A1H3M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.23Å | |
| C | N | sing | 1.35Å | 1.33Å | |
| N | C1 | sing | 1.47Å | 1.47Å | |
| C1 | C2 | sing | 1.52Å | 1.50Å | |
| N1 | C2 | doub | 1.28Å | 1.27Å | |
| N | C3 | sing | 1.47Å | 1.47Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C2 | C5 | sing | 1.51Å | 1.50Å | |
| C3 | C6 | sing | 1.51Å | 1.52Å | |
| N2 | C6 | sing | 1.35Å | 1.32Å | |
| C6 | O1 | doub | 1.21Å | 1.23Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | N | 127.4° | 120.0° |
| O | C | H | 116.3° | 119.9° |
| C | N | C1 | 121.1° | 120.7° |
| C | N | C3 | 120.1° | 120.7° |
| N | C | H | 116.3° | 120.0° |
| N | C1 | C2 | 106.7° | 107.6° |
| C1 | N | C3 | 118.5° | 118.5° |
| N | C1 | H3 | 110.2° | 109.8° |
| N | C1 | H2 | 110.2° | 109.8° |
| C1 | C2 | N1 | 118.0° | 121.0° |
| C1 | C2 | C5 | 113.6° | 118.0° |
| C2 | C1 | H3 | 110.1° | 109.9° |
| C2 | C1 | H2 | 110.1° | 109.8° |
| N1 | C2 | C5 | 128.3° | 121.0° |
| C2 | N1 | H4 | 112.0° | 120.0° |
| N | C3 | C4 | 111.3° | 109.3° |
| N | C3 | C6 | 110.2° | 109.5° |
| N | C3 | H1 | 107.8° | 109.5° |
| C3 | C4 | C5 | 111.1° | 109.4° |
| C4 | C3 | C6 | 113.3° | 109.5° |
| C3 | C4 | H6 | 109.1° | 109.5° |
| C3 | C4 | H5 | 109.1° | 109.5° |
| C4 | C3 | H1 | 106.9° | 109.5° |
| C4 | C5 | C2 | 111.4° | 108.6° |
| C4 | C5 | H7 | 109.0° | 109.6° |
| C4 | C5 | H8 | 109.0° | 109.6° |
| C5 | C4 | H6 | 109.1° | 109.5° |
| C5 | C4 | H5 | 109.1° | 109.5° |
| C2 | C5 | H7 | 109.0° | 109.6° |
| C2 | C5 | H8 | 109.0° | 109.8° |
| C3 | C6 | N2 | 116.0° | 120.0° |
| C3 | C6 | O1 | 120.6° | 120.0° |
| C6 | C3 | H1 | 107.1° | 109.5° |
| N2 | C6 | O1 | 123.4° | 120.0° |
| C6 | N2 | H9 | 120.0° | 120.1° |
| C6 | N2 | H10 | 120.0° | 120.0° |
| H7 | C5 | H8 | 109.5° | 109.6° |
| H6 | C4 | H5 | 109.4° | 109.5° |
| H3 | C1 | H2 | 109.5° | 109.9° |
| H9 | N2 | H10 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | N | H | 180.0° | 180.0° |
| O | C | N | C1 | 165.7° | 4.7° |
| O | C | N | C3 | 20.5° | 175.3° |
| C | N | C1 | C3 | 173.9° | 180.0° |
| C | N | C1 | C2 | 131.0° | 131.5° |
| C | N | C3 | C4 | 134.5° | 122.9° |
| C | N | C3 | C6 | 98.9° | 3.0° |
| C | N | C1 | H3 | 11.5° | 11.9° |
| C | N | C1 | H2 | 109.4° | 109.0° |
| C | N | C3 | H1 | 17.6° | 117.1° |
| N | C1 | C2 | H3 | 119.6° | 119.6° |
| N | C1 | C2 | H2 | 119.6° | 119.5° |
| N | C1 | C2 | N1 | 125.9° | 133.8° |
| C1 | N | C3 | C4 | 51.6° | 57.1° |
| N | C1 | C2 | C5 | 56.6° | 46.1° |
| C1 | N | C3 | C6 | 75.0° | 177.0° |
| C1 | N | C | H | 14.3° | 175.4° |
| N | C1 | H3 | H2 | 121.4° | 120.9° |
| C1 | N | C3 | H1 | 168.4° | 62.9° |
| C1 | C2 | N1 | C5 | 177.1° | 179.9° |
| C2 | C1 | N | C3 | 55.1° | 48.5° |
| C1 | C2 | C5 | C4 | 57.6° | 52.5° |
| C1 | C2 | C5 | H7 | 62.7° | 67.2° |
| C1 | C2 | C5 | H8 | 177.8° | 172.4° |
| C1 | C2 | N1 | H4 | 177.1° | 180.0° |
| C2 | C1 | H3 | H2 | 121.3° | 120.9° |
| N1 | C2 | C5 | C4 | 125.2° | 127.4° |
| N1 | C2 | C5 | H7 | 114.5° | 112.9° |
| N1 | C2 | C5 | H8 | 4.9° | 7.5° |
| N1 | C2 | C1 | H3 | 6.3° | 14.2° |
| N1 | C2 | C1 | H2 | 114.6° | 106.7° |
| N | C3 | C4 | C6 | 124.9° | 119.9° |
| N | C3 | C4 | H1 | 117.4° | 120.0° |
| N | C3 | C4 | C5 | 46.0° | 58.4° |
| N | C3 | C6 | H1 | 117.0° | 120.1° |
| N | C3 | C6 | N2 | 173.1° | 129.9° |
| N | C3 | C6 | O1 | 6.5° | 50.1° |
| N | C3 | C4 | H6 | 166.3° | 178.3° |
| N | C3 | C4 | H5 | 74.2° | 61.6° |
| C3 | N | C | H | 159.5° | 4.6° |
| C3 | N | C1 | H3 | 174.6° | 168.1° |
| C3 | N | C1 | H2 | 64.4° | 71.0° |
| C3 | C4 | C5 | H6 | 120.3° | 120.0° |
| C3 | C4 | C5 | H5 | 120.3° | 120.0° |
| C3 | C4 | C5 | C2 | 50.1° | 56.1° |
| C4 | C3 | C6 | H1 | 117.6° | 120.1° |
| C4 | C3 | C6 | N2 | 61.5° | 110.3° |
| C4 | C3 | C6 | O1 | 119.0° | 69.7° |
| C3 | C4 | C5 | H7 | 70.2° | 63.5° |
| C3 | C4 | C5 | H8 | 170.4° | 176.1° |
| C3 | C4 | H6 | H5 | 119.2° | 120.0° |
| C4 | C5 | C2 | H7 | 120.3° | 119.7° |
| C4 | C5 | C2 | H8 | 120.3° | 119.9° |
| C5 | C4 | C3 | C6 | 78.8° | 178.3° |
| C4 | C5 | H7 | H8 | 119.1° | 120.4° |
| C5 | C4 | H6 | H5 | 119.3° | 120.0° |
| C5 | C4 | C3 | H1 | 163.4° | 61.6° |
| C2 | C5 | H7 | H8 | 119.1° | 120.5° |
| C5 | C2 | N1 | H4 | 0.0° | 0.1° |
| C2 | C5 | C4 | H6 | 170.4° | 176.1° |
| C2 | C5 | C4 | H5 | 70.2° | 63.8° |
| C5 | C2 | C1 | H3 | 176.1° | 165.7° |
| C5 | C2 | C1 | H2 | 63.0° | 73.4° |
| C3 | C6 | N2 | O1 | 179.5° | 180.0° |
| C6 | C3 | C4 | H6 | 41.4° | 61.8° |
| C6 | C3 | C4 | H5 | 160.9° | 58.3° |
| C3 | C6 | N2 | H9 | 179.5° | 180.0° |
| C3 | C6 | N2 | H10 | 0.5° | 0.0° |
| N2 | C6 | C3 | H1 | 56.1° | 9.8° |
| C6 | N2 | H9 | H10 | 180.0° | 180.0° |
| O1 | C6 | C3 | H1 | 123.4° | 170.1° |
| O1 | C6 | N2 | H9 | 0.0° | 0.0° |
| O1 | C6 | N2 | H10 | 180.0° | 180.0° |
| H7 | C5 | C4 | H6 | 50.1° | 56.4° |
| H7 | C5 | C4 | H5 | 169.6° | 176.5° |
| H8 | C5 | C4 | H6 | 69.3° | 63.9° |
| H8 | C5 | C4 | H5 | 50.1° | 56.1° |
| H6 | C4 | C3 | H1 | 76.3° | 58.4° |
| H5 | C4 | C3 | H1 | 43.2° | 178.5° |
