A1L7A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | trip | 1.17Å | 1.16Å | |
| C03 | C02 | sing | 1.47Å | 1.51Å | |
| N04 | C03 | sing | 1.47Å | 1.45Å | |
| C05 | N04 | sing | 1.40Å | 1.49Å | |
| C06 | C05 | doub | 1.39Å | 1.37Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
| F09 | C08 | sing | 1.35Å | 1.38Å | |
| C10 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| O12 | C11 | sing | 1.36Å | 1.46Å | |
| C13 | O12 | sing | 1.43Å | 1.44Å | |
| O14 | C13 | sing | 1.43Å | 1.40Å | |
| O16 | C15 | doub | 1.21Å | 1.27Å | |
| O17 | C15 | sing | 1.34Å | 1.26Å | |
| C15 | C13 | sing | 1.51Å | 1.56Å | |
| C18 | C13 | sing | 1.51Å | 1.50Å | |
| O19 | C18 | doub | 1.21Å | 1.20Å | |
| N04 | C18 | sing | 1.35Å | 1.40Å | |
| C05 | C11 | sing | 1.39Å | 1.37Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.05Å | 1.06Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| O14 | H141 | sing | 0.97Å | 0.95Å | |
| O17 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 178.3° | 180.0° |
| C02 | C01 | H011 | 180.0° | 180.0° |
| C02 | C03 | N04 | 119.8° | 109.4° |
| C02 | C03 | H031 | 106.8° | 109.5° |
| C02 | C03 | H032 | 106.8° | 109.5° |
| C03 | N04 | C05 | 133.6° | 120.5° |
| C03 | N04 | C18 | 105.5° | 120.6° |
| N04 | C03 | H031 | 106.8° | 109.5° |
| N04 | C03 | H032 | 106.8° | 109.5° |
| N04 | C05 | C06 | 127.0° | 120.7° |
| C05 | N04 | C18 | 120.8° | 118.9° |
| N04 | C05 | C11 | 120.4° | 119.3° |
| C05 | C06 | C07 | 129.6° | 119.9° |
| C06 | C05 | C11 | 112.6° | 120.0° |
| C05 | C06 | H061 | 115.2° | 120.0° |
| C06 | C07 | C08 | 117.1° | 120.2° |
| C07 | C06 | H061 | 115.2° | 120.1° |
| C06 | C07 | H071 | 121.5° | 119.9° |
| C07 | C08 | F09 | 119.6° | 119.9° |
| C07 | C08 | C10 | 116.1° | 120.2° |
| C08 | C07 | H071 | 121.5° | 119.9° |
| F09 | C08 | C10 | 124.3° | 119.9° |
| C08 | C10 | C11 | 123.9° | 119.9° |
| C08 | C10 | H101 | 118.0° | 120.1° |
| C10 | C11 | O12 | 123.6° | 120.6° |
| C10 | C11 | C05 | 120.7° | 119.9° |
| C11 | C10 | H101 | 118.0° | 120.1° |
| C11 | O12 | C13 | 110.8° | 116.7° |
| O12 | C11 | C05 | 115.7° | 119.5° |
| O12 | C13 | O14 | 111.1° | 109.4° |
| O12 | C13 | C15 | 110.7° | 109.4° |
| O12 | C13 | C18 | 115.5° | 109.6° |
| O14 | C13 | C15 | 112.5° | 109.5° |
| O14 | C13 | C18 | 102.0° | 109.4° |
| C13 | O14 | H141 | 109.5° | 114.1° |
| O16 | C15 | O17 | 118.1° | 120.0° |
| O16 | C15 | C13 | 123.3° | 120.0° |
| O17 | C15 | C13 | 118.6° | 120.0° |
| C15 | O17 | H1 | 109.5° | 117.0° |
| C15 | C13 | C18 | 104.8° | 109.5° |
| C13 | C18 | O19 | 124.0° | 120.1° |
| C13 | C18 | N04 | 111.2° | 119.8° |
| O19 | C18 | N04 | 124.8° | 120.1° |
| H031 | C03 | H032 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | N04 | 85.0° | 147.0° |
| C01 | C02 | C03 | H031 | 153.5° | 27.1° |
| C01 | C02 | C03 | H032 | 36.4° | 93.0° |
| C02 | C03 | N04 | H031 | 121.4° | 120.0° |
| C02 | C03 | N04 | H032 | 121.5° | 120.0° |
| C02 | C03 | N04 | C05 | 51.7° | 90.0° |
| C02 | C03 | N04 | C18 | 131.4° | 90.0° |
| C03 | C02 | C01 | H011 | 151.4° | 167.5° |
| C02 | C03 | H031 | H032 | 115.3° | 120.0° |
| C03 | N04 | C05 | C18 | 176.6° | 180.0° |
| C03 | N04 | C05 | C06 | 19.3° | 15.5° |
| C03 | N04 | C18 | C13 | 178.1° | 178.2° |
| C03 | N04 | C18 | O19 | 1.3° | 1.8° |
| C03 | N04 | C05 | C11 | 163.6° | 164.5° |
| N04 | C03 | H031 | H032 | 115.3° | 120.0° |
| N04 | C05 | C06 | C11 | 177.3° | 180.0° |
| N04 | C05 | C06 | C07 | 178.3° | 179.9° |
| N04 | C05 | C11 | C10 | 177.5° | 179.9° |
| N04 | C05 | C11 | O12 | 1.3° | 0.2° |
| C05 | N04 | C18 | C13 | 0.7° | 1.7° |
| C05 | N04 | C18 | O19 | 178.7° | 178.3° |
| C05 | N04 | C03 | H031 | 69.8° | 29.9° |
| C05 | N04 | C03 | H032 | 173.1° | 150.0° |
| N04 | C05 | C06 | H061 | 1.7° | 0.0° |
| C05 | C06 | C07 | H061 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 0.9° | 0.0° |
| C06 | C05 | C11 | C10 | 0.0° | 0.1° |
| C06 | C05 | C11 | O12 | 178.8° | 179.8° |
| C06 | C05 | N04 | C18 | 157.2° | 164.5° |
| C05 | C06 | C07 | H071 | 179.1° | 180.0° |
| C06 | C07 | C08 | H071 | 180.0° | 179.9° |
| C06 | C07 | C08 | F09 | 179.3° | 179.8° |
| C06 | C07 | C08 | C10 | 0.3° | 0.0° |
| C07 | C06 | C05 | C11 | 1.0° | 0.0° |
| C07 | C08 | F09 | C10 | 179.6° | 179.7° |
| C07 | C08 | C10 | C11 | 1.3° | 0.0° |
| C07 | C08 | C10 | H101 | 178.7° | 179.7° |
| C08 | C07 | C06 | H061 | 179.1° | 180.0° |
| F09 | C08 | C10 | C11 | 178.3° | 179.8° |
| F09 | C08 | C10 | H101 | 1.7° | 0.0° |
| F09 | C08 | C07 | H071 | 0.7° | 0.3° |
| C08 | C10 | C11 | H101 | 180.0° | 179.7° |
| C08 | C10 | C11 | O12 | 179.8° | 179.9° |
| C08 | C10 | C11 | C05 | 1.1° | 0.0° |
| C10 | C08 | C07 | H071 | 179.7° | 180.0° |
| C10 | C11 | O12 | C05 | 178.7° | 179.9° |
| C10 | C11 | O12 | C13 | 139.8° | 147.1° |
| C11 | O12 | C13 | O14 | 175.4° | 166.4° |
| C11 | O12 | C13 | C15 | 58.9° | 73.6° |
| C11 | O12 | C13 | C18 | 59.9° | 46.5° |
| O12 | C11 | C10 | H101 | 0.2° | 0.1° |
| O12 | C13 | O14 | C15 | 124.7° | 119.9° |
| O12 | C13 | O14 | C18 | 123.6° | 120.1° |
| O12 | C13 | C15 | O16 | 64.3° | 115.0° |
| O12 | C13 | C15 | O17 | 116.8° | 65.0° |
| O12 | C13 | C15 | C18 | 125.1° | 120.1° |
| O12 | C13 | C18 | O19 | 141.7° | 148.6° |
| O12 | C13 | C18 | N04 | 38.9° | 31.4° |
| C13 | O12 | C11 | C05 | 38.9° | 32.8° |
| O12 | C13 | O14 | H141 | 132.4° | 60.1° |
| O14 | C13 | C15 | O16 | 170.8° | 4.9° |
| O14 | C13 | C15 | O17 | 8.1° | 175.1° |
| O14 | C13 | C15 | C18 | 110.0° | 119.9° |
| O14 | C13 | C18 | O19 | 21.1° | 28.6° |
| O14 | C13 | C18 | N04 | 159.4° | 151.4° |
| O16 | C15 | O17 | C13 | 178.9° | 180.0° |
| O16 | C15 | C13 | C18 | 60.8° | 124.8° |
| O16 | C15 | O17 | H1 | 0.0° | 0.0° |
| O17 | C15 | C13 | C18 | 118.1° | 55.1° |
| C15 | C13 | C18 | O19 | 96.3° | 91.4° |
| C15 | C13 | C18 | N04 | 83.2° | 88.6° |
| C15 | C13 | O14 | H141 | 102.9° | 59.9° |
| C13 | C15 | O17 | H1 | 178.9° | 179.9° |
| C13 | C18 | O19 | N04 | 179.3° | 180.0° |
| C18 | C13 | O14 | H141 | 8.8° | 179.9° |
| C18 | N04 | C05 | C11 | 19.9° | 15.5° |
| C18 | N04 | C03 | H031 | 107.2° | 150.0° |
| C18 | N04 | C03 | H032 | 9.9° | 29.9° |
| C05 | C11 | C10 | H101 | 178.8° | 179.8° |
| C11 | C05 | C06 | H061 | 178.9° | 180.0° |
| H061 | C06 | C07 | H071 | 0.9° | 0.0° |
