WL6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.48Å | 1.45Å | |
| C01 | N03 | sing | 1.35Å | 1.38Å | Aromatic |
| C01 | N04 | doub | 1.31Å | 1.30Å | Aromatic |
| C02 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C02 | C06 | sing | 1.39Å | 1.38Å | Aromatic |
| N03 | C07 | doub | 1.31Å | 1.32Å | Aromatic |
| N04 | O08 | sing | 1.21Å | 1.38Å | Aromatic |
| C07 | O08 | sing | 1.34Å | 1.38Å | Aromatic |
| C05 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C10 | doub | 1.38Å | 1.34Å | Aromatic |
| C07 | C11 | sing | 1.51Å | 1.46Å | |
| C09 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C12 | sing | 1.38Å | 1.43Å | Aromatic |
| C11 | C13 | sing | 1.53Å | 1.51Å | |
| C12 | CL14 | sing | 1.74Å | 1.63Å | |
| C13 | C15 | sing | 1.53Å | 1.47Å | |
| C15 | C16 | sing | 1.51Å | 1.49Å | |
| C16 | O17 | doub | 1.21Å | 1.23Å | |
| C16 | O18 | sing | 1.34Å | 1.27Å | |
| C05 | H19 | sing | 1.08Å | 1.08Å | |
| C06 | H20 | sing | 1.08Å | 1.08Å | |
| C10 | H22 | sing | 1.08Å | 1.08Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H25 | sing | 1.09Å | 1.10Å | |
| C13 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| C09 | H21 | sing | 1.08Å | 1.08Å | |
| O18 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | N03 | 120.8° | 126.5° |
| C02 | C01 | N04 | 126.5° | 126.4° |
| C01 | C02 | C05 | 119.0° | 120.1° |
| C01 | C02 | C06 | 120.1° | 120.1° |
| N03 | C01 | N04 | 112.6° | 107.2° |
| C01 | N03 | C07 | 106.0° | 105.6° |
| C01 | N04 | O08 | 104.5° | 110.0° |
| C05 | C02 | C06 | 120.9° | 119.8° |
| C02 | C05 | C09 | 119.0° | 119.9° |
| C02 | C05 | H19 | 120.5° | 120.1° |
| C02 | C06 | C10 | 121.1° | 119.8° |
| C02 | C06 | H20 | 119.5° | 120.1° |
| N03 | C07 | O08 | 107.4° | 107.1° |
| N03 | C07 | C11 | 124.2° | 126.5° |
| N04 | O08 | C07 | 109.2° | 110.0° |
| O08 | C07 | C11 | 128.2° | 126.4° |
| C05 | C09 | C12 | 120.9° | 120.1° |
| C09 | C05 | H19 | 120.5° | 120.0° |
| C05 | C09 | H21 | 119.6° | 119.9° |
| C06 | C10 | C12 | 120.8° | 120.1° |
| C10 | C06 | H20 | 119.5° | 120.1° |
| C06 | C10 | H22 | 119.6° | 119.9° |
| C07 | C11 | C13 | 109.0° | 109.5° |
| C07 | C11 | H24 | 109.6° | 109.5° |
| C07 | C11 | H23 | 109.6° | 109.5° |
| C09 | C12 | C10 | 117.3° | 120.2° |
| C09 | C12 | CL14 | 119.5° | 119.9° |
| C12 | C09 | H21 | 119.6° | 120.0° |
| C10 | C12 | CL14 | 123.3° | 119.9° |
| C12 | C10 | H22 | 119.6° | 119.9° |
| C11 | C13 | C15 | 112.7° | 109.4° |
| C13 | C11 | H24 | 109.6° | 109.5° |
| C13 | C11 | H23 | 109.6° | 109.5° |
| C11 | C13 | H25 | 108.7° | 109.5° |
| C11 | C13 | H26 | 108.7° | 109.5° |
| C13 | C15 | C16 | 114.5° | 109.4° |
| C15 | C13 | H25 | 108.6° | 109.5° |
| C15 | C13 | H26 | 108.7° | 109.5° |
| C13 | C15 | H27 | 108.2° | 109.5° |
| C13 | C15 | H28 | 108.2° | 109.5° |
| C15 | C16 | O17 | 123.0° | 120.0° |
| C15 | C16 | O18 | 119.6° | 120.0° |
| C16 | C15 | H27 | 108.2° | 109.5° |
| C16 | C15 | H28 | 108.2° | 109.5° |
| O17 | C16 | O18 | 117.2° | 120.0° |
| C16 | O18 | H1 | 109.5° | 117.0° |
| H24 | C11 | H23 | 109.5° | 109.4° |
| H25 | C13 | H26 | 109.4° | 109.5° |
| H27 | C15 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | N03 | N04 | 179.8° | 179.8° |
| C01 | C02 | C05 | C06 | 179.0° | 179.7° |
| C02 | C01 | N03 | C07 | 176.0° | 180.0° |
| C02 | C01 | N04 | O08 | 177.5° | 179.8° |
| C01 | C02 | C05 | C09 | 176.9° | 180.0° |
| C01 | C02 | C06 | C10 | 177.8° | 180.0° |
| C01 | C02 | C05 | H19 | 3.1° | 0.0° |
| C01 | C02 | C06 | H20 | 2.2° | 0.1° |
| N03 | C01 | C02 | C05 | 17.2° | 179.9° |
| N03 | C01 | C02 | C06 | 163.8° | 0.3° |
| N03 | C01 | N04 | O08 | 2.7° | 0.4° |
| C01 | N03 | C07 | O08 | 3.6° | 0.0° |
| C01 | N03 | C07 | C11 | 178.5° | 180.0° |
| N04 | C01 | C02 | C05 | 162.6° | 0.3° |
| N04 | C01 | C02 | C06 | 16.5° | 179.4° |
| N04 | C01 | N03 | C07 | 4.1° | 0.2° |
| C01 | N04 | O08 | C07 | 0.3° | 0.4° |
| C02 | C05 | C09 | H19 | 180.0° | 179.9° |
| C05 | C02 | C06 | C10 | 1.2° | 0.3° |
| C02 | C05 | C09 | C12 | 2.5° | 0.0° |
| C05 | C02 | C06 | H20 | 178.7° | 179.8° |
| C02 | C05 | C09 | H21 | 177.5° | 180.0° |
| C06 | C02 | C05 | C09 | 2.2° | 0.2° |
| C02 | C06 | C10 | H20 | 180.0° | 179.9° |
| C02 | C06 | C10 | C12 | 0.7° | 0.1° |
| C06 | C02 | C05 | H19 | 177.8° | 179.7° |
| C02 | C06 | C10 | H22 | 179.3° | 180.0° |
| N03 | C07 | O08 | N04 | 2.2° | 0.3° |
| N03 | C07 | O08 | C11 | 174.6° | 180.0° |
| N03 | C07 | C11 | C13 | 119.2° | 90.0° |
| N03 | C07 | C11 | H24 | 0.8° | 149.9° |
| N03 | C07 | C11 | H23 | 120.9° | 30.0° |
| N04 | O08 | C07 | C11 | 176.8° | 179.7° |
| O08 | C07 | C11 | C13 | 54.6° | 90.0° |
| O08 | C07 | C11 | H24 | 174.5° | 30.1° |
| O08 | C07 | C11 | H23 | 65.4° | 150.0° |
| C05 | C09 | C12 | H21 | 180.0° | 180.0° |
| C05 | C09 | C12 | C10 | 2.0° | 0.2° |
| C05 | C09 | C12 | CL14 | 176.9° | 180.0° |
| C06 | C10 | C12 | C09 | 1.0° | 0.2° |
| C06 | C10 | C12 | H22 | 180.0° | 180.0° |
| C06 | C10 | C12 | CL14 | 177.8° | 180.0° |
| C07 | C11 | C13 | H24 | 119.9° | 120.0° |
| C07 | C11 | C13 | H23 | 119.9° | 120.0° |
| C07 | C11 | C13 | C15 | 67.9° | 180.0° |
| C07 | C11 | H24 | H23 | 120.2° | 119.9° |
| C07 | C11 | C13 | H25 | 171.6° | 60.0° |
| C07 | C11 | C13 | H26 | 52.6° | 60.0° |
| C09 | C12 | C10 | CL14 | 178.8° | 179.8° |
| C12 | C09 | C05 | H19 | 177.5° | 180.0° |
| C09 | C12 | C10 | H22 | 178.9° | 179.8° |
| C12 | C10 | C06 | H20 | 179.3° | 180.0° |
| C10 | C12 | C09 | H21 | 178.0° | 179.8° |
| C11 | C13 | C15 | H25 | 120.5° | 120.0° |
| C11 | C13 | C15 | H26 | 120.5° | 120.0° |
| C11 | C13 | C15 | C16 | 84.2° | 180.0° |
| C13 | C11 | H24 | H23 | 120.2° | 120.0° |
| C11 | C13 | H25 | H26 | 118.5° | 120.0° |
| C11 | C13 | C15 | H27 | 155.0° | 60.0° |
| C11 | C13 | C15 | H28 | 36.5° | 60.0° |
| CL14 | C12 | C10 | H22 | 2.2° | 0.0° |
| CL14 | C12 | C09 | H21 | 3.1° | 0.0° |
| C13 | C15 | C16 | H27 | 120.7° | 120.0° |
| C13 | C15 | C16 | H28 | 120.7° | 120.0° |
| C13 | C15 | C16 | O17 | 178.2° | 0.0° |
| C13 | C15 | C16 | O18 | 6.4° | 180.0° |
| C15 | C13 | C11 | H24 | 52.0° | 60.0° |
| C15 | C13 | C11 | H23 | 172.2° | 60.0° |
| C15 | C13 | H25 | H26 | 118.5° | 120.0° |
| C13 | C15 | H27 | H28 | 117.8° | 120.0° |
| C15 | C16 | O17 | O18 | 175.5° | 179.9° |
| C16 | C15 | C13 | H25 | 36.3° | 60.0° |
| C16 | C15 | C13 | H26 | 155.3° | 60.0° |
| C16 | C15 | H27 | H28 | 117.7° | 120.0° |
| C15 | C16 | O18 | H1 | 175.6° | 180.0° |
| O17 | C16 | C15 | H27 | 57.5° | 120.0° |
| O17 | C16 | C15 | H28 | 61.1° | 120.0° |
| O17 | C16 | O18 | H1 | 0.0° | 0.1° |
| O18 | C16 | C15 | H27 | 127.1° | 60.1° |
| O18 | C16 | C15 | H28 | 114.4° | 60.0° |
| H19 | C05 | C09 | H21 | 2.5° | 0.1° |
| H20 | C06 | C10 | H22 | 0.7° | 0.0° |
| H24 | C11 | C13 | H25 | 68.5° | 180.0° |
| H24 | C11 | C13 | H26 | 172.5° | 60.0° |
| H23 | C11 | C13 | H25 | 51.7° | 60.0° |
| H23 | C11 | C13 | H26 | 67.3° | 180.0° |
| H25 | C13 | C15 | H27 | 84.5° | 180.0° |
| H25 | C13 | C15 | H28 | 157.0° | 60.0° |
| H26 | C13 | C15 | H27 | 34.5° | 60.0° |
| H26 | C13 | C15 | H28 | 84.0° | 180.0° |
