A1ABR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N13 | C12 | trip | 1.14Å | 1.20Å | |
| C12 | C03 | sing | 1.47Å | 1.41Å | |
| O01 | C02 | doub | 1.21Å | 1.22Å | |
| C03 | C02 | sing | 1.52Å | 1.49Å | |
| C03 | C04 | sing | 1.54Å | 1.36Å | |
| C02 | C11 | sing | 1.47Å | 1.50Å | |
| C04 | O05 | sing | 1.43Å | 1.39Å | |
| C11 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C11 | C06 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| O05 | C06 | sing | 1.35Å | 1.35Å | |
| C06 | C07 | doub | 1.39Å | 1.42Å | Aromatic |
| C09 | C08 | doub | 1.39Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C03 | H1 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N13 | C12 | C03 | 167.8° | 179.9° |
| C12 | C03 | C02 | 118.3° | 109.9° |
| C12 | C03 | C04 | 122.5° | 110.0° |
| C12 | C03 | H1 | 96.7° | 110.0° |
| O01 | C02 | C03 | 120.0° | 121.7° |
| O01 | C02 | C11 | 123.3° | 121.8° |
| C02 | C03 | C04 | 115.2° | 107.2° |
| C03 | C02 | C11 | 116.7° | 116.5° |
| C02 | C03 | H1 | 96.3° | 109.9° |
| C03 | C04 | O05 | 125.6° | 109.4° |
| C04 | C03 | H1 | 96.9° | 109.9° |
| C03 | C04 | H041 | 105.3° | 109.5° |
| C03 | C04 | H2 | 105.3° | 109.5° |
| C02 | C11 | C10 | 120.7° | 120.7° |
| C02 | C11 | C06 | 119.6° | 119.0° |
| C04 | O05 | C06 | 120.3° | 118.7° |
| O05 | C04 | H041 | 105.3° | 109.5° |
| O05 | C04 | H2 | 105.3° | 109.5° |
| C10 | C11 | C06 | 119.7° | 120.3° |
| C11 | C10 | C09 | 122.7° | 119.5° |
| C11 | C10 | H101 | 118.7° | 120.3° |
| C11 | C06 | O05 | 119.6° | 120.9° |
| C11 | C06 | C07 | 117.9° | 119.2° |
| C10 | C09 | C08 | 118.4° | 120.2° |
| C09 | C10 | H101 | 118.7° | 120.2° |
| C10 | C09 | H091 | 120.8° | 119.9° |
| O05 | C06 | C07 | 122.5° | 120.0° |
| C06 | C07 | C08 | 121.8° | 120.0° |
| C06 | C07 | H071 | 119.1° | 119.9° |
| C09 | C08 | C07 | 119.6° | 120.7° |
| C09 | C08 | H081 | 120.2° | 119.7° |
| C08 | C09 | H091 | 120.8° | 119.9° |
| C08 | C07 | H071 | 119.1° | 120.0° |
| C07 | C08 | H081 | 120.2° | 119.6° |
| H041 | C04 | H2 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N13 | C12 | C03 | C02 | 47.9° | 144.1° |
| N13 | C12 | C03 | C04 | 108.5° | 26.4° |
| N13 | C12 | C03 | H1 | 148.8° | 94.8° |
| C12 | C03 | C02 | O01 | 7.1° | 20.5° |
| C12 | C03 | C02 | C04 | 158.1° | 119.5° |
| C12 | C03 | C02 | H1 | 101.1° | 121.1° |
| C12 | C03 | C04 | H1 | 102.5° | 121.2° |
| C12 | C03 | C02 | C11 | 173.1° | 159.4° |
| C12 | C03 | C04 | O05 | 159.6° | 178.2° |
| C12 | C03 | C04 | H041 | 37.4° | 58.1° |
| C12 | C03 | C04 | H2 | 78.2° | 61.9° |
| O01 | C02 | C03 | C11 | 179.7° | 180.0° |
| O01 | C02 | C03 | C04 | 165.3° | 140.0° |
| O01 | C02 | C11 | C10 | 14.4° | 12.0° |
| O01 | C02 | C11 | C06 | 166.2° | 168.0° |
| O01 | C02 | C03 | H1 | 94.0° | 100.6° |
| C02 | C03 | C04 | H1 | 100.4° | 119.3° |
| C02 | C03 | C04 | O05 | 2.5° | 58.7° |
| C03 | C02 | C11 | C10 | 165.4° | 168.0° |
| C03 | C02 | C11 | C06 | 14.1° | 11.9° |
| C02 | C03 | C04 | H041 | 119.7° | 61.3° |
| C02 | C03 | C04 | H2 | 124.6° | 178.7° |
| C04 | C03 | C02 | C11 | 15.0° | 39.9° |
| C03 | C04 | O05 | H041 | 122.2° | 120.0° |
| C03 | C04 | O05 | H2 | 122.2° | 120.0° |
| C03 | C04 | O05 | C06 | 12.7° | 52.7° |
| C03 | C04 | H041 | H2 | 112.8° | 120.0° |
| C02 | C11 | C10 | C06 | 179.4° | 180.0° |
| C02 | C11 | C10 | C09 | 179.5° | 179.7° |
| C02 | C11 | C06 | O05 | 0.4° | 0.7° |
| C02 | C11 | C06 | C07 | 179.2° | 179.6° |
| C02 | C11 | C10 | H101 | 0.5° | 0.1° |
| C11 | C02 | C03 | H1 | 85.8° | 79.4° |
| C04 | O05 | C06 | C11 | 13.7° | 22.6° |
| C04 | O05 | C06 | C07 | 165.9° | 157.8° |
| O05 | C04 | C03 | H1 | 97.9° | 60.6° |
| O05 | C04 | H041 | H2 | 112.7° | 120.0° |
| C11 | C10 | C09 | H101 | 180.0° | 179.6° |
| C10 | C11 | C06 | O05 | 179.8° | 179.3° |
| C10 | C11 | C06 | C07 | 0.2° | 0.4° |
| C11 | C10 | C09 | C08 | 0.4° | 0.3° |
| C11 | C10 | C09 | H091 | 179.6° | 179.7° |
| C06 | C11 | C10 | C09 | 0.1° | 0.3° |
| C11 | C06 | O05 | C07 | 179.6° | 179.7° |
| C11 | C06 | C07 | C08 | 0.2° | 0.5° |
| C06 | C11 | C10 | H101 | 179.9° | 179.9° |
| C11 | C06 | C07 | H071 | 179.8° | 179.7° |
| C10 | C09 | C08 | H091 | 180.0° | 180.0° |
| C10 | C09 | C08 | C07 | 0.4° | 0.5° |
| C10 | C09 | C08 | H081 | 179.7° | 179.9° |
| O05 | C06 | C07 | C08 | 179.8° | 179.2° |
| C06 | O05 | C04 | H041 | 134.9° | 67.3° |
| C06 | O05 | C04 | H2 | 109.5° | 172.7° |
| O05 | C06 | C07 | H071 | 0.2° | 0.6° |
| C06 | C07 | C08 | C09 | 0.1° | 0.6° |
| C06 | C07 | C08 | H071 | 180.0° | 179.8° |
| C06 | C07 | C08 | H081 | 179.9° | 180.0° |
| C09 | C08 | C07 | H081 | 180.0° | 179.4° |
| C08 | C09 | C10 | H101 | 179.7° | 180.0° |
| C09 | C08 | C07 | H071 | 179.9° | 179.7° |
| C07 | C08 | C09 | H091 | 179.6° | 179.5° |
| H101 | C10 | C09 | H091 | 0.3° | 0.1° |
| H1 | C03 | C04 | H041 | 140.0° | 179.3° |
| H1 | C03 | C04 | H2 | 24.3° | 59.3° |
| H071 | C07 | C08 | H081 | 0.1° | 0.3° |
| H081 | C08 | C09 | H091 | 0.3° | 0.1° |
