A1LW7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | C10 | sing | 1.34Å | 1.40Å | |
| O09 | C07 | doub | 1.22Å | 1.19Å | |
| O26 | N25 | sing | 1.22Å | 1.18Å | |
| C10 | C11 | sing | 1.50Å | 1.53Å | |
| C10 | C08 | doub | 1.38Å | 1.32Å | |
| O27 | N25 | doub | 1.22Å | 1.41Å | |
| N25 | C05 | sing | 1.48Å | 1.46Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C07 | C08 | sing | 1.47Å | 1.52Å | |
| C07 | C06 | sing | 1.48Å | 1.52Å | |
| C08 | C14 | sing | 1.47Å | 1.53Å | |
| C05 | C06 | doub | 1.40Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | C01 | sing | 1.39Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C04 | C03 | doub | 1.39Å | 1.40Å | Aromatic |
| C01 | C02 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.52Å | |
| C14 | O16 | doub | 1.21Å | 1.18Å | |
| C03 | C02 | sing | 1.41Å | 1.36Å | Aromatic |
| C03 | C20 | sing | 1.48Å | 1.36Å | |
| C02 | N17 | sing | 1.39Å | 1.32Å | |
| F31 | C28 | sing | 1.40Å | 1.37Å | |
| O21 | C20 | doub | 1.22Å | 1.19Å | |
| C20 | N19 | sing | 1.35Å | 1.33Å | |
| N17 | C23 | sing | 1.46Å | 1.45Å | |
| N17 | C18 | sing | 1.34Å | 1.35Å | |
| F29 | C28 | sing | 1.40Å | 1.37Å | |
| C28 | F30 | sing | 1.40Å | 1.37Å | |
| C28 | C24 | sing | 1.53Å | 1.53Å | |
| N19 | C18 | sing | 1.34Å | 1.35Å | |
| N19 | C24 | sing | 1.47Å | 1.45Å | |
| C18 | O22 | doub | 1.22Å | 1.19Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C24 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.08Å | 1.08Å | |
| C04 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| O15 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O15 | C10 | C11 | 118.7° | 118.7° |
| O15 | C10 | C08 | 119.7° | 118.8° |
| C10 | O15 | H14 | 109.5° | 117.0° |
| O09 | C07 | C08 | 121.0° | 120.0° |
| O09 | C07 | C06 | 116.1° | 120.0° |
| O26 | N25 | O27 | 118.5° | 120.0° |
| O26 | N25 | C05 | 120.2° | 120.0° |
| C11 | C10 | C08 | 121.4° | 122.5° |
| C10 | C11 | C12 | 113.1° | 111.1° |
| C10 | C11 | H7 | 108.6° | 109.2° |
| C10 | C11 | H8 | 108.5° | 109.2° |
| C10 | C08 | C07 | 118.7° | 120.0° |
| C10 | C08 | C14 | 120.2° | 120.0° |
| O27 | N25 | C05 | 121.3° | 120.0° |
| N25 | C05 | C06 | 122.9° | 119.9° |
| N25 | C05 | C04 | 118.5° | 119.8° |
| C11 | C12 | C13 | 111.7° | 109.3° |
| C12 | C11 | H7 | 108.6° | 109.1° |
| C12 | C11 | H8 | 108.6° | 109.1° |
| C11 | C12 | H9 | 108.9° | 109.5° |
| C11 | C12 | H10 | 108.9° | 109.5° |
| C08 | C07 | C06 | 122.9° | 120.0° |
| C07 | C08 | C14 | 119.2° | 120.0° |
| C07 | C06 | C05 | 125.9° | 119.9° |
| C07 | C06 | C01 | 113.7° | 119.8° |
| C08 | C14 | C13 | 118.2° | 117.7° |
| C08 | C14 | O16 | 121.9° | 121.2° |
| C06 | C05 | C04 | 118.6° | 120.3° |
| C05 | C06 | C01 | 120.3° | 120.4° |
| C05 | C04 | C03 | 120.8° | 119.7° |
| C05 | C04 | H6 | 119.6° | 120.2° |
| C06 | C01 | C02 | 120.5° | 119.6° |
| C06 | C01 | H5 | 119.7° | 120.2° |
| C12 | C13 | C14 | 105.5° | 107.5° |
| C12 | C13 | H1 | 110.5° | 109.8° |
| C12 | C13 | H2 | 110.5° | 109.8° |
| C13 | C12 | H9 | 108.9° | 109.5° |
| C13 | C12 | H10 | 108.9° | 109.5° |
| C04 | C03 | C02 | 119.5° | 120.3° |
| C04 | C03 | C20 | 121.5° | 121.5° |
| C03 | C04 | H6 | 119.6° | 120.1° |
| C01 | C02 | C03 | 120.2° | 119.8° |
| C01 | C02 | N17 | 119.2° | 121.5° |
| C02 | C01 | H5 | 119.7° | 120.2° |
| C13 | C14 | O16 | 119.9° | 121.1° |
| C14 | C13 | H1 | 110.5° | 109.8° |
| C14 | C13 | H2 | 110.5° | 109.9° |
| C02 | C03 | C20 | 119.0° | 118.1° |
| C03 | C02 | N17 | 120.6° | 118.8° |
| C03 | C20 | O21 | 120.2° | 120.9° |
| C03 | C20 | N19 | 120.1° | 118.3° |
| C02 | N17 | C23 | 121.0° | 119.7° |
| C02 | N17 | C18 | 120.3° | 120.7° |
| F31 | C28 | F29 | 108.3° | 109.5° |
| F31 | C28 | F30 | 110.3° | 109.5° |
| F31 | C28 | C24 | 109.6° | 109.5° |
| O21 | C20 | N19 | 119.7° | 120.8° |
| C20 | N19 | C18 | 120.2° | 121.3° |
| C20 | N19 | C24 | 121.1° | 119.3° |
| C23 | N17 | C18 | 118.7° | 119.6° |
| N17 | C23 | H11 | 109.5° | 109.5° |
| N17 | C23 | H12 | 109.5° | 109.5° |
| N17 | C23 | H13 | 109.5° | 109.4° |
| N17 | C18 | N19 | 119.8° | 122.8° |
| N17 | C18 | O22 | 119.0° | 118.6° |
| F29 | C28 | F30 | 108.7° | 109.4° |
| F29 | C28 | C24 | 111.5° | 109.5° |
| F30 | C28 | C24 | 108.4° | 109.5° |
| C28 | C24 | N19 | 108.9° | 109.5° |
| C28 | C24 | H3 | 109.6° | 109.5° |
| C28 | C24 | H4 | 109.6° | 109.4° |
| C18 | N19 | C24 | 118.7° | 119.4° |
| N19 | C18 | O22 | 121.2° | 118.6° |
| N19 | C24 | H3 | 109.6° | 109.5° |
| N19 | C24 | H4 | 109.6° | 109.5° |
| H1 | C13 | H2 | 109.5° | 109.9° |
| H3 | C24 | H4 | 109.5° | 109.5° |
| H7 | C11 | H8 | 109.5° | 109.1° |
| H9 | C12 | H10 | 109.5° | 109.5° |
| H11 | C23 | H12 | 109.5° | 109.5° |
| H11 | C23 | H13 | 109.4° | 109.5° |
| H12 | C23 | H13 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O15 | C10 | C11 | C08 | 174.3° | 179.7° |
| O15 | C10 | C11 | C12 | 163.1° | 158.3° |
| O15 | C10 | C08 | C07 | 12.2° | 0.2° |
| O15 | C10 | C08 | C14 | 176.7° | 179.7° |
| O15 | C10 | C11 | H7 | 76.4° | 81.4° |
| O15 | C10 | C11 | H8 | 42.5° | 37.8° |
| O09 | C07 | C08 | C10 | 17.2° | 6.9° |
| O09 | C07 | C08 | C06 | 178.5° | 179.9° |
| O09 | C07 | C08 | C14 | 178.2° | 173.1° |
| O09 | C07 | C06 | C05 | 98.6° | 103.1° |
| O09 | C07 | C06 | C01 | 78.3° | 76.9° |
| O26 | N25 | O27 | C05 | 176.8° | 180.0° |
| O26 | N25 | C05 | C06 | 3.3° | 175.9° |
| O26 | N25 | C05 | C04 | 174.4° | 4.1° |
| C10 | C11 | C12 | H7 | 120.5° | 120.4° |
| C10 | C11 | C12 | H8 | 120.5° | 120.5° |
| C11 | C10 | C08 | C07 | 173.6° | 179.5° |
| C11 | C10 | C08 | C14 | 9.1° | 0.6° |
| C10 | C11 | C12 | C13 | 48.9° | 53.4° |
| C10 | C11 | H7 | H8 | 118.3° | 119.3° |
| C10 | C11 | C12 | H9 | 169.2° | 66.5° |
| C10 | C11 | C12 | H10 | 71.5° | 173.4° |
| C11 | C10 | O15 | H14 | 179.0° | 174.5° |
| C08 | C10 | C11 | C12 | 11.2° | 22.0° |
| C10 | C08 | C07 | C14 | 164.6° | 179.9° |
| C10 | C08 | C07 | C06 | 164.3° | 173.0° |
| C10 | C08 | C14 | C13 | 8.0° | 11.8° |
| C10 | C08 | C14 | O16 | 170.8° | 168.2° |
| C08 | C10 | C11 | H7 | 109.3° | 98.3° |
| C08 | C10 | C11 | H8 | 131.7° | 142.5° |
| C08 | C10 | O15 | H14 | 4.6° | 5.2° |
| O27 | N25 | C05 | C06 | 179.9° | 4.0° |
| O27 | N25 | C05 | C04 | 2.3° | 176.0° |
| N25 | C05 | C06 | C07 | 3.8° | 0.0° |
| N25 | C05 | C06 | C04 | 177.7° | 180.0° |
| N25 | C05 | C06 | C01 | 179.5° | 180.0° |
| N25 | C05 | C04 | C03 | 179.6° | 180.0° |
| N25 | C05 | C04 | H6 | 0.4° | 0.0° |
| C11 | C12 | C13 | H9 | 120.3° | 119.9° |
| C11 | C12 | C13 | H10 | 120.3° | 120.0° |
| C11 | C12 | C13 | C14 | 62.1° | 63.2° |
| C11 | C12 | C13 | H1 | 57.2° | 56.3° |
| C11 | C12 | C13 | H2 | 178.5° | 177.2° |
| C12 | C11 | H7 | H8 | 118.4° | 119.2° |
| C11 | C12 | H9 | H10 | 119.0° | 120.1° |
| C08 | C07 | C06 | C05 | 82.8° | 76.8° |
| C08 | C07 | C06 | C01 | 100.3° | 103.3° |
| C07 | C08 | C14 | C13 | 156.4° | 168.2° |
| C07 | C08 | C14 | O16 | 24.8° | 11.7° |
| C06 | C07 | C08 | C14 | 0.4° | 7.1° |
| C07 | C06 | C05 | C01 | 176.7° | 180.0° |
| C07 | C06 | C05 | C04 | 178.5° | 180.0° |
| C07 | C06 | C01 | C02 | 178.2° | 180.0° |
| C07 | C06 | C01 | H5 | 1.8° | 0.0° |
| C08 | C14 | C13 | C12 | 42.5° | 42.7° |
| C08 | C14 | C13 | O16 | 178.8° | 180.0° |
| C08 | C14 | C13 | H1 | 76.8° | 76.8° |
| C08 | C14 | C13 | H2 | 161.9° | 162.2° |
| C06 | C05 | C04 | C03 | 1.7° | 0.0° |
| C05 | C06 | C01 | C02 | 1.1° | 0.0° |
| C05 | C06 | C01 | H5 | 178.9° | 180.0° |
| C06 | C05 | C04 | H6 | 178.3° | 180.0° |
| C04 | C05 | C06 | C01 | 1.8° | 0.0° |
| C05 | C04 | C03 | H6 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 1.1° | 0.1° |
| C05 | C04 | C03 | C20 | 179.5° | 180.0° |
| C06 | C01 | C02 | H5 | 180.0° | 180.0° |
| C06 | C01 | C02 | C03 | 0.4° | 0.0° |
| C06 | C01 | C02 | N17 | 179.9° | 180.0° |
| C12 | C13 | C14 | H1 | 119.4° | 119.5° |
| C12 | C13 | C14 | H2 | 119.4° | 119.5° |
| C12 | C13 | C14 | O16 | 136.3° | 137.3° |
| C12 | C13 | H1 | H2 | 121.9° | 120.9° |
| C13 | C12 | C11 | H7 | 71.6° | 67.0° |
| C13 | C12 | C11 | H8 | 169.4° | 173.9° |
| C13 | C12 | H9 | H10 | 119.0° | 120.1° |
| C04 | C03 | C02 | C01 | 0.4° | 0.1° |
| C04 | C03 | C02 | C20 | 179.5° | 179.9° |
| C04 | C03 | C02 | N17 | 179.9° | 180.0° |
| C04 | C03 | C20 | O21 | 0.0° | 0.3° |
| C04 | C03 | C20 | N19 | 179.7° | 180.0° |
| C01 | C02 | C03 | N17 | 179.7° | 180.0° |
| C01 | C02 | C03 | C20 | 179.9° | 180.0° |
| C01 | C02 | N17 | C23 | 0.0° | 0.0° |
| C01 | C02 | N17 | C18 | 179.9° | 180.0° |
| C14 | C13 | H1 | H2 | 121.8° | 121.0° |
| C14 | C13 | C12 | H9 | 177.5° | 56.6° |
| C14 | C13 | C12 | H10 | 58.2° | 176.8° |
| O16 | C14 | C13 | H1 | 104.3° | 103.2° |
| O16 | C14 | C13 | H2 | 16.9° | 17.8° |
| C02 | C03 | C20 | O21 | 179.5° | 179.8° |
| C02 | C03 | C20 | N19 | 0.2° | 0.1° |
| C03 | C02 | N17 | C23 | 179.7° | 179.9° |
| C03 | C02 | N17 | C18 | 0.4° | 0.0° |
| C03 | C02 | C01 | H5 | 179.6° | 179.9° |
| C02 | C03 | C04 | H6 | 178.9° | 179.9° |
| C20 | C03 | C02 | N17 | 0.5° | 0.0° |
| C03 | C20 | O21 | N19 | 179.7° | 179.7° |
| C03 | C20 | N19 | C18 | 0.1° | 0.1° |
| C03 | C20 | N19 | C24 | 179.7° | 180.0° |
| C20 | C03 | C04 | H6 | 0.5° | 0.0° |
| C02 | N17 | C23 | C18 | 179.9° | 180.0° |
| C02 | N17 | C18 | N19 | 0.1° | 0.0° |
| C02 | N17 | C18 | O22 | 179.6° | 180.0° |
| N17 | C02 | C01 | H5 | 0.1° | 0.0° |
| C02 | N17 | C23 | H11 | 180.0° | 94.3° |
| C02 | N17 | C23 | H12 | 60.0° | 145.6° |
| C02 | N17 | C23 | H13 | 60.0° | 25.7° |
| F31 | C28 | F29 | F30 | 119.8° | 120.0° |
| F31 | C28 | F29 | C24 | 120.7° | 120.0° |
| F31 | C28 | F30 | C24 | 120.0° | 120.0° |
| F31 | C28 | C24 | N19 | 62.2° | 180.0° |
| F31 | C28 | C24 | H3 | 177.9° | 60.0° |
| F31 | C28 | C24 | H4 | 57.7° | 60.0° |
| O21 | C20 | N19 | C18 | 179.8° | 179.8° |
| O21 | C20 | N19 | C24 | 0.6° | 0.3° |
| C20 | N19 | C18 | N17 | 0.2° | 0.1° |
| C20 | N19 | C24 | C28 | 90.8° | 90.0° |
| C20 | N19 | C18 | C24 | 179.6° | 179.9° |
| C20 | N19 | C18 | O22 | 179.8° | 180.0° |
| C20 | N19 | C24 | H3 | 149.3° | 30.0° |
| C20 | N19 | C24 | H4 | 29.2° | 150.0° |
| C23 | N17 | C18 | N19 | 180.0° | 179.9° |
| C23 | N17 | C18 | O22 | 0.4° | 0.0° |
| N17 | C23 | H11 | H12 | 120.0° | 120.1° |
| N17 | C23 | H11 | H13 | 120.0° | 120.0° |
| N17 | C23 | H12 | H13 | 120.0° | 119.9° |
| N17 | C18 | N19 | O22 | 179.6° | 180.0° |
| N17 | C18 | N19 | C24 | 179.8° | 180.0° |
| C18 | N17 | C23 | H11 | 0.1° | 85.7° |
| C18 | N17 | C23 | H12 | 119.9° | 34.4° |
| C18 | N17 | C23 | H13 | 120.1° | 154.3° |
| F29 | C28 | F30 | C24 | 121.4° | 120.0° |
| F29 | C28 | C24 | N19 | 57.7° | 60.0° |
| F29 | C28 | C24 | H3 | 62.2° | 60.0° |
| F29 | C28 | C24 | H4 | 177.6° | 180.0° |
| F30 | C28 | C24 | N19 | 177.4° | 60.0° |
| F30 | C28 | C24 | H3 | 57.5° | 180.0° |
| F30 | C28 | C24 | H4 | 62.7° | 60.0° |
| C28 | C24 | N19 | C18 | 88.8° | 89.9° |
| C28 | C24 | N19 | H3 | 119.9° | 120.0° |
| C28 | C24 | N19 | H4 | 119.9° | 120.0° |
| C28 | C24 | H3 | H4 | 120.2° | 120.0° |
| C18 | N19 | C24 | H3 | 31.1° | 150.1° |
| C18 | N19 | C24 | H4 | 151.2° | 30.0° |
| C24 | N19 | C18 | O22 | 0.6° | 0.0° |
| N19 | C24 | H3 | H4 | 120.3° | 120.0° |
| H1 | C13 | C12 | H9 | 63.1° | 176.2° |
| H1 | C13 | C12 | H10 | 177.6° | 63.7° |
| H2 | C13 | C12 | H9 | 58.2° | 62.9° |
| H2 | C13 | C12 | H10 | 61.2° | 57.2° |
| H7 | C11 | C12 | H9 | 48.7° | 173.1° |
| H7 | C11 | C12 | H10 | 168.0° | 53.0° |
| H8 | C11 | C12 | H9 | 70.3° | 54.0° |
| H8 | C11 | C12 | H10 | 49.1° | 66.1° |
| H11 | C23 | H12 | H13 | 119.9° | 120.0° |
