WL0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | sing | 1.40Å | 1.37Å | |
| N01 | C03 | sing | 1.35Å | 1.49Å | |
| N01 | N04 | sing | 1.38Å | 1.50Å | |
| C02 | C05 | doub | 1.39Å | 1.33Å | Aromatic |
| C02 | C06 | sing | 1.39Å | 1.38Å | Aromatic |
| C03 | S07 | sing | 1.77Å | 1.61Å | |
| C03 | S08 | doub | 1.71Å | 1.65Å | |
| N04 | C09 | doub | 1.30Å | 1.46Å | |
| S07 | C09 | sing | 1.77Å | 1.49Å | |
| C05 | C10 | sing | 1.38Å | 1.36Å | Aromatic |
| C06 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C09 | S12 | sing | 1.76Å | 1.62Å | |
| C10 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| C11 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| S12 | C14 | sing | 1.81Å | 1.72Å | |
| C14 | C15 | sing | 1.53Å | 1.57Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | S17 | sing | 1.81Å | 1.79Å | |
| S17 | O18 | doub | 1.42Å | 1.43Å | |
| S17 | O19 | doub | 1.42Å | 1.44Å | |
| S17 | O20 | sing | 1.52Å | 1.47Å | |
| C05 | H21 | sing | 1.08Å | 1.08Å | |
| C06 | H22 | sing | 1.08Å | 1.08Å | |
| C10 | H23 | sing | 1.08Å | 1.08Å | |
| C11 | H24 | sing | 1.08Å | 1.08Å | |
| C13 | H25 | sing | 1.08Å | 1.08Å | |
| C15 | H29 | sing | 1.09Å | 1.10Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| O20 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | N01 | C03 | 134.3° | 121.6° |
| C02 | N01 | N04 | 113.0° | 121.6° |
| N01 | C02 | C05 | 116.0° | 120.1° |
| N01 | C02 | C06 | 121.3° | 120.1° |
| C03 | N01 | N04 | 112.7° | 116.8° |
| N01 | C03 | S07 | 107.6° | 104.7° |
| N01 | C03 | S08 | 122.4° | 127.7° |
| N01 | N04 | C09 | 100.5° | 118.5° |
| C05 | C02 | C06 | 122.5° | 119.8° |
| C02 | C05 | C10 | 120.0° | 119.9° |
| C02 | C05 | H21 | 120.0° | 120.0° |
| C02 | C06 | C11 | 118.0° | 119.9° |
| C02 | C06 | H22 | 121.0° | 120.0° |
| S07 | C03 | S08 | 130.0° | 127.7° |
| C03 | S07 | C09 | 98.1° | 94.4° |
| N04 | C09 | S07 | 121.0° | 105.7° |
| N04 | C09 | S12 | 107.0° | 127.1° |
| S07 | C09 | S12 | 132.0° | 127.1° |
| C05 | C10 | C13 | 119.5° | 120.1° |
| C10 | C05 | H21 | 120.0° | 120.0° |
| C05 | C10 | H23 | 120.3° | 120.0° |
| C06 | C11 | C13 | 119.0° | 120.1° |
| C11 | C06 | H22 | 121.0° | 120.1° |
| C06 | C11 | H24 | 120.5° | 119.9° |
| C09 | S12 | C14 | 133.5° | 100.0° |
| C10 | C13 | C11 | 120.7° | 120.1° |
| C13 | C10 | H23 | 120.3° | 120.0° |
| C10 | C13 | H25 | 119.7° | 119.9° |
| C13 | C11 | H24 | 120.5° | 120.0° |
| C11 | C13 | H25 | 119.7° | 120.0° |
| S12 | C14 | C15 | 114.9° | 109.5° |
| S12 | C14 | H26 | 108.1° | 109.4° |
| S12 | C14 | H27 | 108.1° | 109.5° |
| C14 | C15 | C16 | 121.4° | 109.5° |
| C14 | C15 | H29 | 106.4° | 109.5° |
| C14 | C15 | H28 | 106.4° | 109.5° |
| C15 | C14 | H26 | 108.1° | 109.4° |
| C15 | C14 | H27 | 108.1° | 109.5° |
| C15 | C16 | S17 | 116.8° | 109.5° |
| C16 | C15 | H29 | 106.4° | 109.4° |
| C16 | C15 | H28 | 106.4° | 109.5° |
| C15 | C16 | H30 | 107.6° | 109.5° |
| C15 | C16 | H31 | 107.6° | 109.5° |
| C16 | S17 | O18 | 92.4° | 110.5° |
| C16 | S17 | O19 | 109.4° | 110.6° |
| C16 | S17 | O20 | 111.6° | 104.4° |
| S17 | C16 | H30 | 107.6° | 109.5° |
| S17 | C16 | H31 | 107.6° | 109.5° |
| O18 | S17 | O19 | 116.1° | 121.0° |
| O18 | S17 | O20 | 111.2° | 104.3° |
| O19 | S17 | O20 | 114.1° | 104.3° |
| S17 | O20 | H32 | 109.5° | 113.9° |
| H29 | C15 | H28 | 109.4° | 109.4° |
| H30 | C16 | H31 | 109.5° | 109.5° |
| H26 | C14 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | N01 | C03 | N04 | 177.3° | 179.7° |
| N01 | C02 | C05 | C06 | 174.6° | 179.8° |
| C02 | N01 | C03 | S07 | 178.1° | 180.0° |
| C02 | N01 | C03 | S08 | 1.0° | 0.1° |
| C02 | N01 | N04 | C09 | 179.6° | 180.0° |
| N01 | C02 | C05 | C10 | 178.3° | 179.7° |
| N01 | C02 | C06 | C11 | 179.0° | 179.8° |
| N01 | C02 | C05 | H21 | 1.7° | 0.3° |
| N01 | C02 | C06 | H22 | 1.0° | 0.2° |
| C03 | N01 | C02 | C05 | 55.4° | 131.6° |
| C03 | N01 | C02 | C06 | 130.0° | 48.6° |
| N01 | C03 | S07 | S08 | 179.0° | 179.9° |
| C03 | N01 | N04 | C09 | 1.7° | 0.3° |
| N01 | C03 | S07 | C09 | 0.5° | 0.2° |
| N04 | N01 | C02 | C05 | 127.4° | 48.7° |
| N04 | N01 | C02 | C06 | 47.3° | 131.0° |
| N04 | N01 | C03 | S07 | 0.8° | 0.3° |
| N04 | N01 | C03 | S08 | 178.3° | 179.8° |
| N01 | N04 | C09 | S07 | 2.3° | 0.1° |
| N01 | N04 | C09 | S12 | 179.8° | 180.0° |
| C02 | C05 | C10 | H21 | 180.0° | 180.0° |
| C05 | C02 | C06 | C11 | 6.7° | 0.0° |
| C02 | C05 | C10 | C13 | 3.5° | 0.1° |
| C05 | C02 | C06 | H22 | 173.3° | 180.0° |
| C02 | C05 | C10 | H23 | 176.5° | 180.0° |
| C06 | C02 | C05 | C10 | 7.1° | 0.0° |
| C02 | C06 | C11 | H22 | 180.0° | 180.0° |
| C02 | C06 | C11 | C13 | 2.6° | 0.0° |
| C06 | C02 | C05 | H21 | 172.9° | 180.0° |
| C02 | C06 | C11 | H24 | 177.4° | 179.9° |
| C03 | S07 | C09 | N04 | 1.8° | 0.1° |
| C03 | S07 | C09 | S12 | 179.2° | 179.8° |
| S08 | C03 | S07 | C09 | 179.5° | 179.9° |
| N04 | C09 | S07 | S12 | 177.4° | 179.9° |
| N04 | C09 | S12 | C14 | 13.5° | 0.0° |
| S07 | C09 | S12 | C14 | 168.8° | 179.8° |
| C05 | C10 | C13 | H23 | 180.0° | 180.0° |
| C05 | C10 | C13 | C11 | 0.4° | 0.1° |
| C05 | C10 | C13 | H25 | 179.6° | 180.0° |
| C06 | C11 | C13 | C10 | 0.7° | 0.0° |
| C06 | C11 | C13 | H24 | 180.0° | 180.0° |
| C06 | C11 | C13 | H25 | 179.2° | 180.0° |
| C09 | S12 | C14 | C15 | 13.3° | 180.0° |
| C09 | S12 | C14 | H26 | 107.5° | 60.0° |
| C09 | S12 | C14 | H27 | 134.1° | 60.0° |
| C10 | C13 | C11 | H25 | 180.0° | 180.0° |
| C13 | C10 | C05 | H21 | 176.5° | 179.9° |
| C10 | C13 | C11 | H24 | 179.3° | 179.9° |
| C13 | C11 | C06 | H22 | 177.4° | 180.0° |
| C11 | C13 | C10 | H23 | 179.6° | 180.0° |
| S12 | C14 | C15 | H26 | 120.8° | 119.9° |
| S12 | C14 | C15 | H27 | 120.8° | 120.0° |
| S12 | C14 | C15 | C16 | 143.8° | 180.0° |
| S12 | C14 | C15 | H29 | 94.6° | 60.0° |
| S12 | C14 | C15 | H28 | 22.1° | 59.9° |
| S12 | C14 | H26 | H27 | 117.5° | 120.0° |
| C14 | C15 | C16 | H29 | 121.7° | 120.0° |
| C14 | C15 | C16 | H28 | 121.7° | 120.0° |
| C14 | C15 | C16 | S17 | 177.5° | 180.0° |
| C14 | C15 | H29 | H28 | 114.6° | 120.0° |
| C14 | C15 | C16 | H30 | 61.5° | 60.0° |
| C14 | C15 | C16 | H31 | 56.4° | 60.0° |
| C15 | C14 | H26 | H27 | 117.5° | 120.0° |
| C15 | C16 | S17 | H30 | 121.1° | 120.0° |
| C15 | C16 | S17 | H31 | 121.0° | 120.0° |
| C15 | C16 | S17 | O18 | 63.3° | 68.4° |
| C15 | C16 | S17 | O19 | 55.5° | 68.4° |
| C15 | C16 | S17 | O20 | 177.2° | 180.0° |
| C16 | C15 | H29 | H28 | 114.6° | 120.0° |
| C15 | C16 | H30 | H31 | 116.7° | 120.0° |
| C16 | C15 | C14 | H26 | 22.9° | 60.0° |
| C16 | C15 | C14 | H27 | 95.5° | 60.0° |
| C16 | S17 | O18 | O19 | 113.0° | 131.5° |
| C16 | S17 | O18 | O20 | 114.3° | 111.7° |
| C16 | S17 | O19 | O20 | 125.9° | 111.7° |
| S17 | C16 | C15 | H29 | 55.8° | 60.0° |
| S17 | C16 | C15 | H28 | 60.8° | 60.0° |
| S17 | C16 | H30 | H31 | 116.7° | 120.0° |
| C16 | S17 | O20 | H32 | 101.7° | 180.0° |
| O18 | S17 | O19 | O20 | 131.3° | 116.7° |
| O18 | S17 | C16 | H30 | 175.7° | 171.6° |
| O18 | S17 | C16 | H31 | 57.8° | 51.6° |
| O18 | S17 | O20 | H32 | 0.0° | 63.9° |
| O19 | S17 | C16 | H30 | 65.6° | 51.6° |
| O19 | S17 | C16 | H31 | 176.5° | 171.6° |
| O19 | S17 | O20 | H32 | 133.6° | 63.9° |
| O20 | S17 | C16 | H30 | 61.7° | 60.0° |
| O20 | S17 | C16 | H31 | 56.2° | 60.0° |
| H21 | C05 | C10 | H23 | 3.5° | 0.0° |
| H22 | C06 | C11 | H24 | 2.6° | 0.0° |
| H23 | C10 | C13 | H25 | 0.4° | 0.0° |
| H24 | C11 | C13 | H25 | 0.8° | 0.0° |
| H29 | C15 | C16 | H30 | 176.9° | 60.0° |
| H29 | C15 | C16 | H31 | 65.2° | 180.0° |
| H29 | C15 | C14 | H26 | 144.6° | 180.0° |
| H29 | C15 | C14 | H27 | 26.2° | 60.0° |
| H28 | C15 | C16 | H30 | 60.2° | 180.0° |
| H28 | C15 | C16 | H31 | 178.1° | 60.0° |
| H28 | C15 | C14 | H26 | 98.7° | 60.0° |
| H28 | C15 | C14 | H27 | 142.8° | 180.0° |
