L57
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C06 | sing | 1.74Å | 1.79Å | |
| CL2 | C05 | sing | 1.74Å | 1.83Å | |
| C06 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | C01 | sing | 1.39Å | 1.38Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| C01 | C02 | doub | 1.38Å | 1.36Å | Aromatic |
| C04 | C03 | doub | 1.39Å | 1.40Å | Aromatic |
| C02 | C03 | sing | 1.40Å | 1.37Å | Aromatic |
| C03 | C07 | sing | 1.48Å | 1.47Å | |
| C07 | C08 | sing | 1.48Å | 1.46Å | |
| C07 | N14 | doub | 1.30Å | 1.25Å | |
| C09 | C08 | doub | 1.39Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| N14 | O15 | sing | 1.42Å | 1.23Å | |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| O15 | C16 | sing | 1.43Å | 1.43Å | |
| C13 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | C17 | sing | 1.51Å | 1.50Å | |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| O19 | C17 | doub | 1.21Å | 1.24Å | |
| C17 | O18 | sing | 1.34Å | 1.25Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| C02 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| O18 | H6 | sing | 0.97Å | 0.95Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C09 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C06 | C05 | 124.8° | 119.9° |
| CL1 | C06 | C01 | 113.7° | 119.9° |
| CL2 | C05 | C06 | 124.3° | 120.0° |
| CL2 | C05 | C04 | 120.3° | 120.0° |
| C05 | C06 | C01 | 121.6° | 120.2° |
| C06 | C05 | C04 | 115.4° | 120.1° |
| C06 | C01 | C02 | 122.2° | 120.1° |
| C06 | C01 | H1 | 118.9° | 119.9° |
| C05 | C04 | C03 | 122.9° | 119.9° |
| C05 | C04 | H2 | 118.5° | 120.1° |
| C01 | C02 | C03 | 118.2° | 119.9° |
| C02 | C01 | H1 | 118.9° | 119.9° |
| C01 | C02 | H3 | 120.9° | 120.1° |
| C04 | C03 | C02 | 119.8° | 119.8° |
| C04 | C03 | C07 | 121.0° | 120.1° |
| C03 | C04 | H2 | 118.5° | 120.0° |
| C02 | C03 | C07 | 119.1° | 120.1° |
| C03 | C02 | H3 | 120.9° | 120.1° |
| C03 | C07 | C08 | 122.8° | 120.0° |
| C03 | C07 | N14 | 132.5° | 120.0° |
| C08 | C07 | N14 | 104.8° | 120.0° |
| C07 | C08 | C09 | 122.6° | 120.1° |
| C07 | C08 | C13 | 114.2° | 120.1° |
| C07 | N14 | O15 | 136.3° | 120.0° |
| C08 | C09 | C10 | 118.4° | 119.9° |
| C09 | C08 | C13 | 123.2° | 119.7° |
| C08 | C09 | H11 | 120.8° | 120.1° |
| C09 | C10 | C11 | 119.0° | 120.1° |
| C09 | C10 | H10 | 120.5° | 119.9° |
| C10 | C09 | H11 | 120.8° | 120.0° |
| C08 | C13 | C12 | 117.6° | 119.9° |
| C08 | C13 | H7 | 121.2° | 120.0° |
| N14 | O15 | C16 | 108.1° | 114.0° |
| C10 | C11 | C12 | 121.2° | 120.2° |
| C10 | C11 | H9 | 119.4° | 119.9° |
| C11 | C10 | H10 | 120.5° | 119.9° |
| O15 | C16 | C17 | 110.7° | 109.5° |
| O15 | C16 | H4 | 109.2° | 109.5° |
| O15 | C16 | H5 | 109.2° | 109.4° |
| C13 | C12 | C11 | 120.7° | 120.2° |
| C12 | C13 | H7 | 121.2° | 120.1° |
| C13 | C12 | H8 | 119.6° | 119.9° |
| C16 | C17 | O19 | 117.6° | 120.0° |
| C16 | C17 | O18 | 118.0° | 120.0° |
| C17 | C16 | H4 | 109.2° | 109.5° |
| C17 | C16 | H5 | 109.2° | 109.5° |
| C11 | C12 | H8 | 119.7° | 119.9° |
| C12 | C11 | H9 | 119.4° | 119.9° |
| O19 | C17 | O18 | 124.4° | 120.0° |
| C17 | O18 | H6 | 109.5° | 117.0° |
| H4 | C16 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C06 | C05 | CL2 | 2.9° | 0.0° |
| CL1 | C06 | C05 | C01 | 179.6° | 179.7° |
| CL1 | C06 | C05 | C04 | 179.9° | 180.0° |
| CL1 | C06 | C01 | C02 | 178.8° | 180.0° |
| CL1 | C06 | C01 | H1 | 1.2° | 0.0° |
| CL2 | C05 | C06 | C04 | 177.2° | 180.0° |
| CL2 | C05 | C06 | C01 | 177.4° | 179.7° |
| CL2 | C05 | C04 | C03 | 179.3° | 180.0° |
| CL2 | C05 | C04 | H2 | 0.7° | 0.0° |
| C05 | C06 | C01 | C02 | 0.8° | 0.3° |
| C06 | C05 | C04 | C03 | 2.0° | 0.0° |
| C05 | C06 | C01 | H1 | 179.1° | 179.8° |
| C06 | C05 | C04 | H2 | 178.0° | 180.0° |
| C01 | C06 | C05 | C04 | 0.3° | 0.3° |
| C06 | C01 | C02 | H1 | 180.0° | 179.9° |
| C06 | C01 | C02 | C03 | 0.2° | 0.0° |
| C06 | C01 | C02 | H3 | 179.8° | 180.0° |
| C05 | C04 | C03 | H2 | 180.0° | 179.9° |
| C05 | C04 | C03 | C02 | 2.7° | 0.3° |
| C05 | C04 | C03 | C07 | 179.7° | 180.0° |
| C01 | C02 | C03 | C04 | 1.5° | 0.3° |
| C01 | C02 | C03 | H3 | 180.0° | 180.0° |
| C01 | C02 | C03 | C07 | 178.6° | 179.9° |
| C04 | C03 | C02 | C07 | 177.0° | 179.7° |
| C04 | C03 | C07 | C08 | 34.1° | 142.6° |
| C04 | C03 | C07 | N14 | 147.5° | 37.4° |
| C04 | C03 | C02 | H3 | 178.5° | 179.7° |
| C02 | C03 | C07 | C08 | 142.9° | 37.7° |
| C02 | C03 | C07 | N14 | 35.5° | 142.3° |
| C03 | C02 | C01 | H1 | 179.8° | 180.0° |
| C02 | C03 | C04 | H2 | 177.2° | 179.7° |
| C03 | C07 | C08 | N14 | 178.7° | 180.0° |
| C03 | C07 | C08 | C09 | 20.2° | 14.3° |
| C03 | C07 | C08 | C13 | 161.8° | 166.0° |
| C03 | C07 | N14 | O15 | 0.4° | 5.3° |
| C07 | C03 | C04 | H2 | 0.3° | 0.1° |
| C07 | C03 | C02 | H3 | 1.4° | 0.1° |
| C07 | C08 | C09 | C13 | 177.8° | 179.7° |
| C07 | C08 | C09 | C10 | 177.9° | 179.7° |
| C08 | C07 | N14 | O15 | 178.2° | 174.7° |
| C07 | C08 | C13 | C12 | 179.1° | 180.0° |
| C07 | C08 | C13 | H7 | 1.0° | 0.0° |
| C07 | C08 | C09 | H11 | 2.1° | 0.0° |
| N14 | C07 | C08 | C09 | 158.5° | 165.7° |
| N14 | C07 | C08 | C13 | 19.5° | 14.0° |
| C07 | N14 | O15 | C16 | 165.4° | 180.0° |
| C08 | C09 | C10 | H11 | 180.0° | 179.7° |
| C08 | C09 | C10 | C11 | 1.0° | 0.6° |
| C09 | C08 | C13 | C12 | 1.0° | 0.2° |
| C09 | C08 | C13 | H7 | 179.0° | 179.7° |
| C08 | C09 | C10 | H10 | 179.0° | 179.8° |
| C10 | C09 | C08 | C13 | 0.1° | 0.6° |
| C09 | C10 | C11 | H10 | 180.0° | 179.6° |
| C09 | C10 | C11 | C12 | 1.1° | 0.3° |
| C09 | C10 | C11 | H9 | 178.9° | 179.7° |
| C08 | C13 | C12 | H7 | 180.0° | 180.0° |
| C08 | C13 | C12 | C11 | 0.9° | 0.1° |
| C08 | C13 | C12 | H8 | 179.1° | 180.0° |
| C13 | C08 | C09 | H11 | 179.9° | 179.7° |
| N14 | O15 | C16 | C17 | 112.4° | 180.0° |
| N14 | O15 | C16 | H4 | 7.7° | 60.0° |
| N14 | O15 | C16 | H5 | 127.4° | 60.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C10 | C11 | C12 | H9 | 180.0° | 180.0° |
| C10 | C11 | C12 | H8 | 179.9° | 180.0° |
| C11 | C10 | C09 | H11 | 179.0° | 179.7° |
| O15 | C16 | C17 | H4 | 120.2° | 120.0° |
| O15 | C16 | C17 | H5 | 120.2° | 120.0° |
| O15 | C16 | C17 | O19 | 81.9° | 0.0° |
| O15 | C16 | C17 | O18 | 99.2° | 180.0° |
| O15 | C16 | H4 | H5 | 119.4° | 119.9° |
| C13 | C12 | C11 | H8 | 180.0° | 179.9° |
| C13 | C12 | C11 | H9 | 179.9° | 179.9° |
| C16 | C17 | O19 | O18 | 178.8° | 180.0° |
| C17 | C16 | H4 | H5 | 119.5° | 120.1° |
| C16 | C17 | O18 | H6 | 178.8° | 180.0° |
| C11 | C12 | C13 | H7 | 179.1° | 179.9° |
| C12 | C11 | C10 | H10 | 178.9° | 179.9° |
| O19 | C17 | C16 | H4 | 158.0° | 120.0° |
| O19 | C17 | C16 | H5 | 38.3° | 120.0° |
| O19 | C17 | O18 | H6 | 0.0° | 0.0° |
| O18 | C17 | C16 | H4 | 20.9° | 60.0° |
| O18 | C17 | C16 | H5 | 140.6° | 60.0° |
| H1 | C01 | C02 | H3 | 0.2° | 0.0° |
| H7 | C13 | C12 | H8 | 0.9° | 0.0° |
| H8 | C12 | C11 | H9 | 0.1° | 0.0° |
| H9 | C11 | C10 | H10 | 1.1° | 0.1° |
| H10 | C10 | C09 | H11 | 1.0° | 0.1° |
