A1H38
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.53Å | 1.64Å | |
| N01 | C05 | sing | 1.48Å | 1.45Å | |
| C06 | C05 | sing | 1.55Å | 1.50Å | |
| C05 | C04 | sing | 1.56Å | 1.35Å | |
| O04 | C04 | sing | 1.43Å | 1.42Å | |
| C04 | C03 | sing | 1.55Å | 1.36Å | |
| O03 | C03 | sing | 1.44Å | 1.48Å | |
| C03 | C02 | sing | 1.54Å | 1.47Å | |
| O02 | C02 | sing | 1.43Å | 1.40Å | |
| C01 | N01 | sing | 1.47Å | 1.61Å | |
| C06 | O03 | sing | 1.45Å | 1.56Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H072 | sing | 1.09Å | 1.10Å | |
| C06 | H071 | sing | 1.09Å | 1.10Å | |
| N01 | H1 | sing | 1.01Å | 1.00Å | |
| O02 | H101 | sing | 0.97Å | 0.95Å | |
| O04 | H081 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 113.0° | 108.8° |
| C01 | C02 | O02 | 103.7° | 109.5° |
| C02 | C01 | N01 | 109.9° | 110.5° |
| C02 | C01 | H011 | 109.4° | 109.2° |
| C02 | C01 | H012 | 109.4° | 109.3° |
| C01 | C02 | H021 | 107.2° | 109.6° |
| N01 | C05 | C06 | 106.4° | 107.1° |
| N01 | C05 | C04 | 112.2° | 106.2° |
| C05 | N01 | C01 | 115.7° | 110.5° |
| N01 | C05 | H051 | 111.3° | 114.0° |
| C05 | N01 | H1 | 107.9° | 111.0° |
| C06 | C05 | C04 | 103.1° | 101.7° |
| C05 | C06 | O03 | 101.1° | 107.5° |
| C06 | C05 | H051 | 110.5° | 113.4° |
| C05 | C06 | H072 | 111.5° | 109.9° |
| C05 | C06 | H071 | 111.5° | 109.9° |
| C05 | C04 | O04 | 107.3° | 111.5° |
| C05 | C04 | C03 | 111.4° | 99.5° |
| C05 | C04 | H041 | 108.7° | 111.4° |
| C04 | C05 | H051 | 112.9° | 113.4° |
| O04 | C04 | C03 | 113.0° | 111.4° |
| O04 | C04 | H041 | 107.7° | 111.2° |
| C04 | O04 | H081 | 109.5° | 114.0° |
| C04 | C03 | O03 | 101.3° | 105.0° |
| C04 | C03 | C02 | 113.1° | 106.2° |
| C04 | C03 | H031 | 113.2° | 112.7° |
| C03 | C04 | H041 | 108.6° | 111.4° |
| O03 | C03 | C02 | 106.2° | 107.1° |
| C03 | O03 | C06 | 105.1° | 108.4° |
| O03 | C03 | H031 | 111.1° | 112.7° |
| C03 | C02 | O02 | 113.1° | 109.7° |
| C03 | C02 | H021 | 109.3° | 109.6° |
| C02 | C03 | H031 | 111.3° | 112.6° |
| O02 | C02 | H021 | 110.3° | 109.6° |
| C02 | O02 | H101 | 109.5° | 114.0° |
| N01 | C01 | H011 | 109.4° | 109.3° |
| N01 | C01 | H012 | 109.4° | 109.3° |
| C01 | N01 | H1 | 107.9° | 111.0° |
| O03 | C06 | H072 | 111.5° | 109.7° |
| O03 | C06 | H071 | 111.5° | 109.8° |
| H011 | C01 | H012 | 109.5° | 109.2° |
| H072 | C06 | H071 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | N01 | C05 | 23.3° | 56.4° |
| C01 | C02 | C03 | C04 | 19.5° | 63.8° |
| C01 | C02 | C03 | O03 | 90.8° | 47.9° |
| C01 | C02 | C03 | O02 | 117.4° | 119.8° |
| C01 | C02 | C03 | H021 | 119.3° | 119.8° |
| C01 | C02 | O02 | H021 | 114.6° | 120.3° |
| C02 | C01 | N01 | H011 | 120.1° | 120.2° |
| C02 | C01 | N01 | H012 | 120.1° | 120.3° |
| C02 | C01 | H011 | H012 | 119.8° | 119.5° |
| C01 | C02 | C03 | H031 | 148.2° | 172.3° |
| C02 | C01 | N01 | H1 | 144.2° | 67.3° |
| C01 | C02 | O02 | H101 | 180.0° | 60.0° |
| N01 | C05 | C06 | C04 | 118.2° | 111.2° |
| N01 | C05 | C06 | H051 | 120.9° | 126.6° |
| N01 | C05 | C04 | H051 | 126.7° | 125.9° |
| N01 | C05 | C04 | O04 | 165.5° | 168.5° |
| N01 | C05 | C04 | C03 | 70.3° | 73.9° |
| C05 | N01 | C01 | H1 | 120.9° | 123.7° |
| N01 | C05 | C06 | O03 | 94.3° | 87.8° |
| C05 | N01 | C01 | H011 | 143.3° | 63.9° |
| C05 | N01 | C01 | H012 | 96.8° | 176.7° |
| N01 | C05 | C04 | H041 | 49.3° | 43.6° |
| N01 | C05 | C06 | H072 | 24.4° | 31.6° |
| N01 | C05 | C06 | H071 | 147.1° | 152.8° |
| C06 | C05 | C04 | H051 | 119.3° | 122.2° |
| C06 | C05 | C04 | O04 | 80.4° | 79.6° |
| C06 | C05 | C04 | C03 | 43.8° | 38.0° |
| C05 | C06 | O03 | C03 | 0.6° | 2.6° |
| C06 | C05 | N01 | C01 | 92.8° | 39.8° |
| C05 | C06 | O03 | H072 | 118.7° | 119.5° |
| C05 | C06 | O03 | H071 | 118.6° | 119.5° |
| C06 | C05 | C04 | H041 | 163.4° | 155.5° |
| C05 | C06 | H072 | H071 | 123.9° | 121.2° |
| C06 | C05 | N01 | H1 | 146.2° | 163.5° |
| C05 | C04 | O04 | C03 | 123.2° | 110.1° |
| C05 | C04 | O04 | H041 | 116.8° | 125.0° |
| C05 | C04 | C03 | H041 | 119.6° | 117.6° |
| C05 | C04 | C03 | O03 | 42.6° | 41.3° |
| C05 | C04 | C03 | C02 | 70.6° | 71.9° |
| C04 | C05 | N01 | C01 | 19.2° | 68.3° |
| C04 | C05 | C06 | O03 | 23.9° | 23.5° |
| C05 | C04 | C03 | H031 | 161.7° | 164.3° |
| C04 | C05 | C06 | H072 | 142.6° | 142.8° |
| C04 | C05 | C06 | H071 | 94.7° | 96.0° |
| C04 | C05 | N01 | H1 | 101.7° | 55.3° |
| C05 | C04 | O04 | H081 | 180.0° | 69.9° |
| O04 | C04 | C03 | H041 | 119.4° | 124.8° |
| O04 | C04 | C03 | O03 | 78.3° | 76.3° |
| O04 | C04 | C03 | C02 | 168.5° | 170.5° |
| O04 | C04 | C03 | H031 | 40.7° | 46.6° |
| O04 | C04 | C05 | H051 | 38.8° | 42.6° |
| C04 | C03 | O03 | C02 | 118.4° | 112.6° |
| C04 | C03 | O03 | H031 | 120.5° | 123.1° |
| C04 | C03 | C02 | H031 | 128.7° | 123.9° |
| C04 | C03 | C02 | O02 | 98.0° | 56.0° |
| C04 | C03 | O03 | C06 | 22.7° | 28.0° |
| C04 | C03 | C02 | H021 | 138.7° | 176.3° |
| C03 | C04 | C05 | H051 | 163.1° | 160.2° |
| C03 | C04 | O04 | H081 | 56.8° | 180.0° |
| O03 | C03 | C02 | H031 | 121.0° | 124.4° |
| O03 | C03 | C02 | O02 | 151.8° | 167.7° |
| O03 | C03 | C02 | H021 | 28.5° | 71.9° |
| O03 | C03 | C04 | H041 | 162.2° | 158.9° |
| C03 | O03 | C06 | H072 | 119.3° | 116.9° |
| C03 | O03 | C06 | H071 | 118.0° | 122.1° |
| C03 | C02 | O02 | H021 | 122.7° | 120.4° |
| C03 | C02 | C01 | N01 | 22.8° | 53.7° |
| C02 | C03 | O03 | C06 | 95.7° | 84.6° |
| C03 | C02 | C01 | H011 | 142.9° | 66.5° |
| C03 | C02 | C01 | H012 | 97.3° | 174.0° |
| C02 | C03 | C04 | H041 | 49.0° | 45.7° |
| C03 | C02 | O02 | H101 | 57.3° | 179.3° |
| O02 | C02 | C01 | N01 | 145.6° | 66.2° |
| O02 | C02 | C01 | H011 | 94.3° | 173.6° |
| O02 | C02 | C01 | H012 | 25.6° | 54.1° |
| O02 | C02 | C03 | H031 | 30.7° | 67.9° |
| N01 | C01 | H011 | H012 | 119.8° | 119.5° |
| N01 | C01 | C02 | H021 | 97.6° | 173.6° |
| C01 | N01 | C05 | H051 | 146.7° | 166.1° |
| C06 | O03 | C03 | H031 | 143.2° | 151.1° |
| O03 | C06 | C05 | H051 | 144.8° | 145.6° |
| O03 | C06 | H072 | H071 | 123.9° | 120.9° |
| H011 | C01 | C02 | H021 | 22.5° | 53.3° |
| H011 | C01 | N01 | H1 | 95.8° | 172.5° |
| H012 | C01 | C02 | H021 | 142.3° | 66.1° |
| H012 | C01 | N01 | H1 | 24.1° | 53.0° |
| H021 | C02 | C03 | H031 | 92.6° | 52.5° |
| H021 | C02 | O02 | H101 | 65.4° | 60.3° |
| H031 | C03 | C04 | H041 | 78.7° | 78.2° |
| H041 | C04 | C05 | H051 | 77.3° | 82.3° |
| H041 | C04 | O04 | H081 | 63.2° | 55.1° |
| H051 | C05 | C06 | H072 | 96.5° | 95.0° |
| H051 | C05 | C06 | H071 | 26.2° | 26.2° |
| H051 | C05 | N01 | H1 | 25.8° | 70.3° |
