WL4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N13 | C12 | trip | 1.14Å | 1.13Å | |
| C12 | C11 | sing | 1.43Å | 1.52Å | |
| C11 | C14 | doub | 1.40Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C07 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | N06 | sing | 1.40Å | 1.46Å | |
| C07 | C08 | doub | 1.39Å | 1.40Å | Aromatic |
| N06 | C04 | sing | 1.35Å | 1.45Å | |
| C09 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C04 | C02 | sing | 1.51Å | 1.53Å | |
| C04 | O05 | doub | 1.21Å | 1.19Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| 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 | |
| C03 | 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 | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| N06 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N13 | C12 | C11 | 178.2° | 180.0° |
| C12 | C11 | C14 | 116.4° | 120.1° |
| C12 | C11 | C10 | 123.1° | 120.1° |
| C14 | C11 | C10 | 120.5° | 119.8° |
| C11 | C14 | C07 | 121.0° | 119.8° |
| C11 | C14 | H11 | 119.5° | 120.1° |
| C11 | C10 | C09 | 119.3° | 120.0° |
| C11 | C10 | H1 | 120.4° | 120.0° |
| C14 | C07 | N06 | 115.6° | 120.0° |
| C14 | C07 | C08 | 118.9° | 120.0° |
| C07 | C14 | H11 | 119.5° | 120.2° |
| C10 | C09 | C08 | 120.1° | 120.2° |
| C09 | C10 | H1 | 120.3° | 120.0° |
| C10 | C09 | H10 | 120.0° | 119.9° |
| N06 | C07 | C08 | 125.5° | 120.0° |
| C07 | N06 | C04 | 125.4° | 120.0° |
| C07 | N06 | H12 | 117.3° | 120.0° |
| C07 | C08 | C09 | 120.2° | 120.2° |
| C07 | C08 | H9 | 119.9° | 119.9° |
| N06 | C04 | C02 | 117.3° | 120.0° |
| N06 | C04 | O05 | 121.5° | 120.0° |
| C04 | N06 | H12 | 117.3° | 120.0° |
| C09 | C08 | H9 | 119.9° | 119.9° |
| C08 | C09 | H10 | 120.0° | 119.8° |
| C03 | C02 | C04 | 111.6° | 109.5° |
| C03 | C02 | C01 | 112.9° | 109.5° |
| C03 | C02 | H5 | 106.3° | 109.5° |
| C02 | C03 | H6 | 109.5° | 109.4° |
| C02 | C03 | H7 | 109.5° | 109.4° |
| C02 | C03 | H8 | 109.5° | 109.5° |
| C02 | C04 | O05 | 121.2° | 120.0° |
| C04 | C02 | C01 | 112.9° | 109.4° |
| C04 | C02 | H5 | 106.3° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.4° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C01 | C02 | H5 | 106.3° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H4 | 109.4° | 109.4° |
| H6 | C03 | H7 | 109.5° | 109.5° |
| H6 | C03 | H8 | 109.5° | 109.4° |
| H7 | C03 | H8 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N13 | C12 | C11 | C14 | 7.0° | 169.3° |
| N13 | C12 | C11 | C10 | 172.8° | 10.6° |
| C12 | C11 | C14 | C10 | 179.8° | 180.0° |
| C12 | C11 | C14 | C07 | 179.7° | 180.0° |
| C12 | C11 | C10 | C09 | 179.8° | 180.0° |
| C12 | C11 | C10 | H1 | 0.2° | 0.3° |
| C12 | C11 | C14 | H11 | 0.2° | 0.0° |
| C11 | C14 | C07 | H11 | 180.0° | 180.0° |
| C14 | C11 | C10 | C09 | 0.0° | 0.0° |
| C11 | C14 | C07 | N06 | 179.8° | 179.7° |
| C11 | C14 | C07 | C08 | 0.4° | 0.3° |
| C14 | C11 | C10 | H1 | 180.0° | 179.7° |
| C10 | C11 | C14 | C07 | 0.4° | 0.0° |
| C11 | C10 | C09 | H1 | 180.0° | 179.7° |
| C11 | C10 | C09 | C08 | 0.4° | 0.3° |
| C11 | C10 | C09 | H10 | 179.6° | 179.7° |
| C10 | C11 | C14 | H11 | 179.6° | 180.0° |
| C14 | C07 | N06 | C08 | 179.7° | 179.4° |
| C14 | C07 | N06 | C04 | 169.6° | 33.7° |
| C14 | C07 | C08 | C09 | 0.0° | 0.6° |
| C14 | C07 | C08 | H9 | 179.9° | 179.5° |
| C14 | C07 | N06 | H12 | 10.4° | 146.2° |
| C10 | C09 | C08 | C07 | 0.4° | 0.6° |
| C10 | C09 | C08 | H10 | 180.0° | 180.0° |
| C10 | C09 | C08 | H9 | 179.6° | 179.5° |
| C07 | N06 | C04 | H12 | 180.0° | 179.9° |
| N06 | C07 | C08 | C09 | 179.8° | 180.0° |
| C07 | N06 | C04 | C02 | 179.7° | 174.7° |
| C07 | N06 | C04 | O05 | 0.2° | 5.3° |
| N06 | C07 | C08 | H9 | 0.2° | 0.0° |
| N06 | C07 | C14 | H11 | 0.2° | 0.3° |
| C08 | C07 | N06 | C04 | 10.1° | 146.9° |
| C07 | C08 | C09 | H9 | 180.0° | 179.9° |
| C07 | C08 | C09 | H10 | 179.6° | 179.5° |
| C08 | C07 | C14 | H11 | 179.6° | 179.7° |
| C08 | C07 | N06 | H12 | 169.9° | 33.2° |
| N06 | C04 | C02 | C03 | 83.9° | 60.0° |
| N06 | C04 | C02 | O05 | 180.0° | 179.9° |
| N06 | C04 | C02 | C01 | 147.7° | 180.0° |
| N06 | C04 | C02 | H5 | 31.6° | 60.0° |
| C08 | C09 | C10 | H1 | 179.6° | 180.0° |
| C03 | C02 | C04 | C01 | 128.4° | 120.0° |
| C03 | C02 | C04 | H5 | 115.5° | 120.0° |
| C03 | C02 | C04 | O05 | 96.1° | 120.0° |
| C03 | C02 | C01 | H5 | 116.1° | 120.0° |
| C03 | C02 | C01 | H2 | 180.0° | 60.0° |
| C03 | C02 | C01 | H3 | 60.0° | 180.0° |
| C03 | C02 | C01 | H4 | 60.0° | 60.0° |
| C02 | C03 | H6 | H7 | 120.0° | 119.9° |
| C02 | C03 | H6 | H8 | 120.0° | 120.0° |
| C02 | C03 | H7 | H8 | 120.0° | 120.0° |
| C04 | C02 | C01 | H5 | 116.1° | 120.0° |
| C04 | C02 | C01 | H2 | 52.3° | 180.0° |
| C04 | C02 | C01 | H3 | 67.7° | 60.0° |
| C04 | C02 | C01 | H4 | 172.3° | 60.0° |
| C04 | C02 | C03 | H6 | 180.0° | 60.0° |
| C04 | C02 | C03 | H7 | 60.0° | 180.0° |
| C04 | C02 | C03 | H8 | 60.0° | 59.9° |
| C02 | C04 | N06 | H12 | 0.2° | 5.2° |
| O05 | C04 | C02 | C01 | 32.3° | 0.0° |
| O05 | C04 | C02 | H5 | 148.4° | 120.0° |
| O05 | C04 | N06 | H12 | 179.8° | 174.7° |
| 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 | C03 | H6 | 51.6° | 180.0° |
| C01 | C02 | C03 | H7 | 68.4° | 60.0° |
| C01 | C02 | C03 | H8 | 171.6° | 60.0° |
| H1 | C10 | C09 | H10 | 0.4° | 0.0° |
| H2 | C01 | H3 | H4 | 120.0° | 120.0° |
| H2 | C01 | C02 | H5 | 63.9° | 60.0° |
| H3 | C01 | C02 | H5 | 176.1° | 60.0° |
| H4 | C01 | C02 | H5 | 56.1° | 180.0° |
| H5 | C02 | C03 | H6 | 64.5° | 60.0° |
| H5 | C02 | C03 | H7 | 175.5° | 60.0° |
| H5 | C02 | C03 | H8 | 55.5° | 179.9° |
| H6 | C03 | H7 | H8 | 120.0° | 120.0° |
| H9 | C08 | C09 | H10 | 0.4° | 0.5° |
