WLN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C03 | doub | 1.33Å | 1.31Å | |
| C02 | C03 | sing | 1.40Å | 1.46Å | |
| C02 | C05 | doub | 1.37Å | 1.45Å | |
| N04 | C05 | sing | 1.37Å | 1.42Å | |
| N01 | C06 | sing | 1.33Å | 1.40Å | |
| N04 | C06 | sing | 1.35Å | 1.38Å | |
| C03 | N07 | sing | 1.38Å | 1.42Å | |
| C02 | C08 | sing | 1.51Å | 1.52Å | |
| C06 | O09 | doub | 1.22Å | 1.22Å | |
| C05 | O10 | sing | 1.35Å | 1.31Å | |
| C08 | C11 | sing | 1.51Å | 1.54Å | |
| N04 | C13 | sing | 1.46Å | 1.46Å | |
| C11 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.36Å | Aromatic |
| C15 | CL16 | sing | 1.74Å | 1.73Å | |
| N07 | C17 | sing | 1.47Å | 1.44Å | |
| N07 | C18 | sing | 1.47Å | 1.46Å | |
| O12 | C20 | sing | 1.43Å | 1.41Å | |
| C17 | C20 | sing | 1.53Å | 1.52Å | |
| O12 | C21 | sing | 1.43Å | 1.41Å | |
| C18 | C21 | sing | 1.53Å | 1.52Å | |
| C11 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | H28 | sing | 1.09Å | 1.10Å | |
| C13 | H27 | sing | 1.09Å | 1.10Å | |
| C13 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H32 | sing | 1.09Å | 1.10Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H34 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H35 | sing | 1.08Å | 1.08Å | |
| C20 | H37 | sing | 1.09Å | 1.10Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| C21 | H39 | sing | 1.09Å | 1.10Å | |
| C21 | H38 | sing | 1.09Å | 1.10Å | |
| C22 | H40 | sing | 1.08Å | 1.08Å | |
| C23 | H41 | sing | 1.08Å | 1.08Å | |
| C08 | H24 | sing | 1.09Å | 1.10Å | |
| C08 | H25 | sing | 1.09Å | 1.10Å | |
| O10 | H26 | sing | 0.97Å | 0.95Å | |
| C14 | H30 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C03 | C02 | 123.7° | 119.8° |
| C03 | N01 | C06 | 120.4° | 120.9° |
| N01 | C03 | N07 | 119.9° | 120.1° |
| C03 | C02 | C05 | 116.0° | 118.9° |
| C02 | C03 | N07 | 116.3° | 120.1° |
| C03 | C02 | C08 | 122.6° | 120.6° |
| C02 | C05 | N04 | 118.0° | 119.1° |
| C05 | C02 | C08 | 121.4° | 120.5° |
| C02 | C05 | O10 | 120.6° | 120.5° |
| C05 | N04 | C06 | 121.7° | 120.2° |
| N04 | C05 | O10 | 121.4° | 120.4° |
| C05 | N04 | C13 | 116.8° | 119.9° |
| N01 | C06 | N04 | 120.1° | 121.2° |
| N01 | C06 | O09 | 122.4° | 119.4° |
| N04 | C06 | O09 | 117.4° | 119.4° |
| C06 | N04 | C13 | 121.5° | 119.9° |
| C03 | N07 | C17 | 113.9° | 121.0° |
| C03 | N07 | C18 | 112.6° | 121.0° |
| C02 | C08 | C11 | 112.8° | 109.5° |
| C02 | C08 | H24 | 108.6° | 109.4° |
| C02 | C08 | H25 | 108.6° | 109.5° |
| C05 | O10 | H26 | 109.5° | 114.0° |
| C08 | C11 | C14 | 115.3° | 119.9° |
| C08 | C11 | C22 | 122.9° | 120.0° |
| C11 | C08 | H24 | 108.6° | 109.5° |
| C11 | C08 | H25 | 108.7° | 109.5° |
| N04 | C13 | H28 | 109.5° | 109.5° |
| N04 | C13 | H27 | 109.5° | 109.4° |
| N04 | C13 | H29 | 109.5° | 109.5° |
| C11 | C14 | C15 | 119.3° | 119.9° |
| C14 | C11 | C22 | 121.8° | 120.1° |
| C11 | C14 | H30 | 120.4° | 120.1° |
| C14 | C15 | CL16 | 114.6° | 120.0° |
| C14 | C15 | C23 | 119.7° | 120.0° |
| C15 | C14 | H30 | 120.4° | 120.0° |
| CL16 | C15 | C23 | 125.6° | 120.0° |
| C17 | N07 | C18 | 109.7° | 118.0° |
| N07 | C17 | C20 | 108.2° | 108.4° |
| N07 | C17 | H32 | 109.8° | 109.7° |
| N07 | C17 | H31 | 109.8° | 109.7° |
| N07 | C18 | C21 | 107.8° | 108.4° |
| N07 | C18 | H34 | 109.9° | 109.7° |
| N07 | C18 | H33 | 109.9° | 109.7° |
| O12 | C20 | C17 | 110.3° | 109.2° |
| C20 | O12 | C21 | 109.4° | 114.2° |
| O12 | C20 | H37 | 109.3° | 109.4° |
| O12 | C20 | H36 | 109.3° | 109.5° |
| C20 | C17 | H32 | 109.8° | 109.7° |
| C20 | C17 | H31 | 109.8° | 109.7° |
| C17 | C20 | H37 | 109.3° | 109.5° |
| C17 | C20 | H36 | 109.2° | 109.6° |
| O12 | C21 | C18 | 110.5° | 109.2° |
| O12 | C21 | H39 | 109.2° | 109.5° |
| O12 | C21 | H38 | 109.2° | 109.5° |
| C21 | C18 | H34 | 109.9° | 109.7° |
| C21 | C18 | H33 | 109.9° | 109.7° |
| C18 | C21 | H39 | 109.2° | 109.5° |
| C18 | C21 | H38 | 109.2° | 109.5° |
| C11 | C22 | C19 | 119.1° | 120.0° |
| C11 | C22 | H40 | 120.5° | 120.0° |
| C22 | C19 | C23 | 119.1° | 120.0° |
| C22 | C19 | H35 | 120.5° | 120.0° |
| C19 | C22 | H40 | 120.4° | 120.0° |
| C15 | C23 | C19 | 120.9° | 120.0° |
| C15 | C23 | H41 | 119.5° | 120.0° |
| C23 | C19 | H35 | 120.4° | 120.0° |
| C19 | C23 | H41 | 119.5° | 120.0° |
| H28 | C13 | H27 | 109.5° | 109.5° |
| H28 | C13 | H29 | 109.5° | 109.5° |
| H27 | C13 | H29 | 109.5° | 109.5° |
| H32 | C17 | H31 | 109.5° | 109.6° |
| H34 | C18 | H33 | 109.5° | 109.7° |
| H37 | C20 | H36 | 109.5° | 109.5° |
| H39 | C21 | H38 | 109.4° | 109.6° |
| H24 | C08 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C03 | C02 | N07 | 177.7° | 180.0° |
| N01 | C03 | C02 | C05 | 0.0° | 0.0° |
| C03 | N01 | C06 | N04 | 3.8° | 0.0° |
| N01 | C03 | C02 | C08 | 177.6° | 179.7° |
| C03 | N01 | C06 | O09 | 175.9° | 180.0° |
| N01 | C03 | N07 | C17 | 32.0° | 153.8° |
| N01 | C03 | N07 | C18 | 93.6° | 26.2° |
| C03 | C02 | C05 | C08 | 177.7° | 179.7° |
| C03 | C02 | C05 | N04 | 0.7° | 0.0° |
| C02 | C03 | N01 | C06 | 2.3° | 0.0° |
| C03 | C02 | C05 | O10 | 179.5° | 180.0° |
| C03 | C02 | C08 | C11 | 91.7° | 150.9° |
| C02 | C03 | N07 | C17 | 150.2° | 26.2° |
| C02 | C03 | N07 | C18 | 84.2° | 153.8° |
| C03 | C02 | C08 | H24 | 147.8° | 89.1° |
| C03 | C02 | C08 | H25 | 28.8° | 30.9° |
| C02 | C05 | N04 | O10 | 178.8° | 180.0° |
| C02 | C05 | N04 | C06 | 0.8° | 0.0° |
| C05 | C02 | C03 | N07 | 177.7° | 180.0° |
| C05 | C02 | C08 | C11 | 85.8° | 28.8° |
| C02 | C05 | N04 | C13 | 178.5° | 180.0° |
| C05 | C02 | C08 | H24 | 34.6° | 91.2° |
| C05 | C02 | C08 | H25 | 153.6° | 148.8° |
| C02 | C05 | O10 | H26 | 180.0° | 180.0° |
| C05 | N04 | C06 | N01 | 3.0° | 0.0° |
| C05 | N04 | C06 | C13 | 177.6° | 180.0° |
| N04 | C05 | C02 | C08 | 178.4° | 179.7° |
| C05 | N04 | C06 | O09 | 176.6° | 180.0° |
| C05 | N04 | C13 | H28 | 180.0° | 90.0° |
| C05 | N04 | C13 | H27 | 60.0° | 150.0° |
| C05 | N04 | C13 | H29 | 60.0° | 30.0° |
| N04 | C05 | O10 | H26 | 1.3° | 0.0° |
| N01 | C06 | N04 | O09 | 179.7° | 179.9° |
| C06 | N01 | C03 | N07 | 175.3° | 180.0° |
| N01 | C06 | N04 | C13 | 179.4° | 180.0° |
| C06 | N04 | C05 | O10 | 178.0° | 180.0° |
| C06 | N04 | C13 | H28 | 2.3° | 90.0° |
| C06 | N04 | C13 | H27 | 117.7° | 30.0° |
| C06 | N04 | C13 | H29 | 122.3° | 150.0° |
| N07 | C03 | C02 | C08 | 4.7° | 0.3° |
| C03 | N07 | C17 | C18 | 127.2° | 180.0° |
| C03 | N07 | C17 | C20 | 173.2° | 129.5° |
| C03 | N07 | C18 | C21 | 172.8° | 129.5° |
| C03 | N07 | C17 | H32 | 67.0° | 9.7° |
| C03 | N07 | C17 | H31 | 53.4° | 110.8° |
| C03 | N07 | C18 | H34 | 53.1° | 110.8° |
| C03 | N07 | C18 | H33 | 67.5° | 9.7° |
| C08 | C02 | C05 | O10 | 2.8° | 0.3° |
| C02 | C08 | C11 | H24 | 120.5° | 120.0° |
| C02 | C08 | C11 | H25 | 120.5° | 120.0° |
| C02 | C08 | C11 | C14 | 100.5° | 98.4° |
| C02 | C08 | C11 | C22 | 79.5° | 81.8° |
| C02 | C08 | H24 | H25 | 118.5° | 120.0° |
| O09 | C06 | N04 | C13 | 1.0° | 0.0° |
| O10 | C05 | N04 | C13 | 0.3° | 0.0° |
| C08 | C11 | C14 | C22 | 180.0° | 179.8° |
| C08 | C11 | C14 | C15 | 178.2° | 179.7° |
| C08 | C11 | C22 | C19 | 176.9° | 179.7° |
| C08 | C11 | C22 | H40 | 3.1° | 0.3° |
| C11 | C08 | H24 | H25 | 118.5° | 120.0° |
| C08 | C11 | C14 | H30 | 1.8° | 0.2° |
| N04 | C13 | H28 | H27 | 120.0° | 119.9° |
| N04 | C13 | H28 | H29 | 120.0° | 120.0° |
| N04 | C13 | H27 | H29 | 120.0° | 120.0° |
| C11 | C14 | C15 | H30 | 180.0° | 179.9° |
| C11 | C14 | C15 | CL16 | 178.7° | 179.9° |
| C14 | C11 | C22 | C19 | 3.1° | 0.0° |
| C11 | C14 | C15 | C23 | 1.0° | 0.1° |
| C14 | C11 | C22 | H40 | 176.9° | 180.0° |
| C14 | C11 | C08 | H24 | 139.0° | 21.5° |
| C14 | C11 | C08 | H25 | 20.0° | 141.6° |
| C14 | C15 | CL16 | C23 | 177.5° | 180.0° |
| C15 | C14 | C11 | C22 | 1.7° | 0.1° |
| C14 | C15 | C23 | C19 | 2.4° | 0.0° |
| C14 | C15 | C23 | H41 | 177.7° | 179.9° |
| CL16 | C15 | C23 | C19 | 179.8° | 180.0° |
| CL16 | C15 | C23 | H41 | 0.3° | 0.1° |
| CL16 | C15 | C14 | H30 | 1.4° | 0.0° |
| N07 | C17 | C20 | O12 | 60.5° | 52.3° |
| N07 | C17 | C20 | H32 | 119.8° | 119.8° |
| N07 | C17 | C20 | H31 | 119.8° | 119.8° |
| C17 | N07 | C18 | C21 | 59.3° | 50.5° |
| N07 | C17 | H32 | H31 | 120.6° | 120.5° |
| C17 | N07 | C18 | H34 | 179.0° | 69.1° |
| C17 | N07 | C18 | H33 | 60.4° | 170.3° |
| N07 | C17 | C20 | H37 | 59.6° | 67.6° |
| N07 | C17 | C20 | H36 | 179.3° | 172.2° |
| C18 | N07 | C17 | C20 | 59.6° | 50.6° |
| N07 | C18 | C21 | O12 | 59.9° | 52.3° |
| N07 | C18 | C21 | H34 | 119.7° | 119.7° |
| N07 | C18 | C21 | H33 | 119.7° | 119.8° |
| C18 | N07 | C17 | H32 | 60.2° | 170.3° |
| C18 | N07 | C17 | H31 | 179.4° | 69.2° |
| N07 | C18 | H34 | H33 | 120.8° | 120.6° |
| N07 | C18 | C21 | H39 | 179.9° | 172.2° |
| N07 | C18 | C21 | H38 | 60.3° | 67.6° |
| O12 | C20 | C17 | H37 | 120.1° | 119.9° |
| O12 | C20 | C17 | H36 | 120.1° | 120.0° |
| C20 | O12 | C21 | C18 | 61.4° | 62.5° |
| O12 | C20 | C17 | H32 | 59.3° | 172.0° |
| O12 | C20 | C17 | H31 | 179.7° | 67.5° |
| O12 | C20 | H37 | H36 | 119.6° | 120.1° |
| C20 | O12 | C21 | H39 | 178.4° | 177.5° |
| C20 | O12 | C21 | H38 | 58.8° | 57.4° |
| C17 | C20 | O12 | C21 | 61.3° | 62.5° |
| C20 | C17 | H32 | H31 | 120.6° | 120.5° |
| C17 | C20 | H37 | H36 | 119.6° | 120.2° |
| O12 | C21 | C18 | H39 | 120.2° | 119.9° |
| O12 | C21 | C18 | H38 | 120.2° | 119.9° |
| O12 | C21 | C18 | H34 | 179.7° | 67.4° |
| O12 | C21 | C18 | H33 | 59.8° | 172.0° |
| C21 | O12 | C20 | H37 | 58.8° | 57.4° |
| C21 | O12 | C20 | H36 | 178.6° | 177.5° |
| O12 | C21 | H39 | H38 | 119.5° | 120.1° |
| C21 | C18 | H34 | H33 | 120.8° | 120.6° |
| C18 | C21 | H39 | H38 | 119.5° | 120.1° |
| C11 | C22 | C19 | H40 | 180.0° | 180.0° |
| C11 | C22 | C19 | C23 | 1.7° | 0.0° |
| C11 | C22 | C19 | H35 | 178.3° | 180.0° |
| C22 | C11 | C08 | H24 | 41.0° | 158.2° |
| C22 | C11 | C08 | H25 | 160.0° | 38.2° |
| C22 | C11 | C14 | H30 | 178.2° | 180.0° |
| C22 | C19 | C23 | C15 | 1.0° | 0.0° |
| C22 | C19 | C23 | H35 | 180.0° | 180.0° |
| C22 | C19 | C23 | H41 | 179.0° | 180.0° |
| C15 | C23 | C19 | H41 | 180.0° | 179.9° |
| C15 | C23 | C19 | H35 | 179.0° | 180.0° |
| C23 | C15 | C14 | H30 | 179.0° | 180.0° |
| C23 | C19 | C22 | H40 | 178.3° | 180.0° |
| H28 | C13 | H27 | H29 | 120.0° | 120.0° |
| H32 | C17 | C20 | H37 | 179.4° | 52.2° |
| H32 | C17 | C20 | H36 | 60.8° | 68.0° |
| H31 | C17 | C20 | H37 | 60.2° | 172.6° |
| H31 | C17 | C20 | H36 | 59.5° | 52.5° |
| H34 | C18 | C21 | H39 | 60.2° | 52.5° |
| H34 | C18 | C21 | H38 | 59.5° | 172.7° |
| H33 | C18 | C21 | H39 | 60.4° | 68.0° |
| H33 | C18 | C21 | H38 | 180.0° | 52.2° |
| H35 | C19 | C22 | H40 | 1.7° | 0.0° |
| H35 | C19 | C23 | H41 | 1.0° | 0.1° |
