WNS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C12 | sing | 1.74Å | 1.77Å | |
| N11 | C12 | doub | 1.32Å | 1.31Å | Aromatic |
| N11 | C10 | sing | 1.32Å | 1.32Å | Aromatic |
| C12 | C07 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | N06 | sing | 1.40Å | 1.46Å | |
| C07 | C08 | doub | 1.39Å | 1.39Å | Aromatic |
| N06 | C04 | sing | 1.35Å | 1.45Å | |
| C01 | C02 | sing | 1.53Å | 1.52Å | |
| C09 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C03 | C04 | sing | 1.51Å | 1.53Å | |
| C04 | O05 | doub | 1.21Å | 1.18Å | |
| 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 | |
| C02 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.08Å | 1.08Å | |
| C09 | H10 | sing | 1.08Å | 1.08Å | |
| N06 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C12 | N11 | 119.3° | 119.7° |
| CL1 | C12 | C07 | 118.7° | 119.6° |
| C12 | N11 | C10 | 121.4° | 121.8° |
| N11 | C12 | C07 | 122.0° | 120.7° |
| N11 | C10 | C09 | 120.3° | 120.9° |
| N11 | C10 | H1 | 119.8° | 119.6° |
| C12 | C07 | N06 | 118.2° | 120.6° |
| C12 | C07 | C08 | 118.6° | 119.0° |
| C10 | C09 | C08 | 120.0° | 119.3° |
| C09 | C10 | H1 | 119.8° | 119.5° |
| C10 | C09 | H10 | 120.0° | 120.4° |
| N06 | C07 | C08 | 123.1° | 120.4° |
| C07 | N06 | C04 | 124.0° | 120.0° |
| C07 | N06 | H11 | 118.0° | 119.9° |
| C07 | C08 | C09 | 117.7° | 118.4° |
| C07 | C08 | H9 | 121.2° | 120.8° |
| N06 | C04 | C03 | 119.1° | 120.0° |
| N06 | C04 | O05 | 120.9° | 120.0° |
| C04 | N06 | H11 | 118.0° | 120.0° |
| C01 | C02 | C03 | 111.4° | 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 | 109.0° | 109.5° |
| C01 | C02 | H6 | 109.0° | 109.5° |
| C09 | C08 | H9 | 121.1° | 120.8° |
| C08 | C09 | H10 | 120.0° | 120.4° |
| C02 | C03 | C04 | 112.0° | 109.5° |
| C03 | C02 | H5 | 109.0° | 109.5° |
| C03 | C02 | H6 | 109.0° | 109.5° |
| C02 | C03 | H7 | 108.8° | 109.5° |
| C02 | C03 | H8 | 108.9° | 109.5° |
| C03 | C04 | O05 | 120.0° | 120.0° |
| C04 | C03 | H7 | 108.8° | 109.4° |
| C04 | C03 | H8 | 108.8° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H4 | 109.5° | 109.4° |
| H3 | C01 | H4 | 109.5° | 109.5° |
| H5 | C02 | H6 | 109.5° | 109.5° |
| H7 | C03 | H8 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C12 | N11 | C07 | 178.8° | 179.2° |
| CL1 | C12 | N11 | C10 | 178.8° | 179.7° |
| CL1 | C12 | C07 | N06 | 2.6° | 0.0° |
| CL1 | C12 | C07 | C08 | 179.7° | 180.0° |
| C12 | N11 | C10 | C09 | 0.5° | 0.1° |
| N11 | C12 | C07 | N06 | 178.6° | 179.2° |
| N11 | C12 | C07 | C08 | 0.8° | 0.8° |
| C12 | N11 | C10 | H1 | 179.5° | 179.8° |
| C10 | N11 | C12 | C07 | 0.0° | 0.5° |
| N11 | C10 | C09 | H1 | 180.0° | 179.7° |
| N11 | C10 | C09 | C08 | 0.2° | 0.3° |
| N11 | C10 | C09 | H10 | 179.9° | 179.7° |
| C12 | C07 | N06 | C08 | 177.6° | 180.0° |
| C12 | C07 | N06 | C04 | 151.0° | 145.8° |
| C12 | C07 | C08 | C09 | 1.2° | 0.5° |
| C12 | C07 | C08 | H9 | 178.9° | 180.0° |
| C12 | C07 | N06 | H11 | 29.1° | 34.2° |
| C10 | C09 | C08 | C07 | 0.7° | 0.0° |
| C10 | C09 | C08 | H10 | 180.0° | 180.0° |
| C10 | C09 | C08 | H9 | 179.3° | 179.5° |
| C07 | N06 | C04 | H11 | 180.0° | 180.0° |
| N06 | C07 | C08 | C09 | 178.8° | 179.5° |
| C07 | N06 | C04 | C03 | 179.1° | 175.7° |
| C07 | N06 | C04 | O05 | 1.3° | 4.2° |
| N06 | C07 | C08 | H9 | 1.3° | 0.0° |
| C08 | C07 | N06 | C04 | 31.4° | 34.2° |
| C07 | C08 | C09 | H9 | 180.0° | 179.5° |
| C07 | C08 | C09 | H10 | 179.3° | 180.0° |
| C08 | C07 | N06 | H11 | 148.6° | 145.8° |
| N06 | C04 | C03 | C02 | 76.8° | 180.0° |
| N06 | C04 | C03 | O05 | 179.7° | 180.0° |
| N06 | C04 | C03 | H7 | 162.8° | 60.0° |
| N06 | C04 | C03 | H8 | 43.6° | 60.0° |
| C01 | C02 | C03 | H5 | 120.3° | 120.0° |
| C01 | C02 | C03 | H6 | 120.3° | 120.0° |
| C01 | C02 | C03 | C04 | 143.9° | 180.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H4 | 120.0° | 120.0° |
| C02 | C01 | H3 | H4 | 120.0° | 120.0° |
| C01 | C02 | H5 | H6 | 119.1° | 120.0° |
| C01 | C02 | C03 | H7 | 95.7° | 60.0° |
| C01 | C02 | C03 | H8 | 23.6° | 60.0° |
| C08 | C09 | C10 | H1 | 179.9° | 180.0° |
| C02 | C03 | C04 | H7 | 120.4° | 120.0° |
| C02 | C03 | C04 | H8 | 120.4° | 120.0° |
| C02 | C03 | C04 | O05 | 103.5° | 0.0° |
| C03 | C02 | C01 | H2 | 180.0° | 180.0° |
| C03 | C02 | C01 | H3 | 60.0° | 60.0° |
| C03 | C02 | C01 | H4 | 60.0° | 60.0° |
| C03 | C02 | H5 | H6 | 119.1° | 120.0° |
| C02 | C03 | H7 | H8 | 118.9° | 120.0° |
| C04 | C03 | C02 | H5 | 23.6° | 60.0° |
| C04 | C03 | C02 | H6 | 95.8° | 60.0° |
| C04 | C03 | H7 | H8 | 118.8° | 120.0° |
| C03 | C04 | N06 | H11 | 0.9° | 4.3° |
| O05 | C04 | C03 | H7 | 16.8° | 120.1° |
| O05 | C04 | C03 | H8 | 136.1° | 120.0° |
| O05 | C04 | N06 | H11 | 178.8° | 175.8° |
| H1 | C10 | C09 | H10 | 0.1° | 0.0° |
| H2 | C01 | H3 | H4 | 120.0° | 120.0° |
| H2 | C01 | C02 | H5 | 59.7° | 60.0° |
| H2 | C01 | C02 | H6 | 59.7° | 60.0° |
| H3 | C01 | C02 | H5 | 60.3° | 60.1° |
| H3 | C01 | C02 | H6 | 179.7° | 180.0° |
| H4 | C01 | C02 | H5 | 179.7° | 180.0° |
| H4 | C01 | C02 | H6 | 60.3° | 60.0° |
| H5 | C02 | C03 | H7 | 144.0° | 180.0° |
| H5 | C02 | C03 | H8 | 96.7° | 60.0° |
| H6 | C02 | C03 | H7 | 24.5° | 60.0° |
| H6 | C02 | C03 | H8 | 143.8° | 180.0° |
| H9 | C08 | C09 | H10 | 0.7° | 0.5° |
