AMH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C6 | sing | 1.53Å | 1.52Å | |
| C1 | C8 | sing | 1.51Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.46Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.47Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.58Å | |
| C4 | C7 | sing | 1.53Å | 1.65Å | |
| C4 | H4 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C7 | N | sing | 1.47Å | 1.45Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C8 | O1 | doub | 1.21Å | 1.24Å | |
| C8 | O2 | sing | 1.34Å | 1.28Å | |
| N | HN1 | sing | 1.01Å | 1.02Å | |
| N | HN2 | sing | 1.01Å | 1.02Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 114.3° | 109.5° |
| C2 | C1 | C8 | 110.0° | 109.5° |
| C2 | C1 | H1 | 109.1° | 109.4° |
| C1 | C2 | C3 | 108.6° | 109.5° |
| C1 | C2 | H21 | 112.5° | 109.5° |
| C1 | C2 | H22 | 112.5° | 109.5° |
| C6 | C1 | C8 | 117.4° | 109.5° |
| C6 | C1 | H1 | 99.7° | 109.5° |
| C1 | C6 | C5 | 106.1° | 109.5° |
| C1 | C6 | H61 | 113.5° | 109.4° |
| C1 | C6 | H62 | 113.5° | 109.5° |
| C8 | C1 | H1 | 105.1° | 109.5° |
| C1 | C8 | O1 | 129.9° | 120.0° |
| C1 | C8 | O2 | 119.7° | 120.0° |
| C3 | C2 | H21 | 112.6° | 109.5° |
| C3 | C2 | H22 | 112.5° | 109.5° |
| C2 | C3 | C4 | 111.3° | 109.5° |
| C2 | C3 | H31 | 111.6° | 109.5° |
| C2 | C3 | H32 | 111.5° | 109.5° |
| H21 | C2 | H22 | 97.9° | 109.4° |
| C4 | C3 | H31 | 111.5° | 109.5° |
| C4 | C3 | H32 | 111.5° | 109.4° |
| C3 | C4 | C5 | 112.9° | 109.5° |
| C3 | C4 | C7 | 106.6° | 109.5° |
| C3 | C4 | H4 | 108.8° | 109.5° |
| H31 | C3 | H32 | 98.9° | 109.5° |
| C5 | C4 | C7 | 108.3° | 109.5° |
| C5 | C4 | H4 | 107.0° | 109.4° |
| C4 | C5 | C6 | 108.8° | 109.5° |
| C4 | C5 | H51 | 112.5° | 109.4° |
| C4 | C5 | H52 | 112.5° | 109.5° |
| C7 | C4 | H4 | 113.4° | 109.4° |
| C4 | C7 | N | 95.7° | 109.5° |
| C4 | C7 | H71 | 117.6° | 109.5° |
| C4 | C7 | H72 | 117.6° | 109.4° |
| C6 | C5 | H51 | 112.4° | 109.4° |
| C6 | C5 | H52 | 112.4° | 109.5° |
| C5 | C6 | H61 | 113.4° | 109.4° |
| C5 | C6 | H62 | 113.5° | 109.5° |
| H51 | C5 | H52 | 97.9° | 109.5° |
| H61 | C6 | H62 | 96.9° | 109.4° |
| N | C7 | H71 | 117.6° | 109.5° |
| N | C7 | H72 | 117.5° | 109.5° |
| C7 | N | HN1 | 95.7° | 106.7° |
| C7 | N | HN2 | 117.6° | 106.7° |
| H71 | C7 | H72 | 92.7° | 109.4° |
| O1 | C8 | O2 | 110.3° | 120.0° |
| C8 | O2 | HO2 | 119.7° | 120.0° |
| HN1 | N | HN2 | 117.6° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C8 | 131.1° | 120.0° |
| C2 | C1 | C6 | H1 | 116.2° | 120.0° |
| C2 | C1 | C8 | H1 | 117.3° | 120.0° |
| C1 | C2 | C3 | H21 | 125.2° | 120.0° |
| C1 | C2 | C3 | H22 | 125.3° | 120.0° |
| C1 | C2 | H21 | H22 | 118.4° | 120.0° |
| C1 | C2 | C3 | C4 | 57.0° | 60.0° |
| C1 | C2 | C3 | H31 | 177.8° | 180.0° |
| C1 | C2 | C3 | H32 | 68.2° | 60.0° |
| C2 | C1 | C6 | C5 | 60.2° | 60.0° |
| C2 | C1 | C6 | H61 | 174.6° | 60.0° |
| C2 | C1 | C6 | H62 | 65.2° | 180.0° |
| C2 | C1 | C8 | O1 | 61.6° | 0.0° |
| C2 | C1 | C8 | O2 | 118.0° | 180.0° |
| C6 | C1 | C8 | H1 | 109.7° | 120.0° |
| C6 | C1 | C2 | C3 | 61.2° | 60.0° |
| C6 | C1 | C2 | H21 | 64.0° | 60.0° |
| C6 | C1 | C2 | H22 | 173.5° | 180.0° |
| C1 | C6 | C5 | C4 | 54.7° | 59.9° |
| C1 | C6 | C5 | H61 | 125.3° | 120.0° |
| C1 | C6 | C5 | H62 | 125.3° | 120.1° |
| C1 | C6 | C5 | H51 | 180.0° | 60.0° |
| C1 | C6 | C5 | H52 | 70.6° | 180.0° |
| C1 | C6 | H61 | H62 | 119.4° | 120.0° |
| C6 | C1 | C8 | O1 | 71.4° | 120.0° |
| C6 | C1 | C8 | O2 | 109.0° | 60.0° |
| C8 | C1 | C2 | C3 | 164.2° | 180.0° |
| C8 | C1 | C2 | H21 | 70.6° | 60.0° |
| C8 | C1 | C2 | H22 | 38.9° | 59.9° |
| C8 | C1 | C6 | C5 | 168.8° | 180.0° |
| C8 | C1 | C6 | H61 | 43.5° | 60.0° |
| C8 | C1 | C6 | H62 | 65.9° | 60.0° |
| C1 | C8 | O1 | O2 | 179.6° | 180.0° |
| C1 | C8 | O2 | HO2 | 179.9° | 180.0° |
| H1 | C1 | C2 | C3 | 49.4° | 60.0° |
| H1 | C1 | C2 | H21 | 174.6° | 180.0° |
| H1 | C1 | C2 | H22 | 75.9° | 60.0° |
| H1 | C1 | C6 | C5 | 56.0° | 60.0° |
| H1 | C1 | C6 | H61 | 69.2° | 180.0° |
| H1 | C1 | C6 | H62 | 178.7° | 60.1° |
| H1 | C1 | C8 | O1 | 178.9° | 120.0° |
| H1 | C1 | C8 | O2 | 0.7° | 60.1° |
| C3 | C2 | H21 | H22 | 118.5° | 120.0° |
| C2 | C3 | C4 | H31 | 125.3° | 120.0° |
| C2 | C3 | C4 | H32 | 125.2° | 120.0° |
| C2 | C3 | H31 | H32 | 117.5° | 120.0° |
| C2 | C3 | C4 | C5 | 57.5° | 59.9° |
| C2 | C3 | C4 | C7 | 176.3° | 180.0° |
| C2 | C3 | C4 | H4 | 61.2° | 60.0° |
| H21 | C2 | C3 | C4 | 68.2° | 60.1° |
| H21 | C2 | C3 | H31 | 57.0° | 60.0° |
| H21 | C2 | C3 | H32 | 166.5° | 180.0° |
| H22 | C2 | C3 | C4 | 177.8° | 180.0° |
| H22 | C2 | C3 | H31 | 52.5° | 60.0° |
| H22 | C2 | C3 | H32 | 57.0° | 60.1° |
| C4 | C3 | H31 | H32 | 117.4° | 120.0° |
| C3 | C4 | C5 | C7 | 117.8° | 120.1° |
| C3 | C4 | C5 | H4 | 119.7° | 120.0° |
| C3 | C4 | C7 | H4 | 119.6° | 120.0° |
| C3 | C4 | C5 | C6 | 56.4° | 59.9° |
| C3 | C4 | C5 | H51 | 178.3° | 60.0° |
| C3 | C4 | C5 | H52 | 68.8° | 180.0° |
| C3 | C4 | C7 | N | 172.9° | 180.0° |
| C3 | C4 | C7 | H71 | 47.6° | 59.9° |
| C3 | C4 | C7 | H72 | 61.9° | 60.1° |
| H31 | C3 | C4 | C5 | 177.2° | 180.0° |
| H31 | C3 | C4 | C7 | 58.4° | 60.0° |
| H31 | C3 | C4 | H4 | 64.1° | 60.0° |
| H32 | C3 | C4 | C5 | 67.7° | 60.0° |
| H32 | C3 | C4 | C7 | 51.0° | 60.0° |
| H32 | C3 | C4 | H4 | 173.6° | 180.0° |
| C5 | C4 | C7 | H4 | 118.6° | 119.9° |
| C4 | C5 | C6 | H51 | 125.3° | 119.9° |
| C4 | C5 | C6 | H52 | 125.3° | 120.1° |
| C4 | C5 | H51 | H52 | 118.4° | 120.0° |
| C4 | C5 | C6 | H61 | 180.0° | 60.0° |
| C4 | C5 | C6 | H62 | 70.6° | 180.0° |
| C5 | C4 | C7 | N | 65.4° | 60.0° |
| C5 | C4 | C7 | H71 | 169.3° | 180.0° |
| C5 | C4 | C7 | H72 | 59.8° | 60.0° |
| C7 | C4 | C5 | C6 | 174.2° | 180.0° |
| C7 | C4 | C5 | H51 | 60.5° | 60.1° |
| C7 | C4 | C5 | H52 | 48.9° | 59.9° |
| C4 | C7 | N | H71 | 125.3° | 120.1° |
| C4 | C7 | N | H72 | 125.3° | 120.0° |
| C4 | C7 | H71 | H72 | 123.3° | 119.9° |
| C4 | C7 | N | HN1 | 180.0° | 180.0° |
| C4 | C7 | N | HN2 | 54.7° | 66.3° |
| H4 | C4 | C5 | C6 | 63.2° | 60.1° |
| H4 | C4 | C5 | H51 | 62.1° | 180.0° |
| H4 | C4 | C5 | H52 | 171.5° | 60.0° |
| H4 | C4 | C7 | N | 53.2° | 59.9° |
| H4 | C4 | C7 | H71 | 72.1° | 60.1° |
| H4 | C4 | C7 | H72 | 178.4° | 179.9° |
| C6 | C5 | H51 | H52 | 118.3° | 120.1° |
| C5 | C6 | H61 | H62 | 119.4° | 119.9° |
| H51 | C5 | C6 | H61 | 54.7° | 179.9° |
| H51 | C5 | C6 | H62 | 54.7° | 60.1° |
| H52 | C5 | C6 | H61 | 54.7° | 60.0° |
| H52 | C5 | C6 | H62 | 164.0° | 59.9° |
| N | C7 | H71 | H72 | 123.2° | 120.0° |
| C7 | N | HN1 | HN2 | 125.3° | 113.8° |
| H71 | C7 | N | HN1 | 54.7° | 60.0° |
| H71 | C7 | N | HN2 | 70.6° | 53.8° |
| H72 | C7 | N | HN1 | 54.7° | 60.0° |
| H72 | C7 | N | HN2 | 180.0° | 173.8° |
| O1 | C8 | O2 | HO2 | 0.4° | 0.0° |
