 119.7° |
| C05 | N06 | C07 | 121.3° | 122.5° |
| N06 | C05 | H7 | 119.3° | 119.6° |
| C04 | C03 | N02 | 121.9° | 120.7° |
| C04 | C03 | C12 | 119.1° | 118.7° |
| C03 | C04 | H6 | 120.8° | 120.6° |
| N06 | C07 | C12 | 120.9° | 120.2° |
| N06 | C07 | C08 | 117.0° | 117.5° |
| N02 | C03 | C12 | 119.0° | 120.7° |
| C03 | N02 | C01 | 120.0° | 120.0° |
| C03 | N02 | H14 | 106.8° | 120.0° |
| C03 | C12 | C07 | 118.9° | 119.1° |
| C03 | C12 | C11 | 118.8° | 117.9° |
| N02 | C01 | H3 | 109.5° | 109.5° |
| N02 | C01 | H4 | 109.5° | 109.5° |
| N02 | C01 | H5 | 109.5° | 109.4° |
| C01 | N02 | H14 | 106.8° | 120.0° |
| C12 | C07 | C08 | 122.1° | 122.3° |
| C07 | C12 | C11 | 122.3° | 122.9° |
| C07 | C08 | C09 | 113.5° | 110.6° |
| C07 | C08 | H8 | 108.5° | 109.2° |
| C07 | C08 | H9 | 108.5° | 109.2° |
| C12 | C11 | C10 | 112.6° | 110.6° |
| C12 | C11 | H12 | 108.7° | 109.3° |
| C12 | C11 | H13 | 108.7° | 109.2° |
| C08 | C09 | C10 | 112.6° | 108.4° |
| C09 | C08 | H8 | 108.5° | 109.3° |
| C09 | C08 | H9 | 108.5° | 109.3° |
| C08 | C09 | H10 | 108.7° | 109.7° |
| C08 | C09 | H11 | 108.7° | 109.7° |
| C11 | C10 | C09 | 110.8° | 108.4° |
| C11 | C10 | H1 | 109.1° | 109.7° |
| C11 | C10 | H2 | 109.1° | 109.7° |
| C10 | C11 | H12 | 108.7° | 109.3° |
| C10 | C11 | H13 | 108.6° | 109.2° |
| C09 | C10 | H1 | 109.2° | 109.7° |
| C09 | C10 | H2 | 109.1° | 109.7° |
| C10 | C09 | H10 | 108.7° | 109.6° |
| C10 | C09 | H11 | 108.7° | 109.6° |
| H1 | C10 | H2 | 109.5° | 109.7° |
| H3 | C01 | H4 | 109.4° | 109.5° |
| H3 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H8 | C08 | H9 | 109.4° | 109.2° |
| H10 | C09 | H11 | 109.5° | 109.8° |
| H12 | C11 | H13 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | C05 | N06 | H7 | 180.0° | 180.0° |
| C05 | C04 | C03 | H6 | 180.0° | 179.9° |
| C04 | C05 | N06 | C07 | 0.1° | 0.1° |
| C05 | C04 | C03 | N02 | 179.9° | 180.0° |
| C05 | C04 | C03 | C12 | 0.2° | 0.1° |
| N06 | C05 | C04 | C03 | 0.1° | 0.0° |
| C05 | N06 | C07 | C12 | 0.2° | 0.2° |
| C05 | N06 | C07 | C08 | 180.0° | 179.6° |
| N06 | C05 | C04 | H6 | 179.9° | 179.9° |
| C04 | C03 | N02 | C12 | 179.9° | 179.9° |
| C04 | C03 | N02 | C01 | 9.5° | 0.1° |
| C04 | C03 | C12 | C07 | 0.1° | 0.3° |
| C04 | C03 | C12 | C11 | 179.6° | 179.4° |
| C03 | C04 | C05 | H7 | 179.9° | 180.0° |
| C04 | C03 | N02 | H14 | 130.9° | 179.9° |
| N06 | C07 | C12 | C03 | 0.1° | 0.3° |
| N06 | C07 | C12 | C08 | 179.8° | 179.8° |
| N06 | C07 | C12 | C11 | 179.8° | 179.3° |
| N06 | C07 | C08 | C09 | 173.6° | 162.1° |
| C07 | N06 | C05 | H7 | 179.9° | 180.0° |
| N06 | C07 | C08 | H8 | 53.0° | 77.6° |
| N06 | C07 | C08 | H9 | 65.8° | 41.8° |
| C03 | N02 | C01 | H14 | 121.5° | 180.0° |
| N02 | C03 | C12 | C07 | 180.0° | 179.9° |
| N02 | C03 | C12 | C11 | 0.3° | 0.4° |
| C03 | N02 | C01 | H3 | 180.0° | 180.0° |
| C03 | N02 | C01 | H4 | 60.0° | 60.0° |
| C03 | N02 | C01 | H5 | 60.0° | 60.0° |
| N02 | C03 | C04 | H6 | 0.1° | 0.1° |
| C12 | C03 | N02 | C01 | 170.6° | 180.0° |
| C03 | C12 | C07 | C11 | 179.7° | 179.7° |
| C03 | C12 | C07 | C08 | 179.9° | 179.5° |
| C03 | C12 | C11 | C10 | 157.3° | 162.7° |
| C12 | C03 | C04 | H6 | 179.8° | 180.0° |
| C03 | C12 | C11 | H12 | 36.9° | 42.4° |
| C03 | C12 | C11 | H13 | 82.3° | 77.1° |
| C12 | C03 | N02 | H14 | 49.2° | 0.0° |
| N02 | C01 | H3 | H4 | 120.0° | 120.0° |
| N02 | C01 | H3 | H5 | 120.0° | 120.0° |
| N02 | C01 | H4 | H5 | 120.0° | 119.9° |
| C12 | C07 | C08 | C09 | 6.2° | 18.1° |
| C07 | C12 | C11 | C10 | 22.4° | 17.6° |
| C12 | C07 | C08 | H8 | 126.8° | 102.3° |
| C12 | C07 | C08 | H9 | 114.4° | 138.3° |
| C07 | C12 | C11 | H12 | 142.8° | 137.9° |
| C07 | C12 | C11 | H13 | 98.1° | 102.6° |
| C08 | C07 | C12 | C11 | 0.4° | 0.8° |
| C07 | C08 | C09 | H8 | 120.6° | 120.3° |
| C07 | C08 | C09 | H9 | 120.6° | 120.2° |
| C07 | C08 | C09 | C10 | 35.3° | 51.3° |
| C07 | C08 | H8 | H9 | 118.2° | 119.4° |
| C07 | C08 | C09 | H10 | 85.2° | 68.3° |
| C07 | C08 | C09 | H11 | 155.8° | 171.0° |
| C12 | C11 | C10 | H12 | 120.4° | 120.3° |
| C12 | C11 | C10 | H13 | 120.5° | 120.2° |
| C12 | C11 | C10 | C09 | 51.0° | 50.8° |
| C12 | C11 | C10 | H1 | 69.2° | 69.0° |
| C12 | C11 | C10 | H2 | 171.2° | 170.5° |
| C12 | C11 | H12 | H13 | 118.6° | 119.4° |
| C08 | C09 | C10 | C11 | 58.5° | 69.8° |
| C08 | C09 | C10 | H10 | 120.5° | 119.7° |
| C08 | C09 | C10 | H11 | 120.5° | 119.7° |
| C08 | C09 | C10 | H1 | 61.7° | 50.0° |
| C08 | C09 | C10 | H2 | 178.7° | 170.5° |
| C09 | C08 | H8 | H9 | 118.2° | 119.5° |
| C08 | C09 | H10 | H11 | 118.6° | 120.6° |
| C11 | C10 | C09 | H1 | 120.2° | 119.7° |
| C11 | C10 | C09 | H2 | 120.2° | 119.7° |
| C11 | C10 | H1 | H2 | 119.4° | 120.5° |
| C11 | C10 | C09 | H10 | 62.0° | 49.9° |
| C11 | C10 | C09 | H11 | 179.0° | 170.6° |
| C10 | C11 | H12 | H13 | 118.5° | 119.5° |
| C09 | C10 | H1 | H2 | 119.4° | 120.6° |
| C10 | C09 | C08 | H8 | 155.9° | 69.0° |
| C10 | C09 | C08 | H9 | 85.3° | 171.6° |
| C10 | C09 | H10 | H11 | 118.6° | 120.5° |
| C09 | C10 | C11 | H12 | 171.4° | 171.1° |
| C09 | C10 | C11 | H13 | 69.5° | 69.4° |
| H1 | C10 | C09 | H10 | 177.8° | 169.7° |
| H1 | C10 | C09 | H11 | 58.7° | 69.7° |
| H1 | C10 | C11 | H12 | 51.2° | 51.3° |
| H1 | C10 | C11 | H13 | 170.3° | 170.8° |
| H2 | C10 | C09 | H10 | 58.2° | 69.8° |
| H2 | C10 | C09 | H11 | 60.9° | 50.8° |
| H2 | C10 | C11 | H12 | 68.4° | 69.2° |
| H2 | C10 | C11 | H13 | 50.7° | 50.3° |
| H3 | C01 | H4 | H5 | 120.0° | 120.0° |
| H3 | C01 | N02 | H14 | 58.5° | 0.1° |
| H4 | C01 | N02 | H14 | 178.5° | 120.0° |
| H5 | C01 | N02 | H14 | 61.5° | 120.0° |
| H6 | C04 | C05 | H7 | 0.1° | 0.1° |
| H8 | C08 | C09 | H10 | 35.5° | 171.4° |
| H8 | C08 | C09 | H11 | 83.6° | 50.7° |
| H9 | C08 | C09 | H10 | 154.2° | 51.9° |
| H9 | C08 | C09 | H11 | 35.1° | 68.7° |
