WLD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| CL1 | C13 | sing | 1.74Å | 1.76Å | |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
| O03 | C02 | sing | 1.43Å | 1.41Å | |
| C10 | C08 | doub | 1.38Å | 1.37Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.37Å | Aromatic |
| C07 | C06 | sing | 1.51Å | 1.52Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C02 | C04 | sing | 1.53Å | 1.52Å | |
| C08 | CL0 | sing | 1.74Å | 1.76Å | |
| N05 | C06 | sing | 1.47Å | 1.44Å | |
| N05 | C04 | sing | 1.47Å | 1.45Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| N05 | H12 | sing | 1.01Å | 1.00Å | |
| O03 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C12 | C13 | 120.0° | 120.1° |
| C12 | C11 | C10 | 120.1° | 120.0° |
| C12 | C11 | H10 | 120.0° | 120.0° |
| C11 | C12 | H11 | 120.0° | 120.0° |
| C12 | C13 | CL1 | 121.2° | 120.0° |
| C12 | C13 | C07 | 120.3° | 120.0° |
| C13 | C12 | H11 | 120.0° | 120.0° |
| CL1 | C13 | C07 | 118.5° | 120.0° |
| C11 | C10 | C08 | 118.9° | 120.0° |
| C11 | C10 | H1 | 120.5° | 120.0° |
| C10 | C11 | H10 | 120.0° | 120.0° |
| C13 | C07 | C08 | 119.1° | 120.0° |
| C13 | C07 | C06 | 121.2° | 120.0° |
| O03 | C02 | C01 | 110.1° | 109.5° |
| O03 | C02 | C04 | 108.4° | 109.4° |
| O03 | C02 | H5 | 110.5° | 109.5° |
| C02 | O03 | H14 | 109.5° | 114.0° |
| C10 | C08 | C07 | 121.7° | 120.0° |
| C10 | C08 | CL0 | 120.0° | 120.0° |
| C08 | C10 | H1 | 120.6° | 120.1° |
| C08 | C07 | C06 | 119.7° | 120.0° |
| C07 | C08 | CL0 | 118.3° | 120.0° |
| C07 | C06 | N05 | 110.7° | 109.4° |
| C07 | C06 | H8 | 109.2° | 109.5° |
| C07 | C06 | H9 | 109.2° | 109.5° |
| C01 | C02 | C04 | 110.2° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C01 | C02 | H5 | 108.8° | 109.5° |
| C02 | C04 | N05 | 108.0° | 109.5° |
| C04 | C02 | H5 | 108.9° | 109.4° |
| C02 | C04 | H6 | 109.8° | 109.5° |
| C02 | C04 | H7 | 109.8° | 109.5° |
| C06 | N05 | C04 | 110.1° | 111.0° |
| N05 | C06 | H8 | 109.2° | 109.4° |
| N05 | C06 | H9 | 109.2° | 109.5° |
| C06 | N05 | H12 | 109.3° | 111.0° |
| N05 | C04 | H6 | 109.8° | 109.4° |
| N05 | C04 | H7 | 109.8° | 109.5° |
| C04 | N05 | H12 | 109.3° | 110.9° |
| H2 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H4 | 109.4° | 109.5° |
| H3 | C01 | H4 | 109.5° | 109.4° |
| H6 | C04 | H7 | 109.5° | 109.4° |
| H8 | C06 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C12 | C13 | H11 | 180.0° | 180.0° |
| C11 | C12 | C13 | CL1 | 179.8° | 179.8° |
| C12 | C11 | C10 | H10 | 180.0° | 180.0° |
| C11 | C12 | C13 | C07 | 0.4° | 0.3° |
| C12 | C11 | C10 | C08 | 0.2° | 0.0° |
| C12 | C11 | C10 | H1 | 179.8° | 179.7° |
| C12 | C13 | CL1 | C07 | 179.7° | 179.5° |
| C13 | C12 | C11 | C10 | 0.2° | 0.0° |
| C12 | C13 | C07 | C08 | 0.4° | 0.5° |
| C12 | C13 | C07 | C06 | 179.6° | 180.0° |
| C13 | C12 | C11 | H10 | 179.8° | 180.0° |
| CL1 | C13 | C07 | C08 | 179.9° | 180.0° |
| CL1 | C13 | C07 | C06 | 0.6° | 0.5° |
| CL1 | C13 | C12 | H11 | 0.1° | 0.3° |
| C11 | C10 | C08 | H1 | 180.0° | 179.8° |
| C11 | C10 | C08 | C07 | 0.2° | 0.3° |
| C11 | C10 | C08 | CL0 | 179.9° | 179.8° |
| C10 | C11 | C12 | H11 | 179.9° | 180.0° |
| C13 | C07 | C08 | C10 | 0.0° | 0.5° |
| C13 | C07 | C08 | C06 | 179.3° | 179.4° |
| C13 | C07 | C08 | CL0 | 179.8° | 179.5° |
| C13 | C07 | C06 | N05 | 91.9° | 90.1° |
| C13 | C07 | C06 | H8 | 28.3° | 150.0° |
| C13 | C07 | C06 | H9 | 147.9° | 29.9° |
| C07 | C13 | C12 | H11 | 179.6° | 179.8° |
| O03 | C02 | C01 | C04 | 119.5° | 120.0° |
| O03 | C02 | C01 | H5 | 121.2° | 120.0° |
| O03 | C02 | C04 | H5 | 120.2° | 120.0° |
| O03 | C02 | C04 | N05 | 55.1° | 65.0° |
| O03 | C02 | C01 | H2 | 180.0° | 180.0° |
| O03 | C02 | C01 | H3 | 60.0° | 60.0° |
| O03 | C02 | C01 | H4 | 60.0° | 60.0° |
| O03 | C02 | C04 | H6 | 174.9° | 175.0° |
| O03 | C02 | C04 | H7 | 64.7° | 55.1° |
| C10 | C08 | C07 | CL0 | 179.9° | 179.9° |
| C10 | C08 | C07 | C06 | 179.3° | 180.0° |
| C08 | C10 | C11 | H10 | 179.8° | 180.0° |
| C08 | C07 | C06 | N05 | 88.9° | 90.5° |
| C07 | C08 | C10 | H1 | 179.8° | 180.0° |
| C08 | C07 | C06 | H8 | 151.0° | 29.5° |
| C08 | C07 | C06 | H9 | 31.3° | 149.5° |
| C06 | C07 | C08 | CL0 | 0.6° | 0.1° |
| C07 | C06 | N05 | H8 | 120.2° | 120.0° |
| C07 | C06 | N05 | H9 | 120.2° | 120.0° |
| C07 | C06 | N05 | C04 | 152.3° | 180.0° |
| C07 | C06 | H8 | H9 | 119.5° | 120.0° |
| C07 | C06 | N05 | H12 | 87.6° | 56.1° |
| C01 | C02 | C04 | H5 | 119.3° | 120.0° |
| C01 | C02 | C04 | N05 | 175.6° | 175.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.1° |
| C02 | C01 | H2 | H4 | 120.0° | 120.0° |
| C02 | C01 | H3 | H4 | 120.0° | 120.0° |
| C01 | C02 | C04 | H6 | 64.7° | 55.0° |
| C01 | C02 | C04 | H7 | 55.8° | 65.0° |
| C01 | C02 | O03 | H14 | 180.0° | 60.0° |
| C02 | C04 | N05 | C06 | 165.9° | 180.0° |
| C02 | C04 | N05 | H6 | 119.8° | 120.0° |
| C02 | C04 | N05 | H7 | 119.8° | 120.0° |
| C04 | C02 | C01 | H2 | 60.5° | 60.0° |
| C04 | C02 | C01 | H3 | 179.5° | 180.0° |
| C04 | C02 | C01 | H4 | 59.5° | 60.0° |
| C02 | C04 | H6 | H7 | 120.7° | 120.0° |
| C02 | C04 | N05 | H12 | 74.0° | 56.0° |
| C04 | C02 | O03 | H14 | 59.5° | 60.1° |
| CL0 | C08 | C10 | H1 | 0.1° | 0.0° |
| C06 | N05 | C04 | H12 | 120.1° | 123.9° |
| C06 | N05 | C04 | H6 | 74.3° | 59.9° |
| C06 | N05 | C04 | H7 | 46.1° | 60.0° |
| N05 | C06 | H8 | H9 | 119.5° | 120.0° |
| N05 | C04 | C02 | H5 | 65.1° | 55.0° |
| N05 | C04 | H6 | H7 | 120.7° | 119.9° |
| C04 | N05 | C06 | H8 | 32.2° | 60.0° |
| C04 | N05 | C06 | H9 | 87.5° | 60.0° |
| H1 | C10 | C11 | H10 | 0.2° | 0.2° |
| H2 | C01 | H3 | H4 | 120.0° | 120.0° |
| H2 | C01 | C02 | H5 | 58.8° | 60.0° |
| H3 | C01 | C02 | H5 | 61.1° | 60.0° |
| H4 | C01 | C02 | H5 | 178.8° | 180.0° |
| H5 | C02 | C04 | H6 | 54.6° | 65.0° |
| H5 | C02 | C04 | H7 | 175.1° | 175.0° |
| H5 | C02 | O03 | H14 | 59.8° | 180.0° |
| H6 | C04 | N05 | H12 | 45.8° | 64.0° |
| H7 | C04 | N05 | H12 | 166.2° | 176.1° |
| H8 | C06 | N05 | H12 | 152.3° | 176.1° |
| H9 | C06 | N05 | H12 | 32.6° | 63.9° |
| H10 | C11 | C12 | H11 | 0.1° | 0.0° |
