AML
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | HC11 | sing | 1.09Å | 1.11Å | |
| C1 | HC12 | sing | 1.09Å | 1.11Å | |
| C1 | HC13 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | HC21 | sing | 1.09Å | 1.11Å | |
| C2 | HC22 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | HC31 | sing | 1.09Å | 1.11Å | |
| C3 | HC32 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | HC41 | sing | 1.09Å | 1.12Å | |
| C4 | HC42 | sing | 1.09Å | 1.11Å | |
| C5 | N1 | sing | 1.47Å | 1.48Å | |
| C5 | HC51 | sing | 1.09Å | 1.11Å | |
| C5 | HC52 | sing | 1.09Å | 1.12Å | |
| N1 | HN11 | sing | 1.01Å | 1.02Å | |
| N1 | HN12 | sing | 1.01Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | HC11 | 114.0° | 109.6° |
| C2 | C1 | HC12 | 110.5° | 109.4° |
| C2 | C1 | HC13 | 110.5° | 109.5° |
| C1 | C2 | C3 | 114.1° | 109.5° |
| C1 | C2 | HC21 | 110.5° | 109.5° |
| C1 | C2 | HC22 | 110.5° | 109.4° |
| HC11 | C1 | HC12 | 110.6° | 109.4° |
| HC11 | C1 | HC13 | 110.5° | 109.5° |
| HC12 | C1 | HC13 | 99.7° | 109.4° |
| C3 | C2 | HC21 | 110.5° | 109.6° |
| C3 | C2 | HC22 | 110.5° | 109.4° |
| C2 | C3 | C4 | 111.2° | 109.5° |
| C2 | C3 | HC31 | 111.6° | 109.5° |
| C2 | C3 | HC32 | 111.6° | 109.4° |
| HC21 | C2 | HC22 | 99.7° | 109.5° |
| C4 | C3 | HC31 | 111.5° | 109.5° |
| C4 | C3 | HC32 | 111.6° | 109.4° |
| C3 | C4 | C5 | 111.7° | 109.5° |
| C3 | C4 | HC41 | 111.4° | 109.6° |
| C3 | C4 | HC42 | 111.4° | 109.5° |
| HC31 | C3 | HC32 | 98.8° | 109.5° |
| C5 | C4 | HC41 | 111.4° | 109.5° |
| C5 | C4 | HC42 | 111.4° | 109.4° |
| C4 | C5 | N1 | 109.9° | 109.6° |
| C4 | C5 | HC51 | 112.1° | 109.5° |
| C4 | C5 | HC52 | 112.0° | 109.5° |
| HC41 | C4 | HC42 | 98.9° | 109.4° |
| N1 | C5 | HC51 | 112.0° | 109.4° |
| N1 | C5 | HC52 | 112.0° | 109.5° |
| C5 | N1 | HN11 | 110.0° | 106.8° |
| C5 | N1 | HN12 | 112.1° | 106.7° |
| HC51 | C5 | HC52 | 98.4° | 109.4° |
| HN11 | N1 | HN12 | 112.0° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | HC11 | HC12 | 125.3° | 119.9° |
| C2 | C1 | HC11 | HC13 | 125.2° | 120.1° |
| C2 | C1 | HC12 | HC13 | 116.3° | 120.0° |
| C1 | C2 | C3 | HC21 | 125.3° | 120.1° |
| C1 | C2 | C3 | HC22 | 125.2° | 119.9° |
| C1 | C2 | HC21 | HC22 | 116.4° | 119.9° |
| C1 | C2 | C3 | C4 | 50.8° | 180.0° |
| C1 | C2 | C3 | HC31 | 74.4° | 59.9° |
| C1 | C2 | C3 | HC32 | 176.1° | 60.1° |
| HC11 | C1 | HC12 | HC13 | 116.4° | 120.0° |
| HC11 | C1 | C2 | C3 | 179.9° | 180.0° |
| HC11 | C1 | C2 | HC21 | 54.8° | 59.9° |
| HC11 | C1 | C2 | HC22 | 54.7° | 60.1° |
| HC12 | C1 | C2 | C3 | 54.7° | 60.1° |
| HC12 | C1 | C2 | HC21 | 70.6° | 60.1° |
| HC12 | C1 | C2 | HC22 | 179.9° | 180.0° |
| HC13 | C1 | C2 | C3 | 54.7° | 59.8° |
| HC13 | C1 | C2 | HC21 | 180.0° | 180.0° |
| HC13 | C1 | C2 | HC22 | 70.5° | 60.0° |
| C3 | C2 | HC21 | HC22 | 116.4° | 120.0° |
| C2 | C3 | C4 | HC31 | 125.3° | 120.1° |
| C2 | C3 | C4 | HC32 | 125.3° | 119.9° |
| C2 | C3 | HC31 | HC32 | 117.5° | 120.0° |
| C2 | C3 | C4 | C5 | 175.0° | 180.0° |
| C2 | C3 | C4 | HC41 | 49.7° | 59.9° |
| C2 | C3 | C4 | HC42 | 59.7° | 60.1° |
| HC21 | C2 | C3 | C4 | 176.1° | 59.9° |
| HC21 | C2 | C3 | HC31 | 50.9° | 180.0° |
| HC21 | C2 | C3 | HC32 | 58.6° | 60.0° |
| HC22 | C2 | C3 | C4 | 74.4° | 60.1° |
| HC22 | C2 | C3 | HC31 | 160.3° | 60.0° |
| HC22 | C2 | C3 | HC32 | 50.8° | 180.0° |
| C4 | C3 | HC31 | HC32 | 117.4° | 119.9° |
| C3 | C4 | C5 | HC41 | 125.3° | 120.2° |
| C3 | C4 | C5 | HC42 | 125.3° | 120.0° |
| C3 | C4 | HC41 | HC42 | 117.3° | 120.0° |
| C3 | C4 | C5 | N1 | 177.5° | 179.9° |
| C3 | C4 | C5 | HC51 | 52.2° | 59.9° |
| C3 | C4 | C5 | HC52 | 57.3° | 60.0° |
| HC31 | C3 | C4 | C5 | 59.7° | 59.9° |
| HC31 | C3 | C4 | HC41 | 175.1° | 180.0° |
| HC31 | C3 | C4 | HC42 | 65.6° | 60.0° |
| HC32 | C3 | C4 | C5 | 49.7° | 60.1° |
| HC32 | C3 | C4 | HC41 | 75.5° | 60.0° |
| HC32 | C3 | C4 | HC42 | 175.0° | 180.0° |
| C5 | C4 | HC41 | HC42 | 117.3° | 119.9° |
| C4 | C5 | N1 | HC51 | 125.3° | 120.1° |
| C4 | C5 | N1 | HC52 | 125.3° | 120.0° |
| C4 | C5 | HC51 | HC52 | 118.0° | 120.0° |
| C4 | C5 | N1 | HN11 | 180.0° | 179.9° |
| C4 | C5 | N1 | HN12 | 54.7° | 66.2° |
| HC41 | C4 | C5 | N1 | 57.2° | 59.9° |
| HC41 | C4 | C5 | HC51 | 177.5° | 179.9° |
| HC41 | C4 | C5 | HC52 | 68.0° | 60.1° |
| HC42 | C4 | C5 | N1 | 52.2° | 60.0° |
| HC42 | C4 | C5 | HC51 | 73.0° | 60.1° |
| HC42 | C4 | C5 | HC52 | 177.5° | 180.0° |
| N1 | C5 | HC51 | HC52 | 117.9° | 119.9° |
| C5 | N1 | HN11 | HN12 | 125.4° | 113.7° |
| HC51 | C5 | N1 | HN11 | 54.7° | 60.0° |
| HC51 | C5 | N1 | HN12 | 70.6° | 173.8° |
| HC52 | C5 | N1 | HN11 | 54.7° | 59.9° |
| HC52 | C5 | N1 | HN12 | 180.0° | 53.8° |
