2MH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C5 | sing | 1.47Å | 1.45Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C2 | C7 | sing | 1.53Å | 1.53Å | |
| N1 | HN11 | sing | 1.01Å | 1.00Å | |
| N1 | HN12 | sing | 1.01Å | 1.00Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C5 | C6 | 109.5° | 109.4° |
| N1 | C5 | C4 | 110.1° | 109.5° |
| C5 | N1 | HN11 | 109.5° | 111.0° |
| C5 | N1 | HN12 | 109.4° | 111.0° |
| N1 | C5 | H5 | 109.0° | 109.5° |
| C6 | C5 | C4 | 109.3° | 109.4° |
| C5 | C6 | C7 | 111.7° | 109.5° |
| C6 | C5 | H5 | 109.8° | 109.5° |
| C5 | C6 | H61 | 108.8° | 109.5° |
| C5 | C6 | H62 | 108.3° | 109.5° |
| C5 | C4 | C3 | 114.3° | 109.5° |
| C4 | C5 | H5 | 109.2° | 109.5° |
| C5 | C4 | H41 | 107.9° | 109.5° |
| C5 | C4 | H42 | 106.8° | 109.5° |
| C6 | C7 | C2 | 113.6° | 109.5° |
| C7 | C6 | H61 | 108.7° | 109.5° |
| C7 | C6 | H62 | 108.2° | 109.4° |
| C6 | C7 | H71 | 108.1° | 109.4° |
| C6 | C7 | H72 | 107.2° | 109.5° |
| C4 | C3 | C2 | 112.2° | 109.5° |
| C3 | C4 | H41 | 107.9° | 109.5° |
| C3 | C4 | H42 | 106.8° | 109.5° |
| C4 | C3 | H31 | 108.6° | 109.5° |
| C4 | C3 | H32 | 107.9° | 109.4° |
| C3 | C2 | C1 | 111.0° | 109.5° |
| C3 | C2 | C7 | 110.8° | 109.5° |
| C2 | C3 | H31 | 108.6° | 109.5° |
| C2 | C3 | H32 | 107.9° | 109.5° |
| C3 | C2 | H2 | 107.8° | 109.4° |
| C1 | C2 | C7 | 110.2° | 109.5° |
| C1 | C2 | H2 | 108.4° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C7 | C2 | H2 | 108.6° | 109.5° |
| C2 | C7 | H71 | 108.1° | 109.5° |
| C2 | C7 | H72 | 107.2° | 109.5° |
| HN11 | N1 | HN12 | 109.5° | 110.9° |
| H61 | C6 | H62 | 111.2° | 109.4° |
| H41 | C4 | H42 | 113.3° | 109.4° |
| H31 | C3 | H32 | 111.7° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H11 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.4° |
| H71 | C7 | H72 | 112.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C5 | C6 | C4 | 120.7° | 120.0° |
| N1 | C5 | C6 | H5 | 119.6° | 120.1° |
| N1 | C5 | C4 | H5 | 119.6° | 120.1° |
| N1 | C5 | C6 | C7 | 175.7° | 60.0° |
| N1 | C5 | C4 | C3 | 148.9° | 60.0° |
| C5 | N1 | HN11 | HN12 | 120.0° | 123.9° |
| N1 | C5 | C6 | H61 | 64.3° | 60.0° |
| N1 | C5 | C6 | H62 | 56.6° | 180.0° |
| N1 | C5 | C4 | H41 | 91.1° | 180.0° |
| N1 | C5 | C4 | H42 | 31.0° | 60.1° |
| C6 | C5 | C4 | H5 | 120.1° | 120.0° |
| C5 | C6 | C7 | H61 | 120.0° | 120.0° |
| C5 | C6 | C7 | H62 | 119.1° | 120.0° |
| C6 | C5 | C4 | C3 | 28.6° | 60.0° |
| C5 | C6 | C7 | C2 | 35.7° | 60.0° |
| C6 | C5 | N1 | HN11 | 83.2° | 180.0° |
| C6 | C5 | N1 | HN12 | 156.8° | 56.1° |
| C5 | C6 | H61 | H62 | 119.1° | 120.0° |
| C6 | C5 | C4 | H41 | 148.5° | 60.1° |
| C6 | C5 | C4 | H42 | 89.3° | 180.0° |
| C5 | C6 | C7 | H71 | 155.7° | 60.0° |
| C5 | C6 | C7 | H72 | 82.5° | 180.0° |
| C4 | C5 | C6 | C7 | 63.6° | 60.0° |
| C5 | C4 | C3 | H41 | 120.0° | 120.1° |
| C5 | C4 | C3 | H42 | 117.8° | 120.0° |
| C5 | C4 | C3 | C2 | 30.9° | 60.0° |
| C4 | C5 | N1 | HN11 | 37.0° | 60.1° |
| C4 | C5 | N1 | HN12 | 83.0° | 176.1° |
| C4 | C5 | C6 | H61 | 56.4° | 180.0° |
| C4 | C5 | C6 | H62 | 177.3° | 60.0° |
| C5 | C4 | H41 | H42 | 118.0° | 119.9° |
| C5 | C4 | C3 | H31 | 150.9° | 180.0° |
| C5 | C4 | C3 | H32 | 87.9° | 60.0° |
| C6 | C7 | C2 | C3 | 24.3° | 60.0° |
| C6 | C7 | C2 | C1 | 147.5° | 180.0° |
| C6 | C7 | C2 | H71 | 120.0° | 120.0° |
| C6 | C7 | C2 | H72 | 118.2° | 120.0° |
| C7 | C6 | C5 | H5 | 56.1° | 179.9° |
| C7 | C6 | H61 | H62 | 119.1° | 120.0° |
| C6 | C7 | C2 | H2 | 93.9° | 60.0° |
| C6 | C7 | H71 | H72 | 118.3° | 120.0° |
| C4 | C3 | C2 | H31 | 120.0° | 120.0° |
| C4 | C3 | C2 | H32 | 118.8° | 120.0° |
| C4 | C3 | C2 | C1 | 178.3° | 180.0° |
| C4 | C3 | C2 | C7 | 59.0° | 60.0° |
| C3 | C4 | C5 | H5 | 91.5° | 180.0° |
| C3 | C4 | H41 | H42 | 118.0° | 120.0° |
| C4 | C3 | H31 | H32 | 118.9° | 120.0° |
| C4 | C3 | C2 | H2 | 59.8° | 60.0° |
| C3 | C2 | C1 | C7 | 123.1° | 120.0° |
| C3 | C2 | C1 | H2 | 118.2° | 119.9° |
| C3 | C2 | C7 | H2 | 118.2° | 119.9° |
| C2 | C3 | C4 | H41 | 89.1° | 60.1° |
| C2 | C3 | C4 | H42 | 148.8° | 180.0° |
| C2 | C3 | H31 | H32 | 118.9° | 120.0° |
| C3 | C2 | C1 | H11 | 169.9° | 60.0° |
| C3 | C2 | C1 | H12 | 49.9° | 180.0° |
| C3 | C2 | C1 | H13 | 70.1° | 60.0° |
| C3 | C2 | C7 | H71 | 95.6° | 60.0° |
| C3 | C2 | C7 | H72 | 142.6° | 180.0° |
| C1 | C2 | C7 | H2 | 118.6° | 120.1° |
| C1 | C2 | C3 | H31 | 58.3° | 60.0° |
| C1 | C2 | C3 | H32 | 62.9° | 60.0° |
| C2 | C1 | H11 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| C1 | C2 | C7 | H71 | 27.6° | 60.0° |
| C1 | C2 | C7 | H72 | 94.3° | 60.0° |
| C2 | C7 | C6 | H61 | 84.4° | 180.0° |
| C2 | C7 | C6 | H62 | 154.7° | 60.0° |
| C7 | C2 | C3 | H31 | 179.0° | 180.0° |
| C7 | C2 | C3 | H32 | 59.8° | 60.0° |
| C7 | C2 | C1 | H11 | 67.0° | 60.0° |
| C7 | C2 | C1 | H12 | 173.0° | 60.0° |
| C7 | C2 | C1 | H13 | 53.0° | 180.0° |
| C2 | C7 | H71 | H72 | 118.3° | 120.0° |
| HN11 | N1 | C5 | H5 | 156.7° | 60.0° |
| HN12 | N1 | C5 | H5 | 36.7° | 63.9° |
| H5 | C5 | C6 | H61 | 176.1° | 60.0° |
| H5 | C5 | C6 | H62 | 63.0° | 60.0° |
| H5 | C5 | C4 | H41 | 28.5° | 59.9° |
| H5 | C5 | C4 | H42 | 150.6° | 60.0° |
| H61 | C6 | C7 | H71 | 35.6° | 60.0° |
| H61 | C6 | C7 | H72 | 157.4° | 60.0° |
| H62 | C6 | C7 | H71 | 85.3° | 180.0° |
| H62 | C6 | C7 | H72 | 36.5° | 60.0° |
| H41 | C4 | C3 | H31 | 30.9° | 59.9° |
| H41 | C4 | C3 | H32 | 152.1° | 179.9° |
| H42 | C4 | C3 | H31 | 91.2° | 60.0° |
| H42 | C4 | C3 | H32 | 30.0° | 60.0° |
| H31 | C3 | C2 | H2 | 60.2° | 60.0° |
| H32 | C3 | C2 | H2 | 178.6° | 180.0° |
| H2 | C2 | C1 | H11 | 51.8° | 179.9° |
| H2 | C2 | C1 | H12 | 68.3° | 60.0° |
| H2 | C2 | C1 | H13 | 171.8° | 59.9° |
| H2 | C2 | C7 | H71 | 146.1° | 179.9° |
| H2 | C2 | C7 | H72 | 24.3° | 60.0° |
| H11 | C1 | H12 | H13 | 120.0° | 120.0° |
