A1AM0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.51Å | 1.50Å | |
| C1 | C2 | sing | 1.41Å | 1.41Å | Aromatic |
| C2 | C3 | doub | 1.37Å | 1.35Å | Aromatic |
| O | C3 | sing | 1.35Å | 1.35Å | Aromatic |
| N | O | sing | 1.21Å | 1.42Å | Aromatic |
| C1 | N | doub | 1.30Å | 1.32Å | Aromatic |
| C3 | C4 | sing | 1.48Å | 1.46Å | |
| C4 | O1 | doub | 1.22Å | 1.23Å | |
| N1 | C4 | sing | 1.35Å | 1.34Å | |
| C5 | N1 | sing | 1.47Å | 1.46Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.54Å | 1.53Å | |
| C7 | C8 | sing | 1.54Å | 1.52Å | |
| C8 | O2 | sing | 1.44Å | 1.43Å | |
| O2 | C9 | sing | 1.44Å | 1.43Å | |
| C9 | C6 | sing | 1.54Å | 1.52Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 128.7° | 126.7° |
| C | C1 | N | 119.5° | 126.7° |
| C1 | C | H | 109.5° | 109.4° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H1 | 109.4° | 109.5° |
| C1 | C2 | C3 | 104.9° | 103.8° |
| C2 | C1 | N | 111.9° | 106.6° |
| C1 | C2 | H3 | 127.6° | 128.1° |
| C2 | C3 | O | 110.0° | 106.1° |
| C2 | C3 | C4 | 131.2° | 127.0° |
| C3 | C2 | H3 | 127.6° | 128.1° |
| C3 | O | N | 108.0° | 111.4° |
| O | C3 | C4 | 118.8° | 126.9° |
| O | N | C1 | 105.3° | 112.0° |
| C3 | C4 | O1 | 120.4° | 119.9° |
| C3 | C4 | N1 | 116.1° | 120.0° |
| O1 | C4 | N1 | 123.6° | 120.1° |
| C4 | N1 | C5 | 122.0° | 120.0° |
| C4 | N1 | H4 | 119.0° | 120.0° |
| N1 | C5 | C6 | 112.8° | 109.5° |
| C5 | N1 | H4 | 119.0° | 120.0° |
| N1 | C5 | H6 | 108.6° | 109.5° |
| N1 | C5 | H5 | 108.6° | 109.4° |
| C5 | C6 | C7 | 113.2° | 110.5° |
| C5 | C6 | C9 | 113.9° | 110.5° |
| C6 | C5 | H6 | 108.6° | 109.5° |
| C6 | C5 | H5 | 108.7° | 109.5° |
| C5 | C6 | H7 | 109.5° | 110.4° |
| C6 | C7 | C8 | 103.9° | 104.1° |
| C7 | C6 | C9 | 101.1° | 104.1° |
| C7 | C6 | H7 | 109.3° | 110.5° |
| C6 | C7 | H8 | 110.9° | 110.6° |
| C6 | C7 | H9 | 110.8° | 110.5° |
| C7 | C8 | O2 | 107.8° | 104.8° |
| C8 | C7 | H8 | 110.8° | 110.5° |
| C8 | C7 | H9 | 110.9° | 110.5° |
| C7 | C8 | H10 | 109.9° | 110.3° |
| C7 | C8 | H11 | 109.9° | 110.4° |
| C8 | O2 | C9 | 106.6° | 105.2° |
| O2 | C8 | H10 | 109.9° | 110.4° |
| O2 | C8 | H11 | 109.9° | 110.4° |
| O2 | C9 | C6 | 104.7° | 104.8° |
| O2 | C9 | H13 | 110.6° | 110.3° |
| O2 | C9 | H12 | 110.7° | 110.4° |
| C9 | C6 | H7 | 109.5° | 110.6° |
| C6 | C9 | H13 | 110.7° | 110.4° |
| C6 | C9 | H12 | 110.7° | 110.4° |
| H6 | C5 | H5 | 109.5° | 109.5° |
| H8 | C7 | H9 | 109.5° | 110.5° |
| H10 | C8 | H11 | 109.5° | 110.4° |
| H | C | H2 | 109.5° | 109.5° |
| H | C | H1 | 109.5° | 109.4° |
| H2 | C | H1 | 109.5° | 109.5° |
| H13 | C9 | H12 | 109.4° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | N | 179.4° | 179.9° |
| C | C1 | C2 | C3 | 179.7° | 180.0° |
| C | C1 | N | O | 179.8° | 180.0° |
| C1 | C | H | H2 | 120.0° | 120.0° |
| C1 | C | H | H1 | 120.0° | 120.0° |
| C1 | C | H2 | H1 | 120.0° | 120.0° |
| C | C1 | C2 | H3 | 0.3° | 0.1° |
| C1 | C2 | C3 | H3 | 180.0° | 179.9° |
| C1 | C2 | C3 | O | 0.3° | 0.0° |
| C2 | C1 | N | O | 0.7° | 0.0° |
| C1 | C2 | C3 | C4 | 177.4° | 180.0° |
| C2 | C1 | C | H | 179.4° | 90.0° |
| C2 | C1 | C | H2 | 60.6° | 150.0° |
| C2 | C1 | C | H1 | 59.4° | 29.9° |
| C2 | C3 | O | C4 | 178.0° | 180.0° |
| C2 | C3 | O | N | 0.7° | 0.0° |
| C3 | C2 | C1 | N | 0.3° | 0.0° |
| C2 | C3 | C4 | O1 | 8.3° | 0.0° |
| C2 | C3 | C4 | N1 | 172.1° | 180.0° |
| C3 | O | N | C1 | 0.8° | 0.0° |
| O | C3 | C4 | O1 | 174.2° | 180.0° |
| O | C3 | C4 | N1 | 5.4° | 0.0° |
| O | C3 | C2 | H3 | 179.7° | 179.9° |
| N | O | C3 | C4 | 177.3° | 180.0° |
| N | C1 | C | H | 0.0° | 90.0° |
| N | C1 | C | H2 | 120.0° | 30.0° |
| N | C1 | C | H1 | 120.0° | 150.0° |
| N | C1 | C2 | H3 | 179.7° | 179.9° |
| C3 | C4 | O1 | N1 | 179.5° | 180.0° |
| C3 | C4 | N1 | C5 | 147.3° | 179.7° |
| C3 | C4 | N1 | H4 | 32.7° | 0.0° |
| C4 | C3 | C2 | H3 | 2.6° | 0.1° |
| O1 | C4 | N1 | C5 | 32.2° | 0.2° |
| O1 | C4 | N1 | H4 | 147.8° | 180.0° |
| C4 | N1 | C5 | H4 | 180.0° | 179.7° |
| C4 | N1 | C5 | C6 | 103.3° | 180.0° |
| C4 | N1 | C5 | H6 | 17.2° | 60.0° |
| C4 | N1 | C5 | H5 | 136.2° | 60.0° |
| N1 | C5 | C6 | H6 | 120.5° | 120.0° |
| N1 | C5 | C6 | H5 | 120.5° | 120.0° |
| N1 | C5 | C6 | C7 | 128.5° | 175.0° |
| N1 | C5 | C6 | C9 | 13.7° | 70.3° |
| N1 | C5 | H6 | H5 | 118.5° | 120.0° |
| N1 | C5 | C6 | H7 | 109.3° | 52.4° |
| C5 | C6 | C7 | C9 | 122.2° | 118.7° |
| C5 | C6 | C7 | H7 | 122.3° | 122.6° |
| C5 | C6 | C7 | C8 | 147.9° | 118.6° |
| C5 | C6 | C9 | O2 | 160.9° | 142.6° |
| C5 | C6 | C9 | H7 | 123.0° | 122.6° |
| C6 | C5 | N1 | H4 | 76.7° | 0.3° |
| C6 | C5 | H6 | H5 | 118.5° | 120.0° |
| C5 | C6 | C7 | H8 | 93.0° | 122.7° |
| C5 | C6 | C7 | H9 | 28.7° | 0.0° |
| C5 | C6 | C9 | H13 | 79.8° | 23.9° |
| C5 | C6 | C9 | H12 | 41.7° | 98.4° |
| C6 | C7 | C8 | H8 | 119.1° | 118.7° |
| C6 | C7 | C8 | H9 | 119.1° | 118.6° |
| C6 | C7 | C8 | O2 | 4.3° | 24.0° |
| C7 | C6 | C9 | O2 | 39.2° | 23.9° |
| C7 | C6 | C9 | H7 | 115.3° | 118.7° |
| C7 | C6 | C5 | H6 | 111.0° | 55.0° |
| C7 | C6 | C5 | H5 | 8.0° | 65.0° |
| C6 | C7 | H8 | H9 | 122.6° | 122.7° |
| C6 | C7 | C8 | H10 | 115.5° | 142.8° |
| C6 | C7 | C8 | H11 | 124.1° | 94.8° |
| C7 | C6 | C9 | H13 | 158.4° | 94.8° |
| C7 | C6 | C9 | H12 | 80.1° | 142.9° |
| C7 | C8 | O2 | H10 | 119.7° | 118.8° |
| C7 | C8 | O2 | H11 | 119.7° | 118.9° |
| C7 | C8 | O2 | C9 | 20.8° | 40.5° |
| C8 | C7 | C6 | C9 | 25.6° | 0.0° |
| C8 | C7 | C6 | H7 | 89.8° | 118.8° |
| C8 | C7 | H8 | H9 | 122.6° | 122.6° |
| C7 | C8 | H10 | H11 | 120.7° | 122.3° |
| C8 | O2 | C9 | C6 | 38.0° | 40.5° |
| O2 | C8 | C7 | H8 | 123.4° | 94.7° |
| O2 | C8 | C7 | H9 | 114.8° | 142.6° |
| O2 | C8 | H10 | H11 | 120.8° | 122.3° |
| C8 | O2 | C9 | H13 | 157.3° | 78.4° |
| C8 | O2 | C9 | H12 | 81.2° | 159.4° |
| O2 | C9 | C6 | H13 | 119.3° | 118.8° |
| O2 | C9 | C6 | H12 | 119.3° | 118.9° |
| O2 | C9 | C6 | H7 | 76.1° | 94.8° |
| C9 | O2 | C8 | H10 | 140.6° | 159.3° |
| C9 | O2 | C8 | H11 | 98.9° | 78.4° |
| O2 | C9 | H13 | H12 | 122.2° | 122.3° |
| C9 | C6 | C5 | H6 | 134.2° | 169.7° |
| C9 | C6 | C5 | H5 | 106.8° | 49.6° |
| C9 | C6 | C7 | H8 | 144.7° | 118.7° |
| C9 | C6 | C7 | H9 | 93.5° | 118.7° |
| C6 | C9 | H13 | H12 | 122.2° | 122.3° |
| H4 | N1 | C5 | H6 | 162.8° | 120.3° |
| H4 | N1 | C5 | H5 | 43.8° | 119.7° |
| H6 | C5 | C6 | H7 | 11.2° | 67.6° |
| H5 | C5 | C6 | H7 | 130.2° | 172.3° |
| H7 | C6 | C7 | H8 | 29.3° | 0.1° |
| H7 | C6 | C7 | H9 | 151.1° | 122.6° |
| H7 | C6 | C9 | H13 | 43.2° | 146.5° |
| H7 | C6 | C9 | H12 | 164.6° | 24.2° |
| H8 | C7 | C8 | H10 | 3.6° | 24.1° |
| H8 | C7 | C8 | H11 | 116.8° | 146.5° |
| H9 | C7 | C8 | H10 | 125.4° | 98.5° |
| H9 | C7 | C8 | H11 | 5.0° | 23.8° |
| H | C | H2 | H1 | 120.0° | 120.0° |
