WOW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.51Å | 1.49Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C01 | H01A | sing | 1.09Å | 1.10Å | |
| C01 | H01B | sing | 1.09Å | 1.10Å | |
| C07 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| C05 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | H04 | sing | 1.08Å | 1.08Å | |
| C06 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| C06 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | H06 | sing | 1.08Å | 1.08Å | |
| C08 | C07 | sing | 1.51Å | 1.49Å | |
| N09 | C08 | sing | 1.46Å | 1.42Å | |
| C08 | H08 | sing | 1.09Å | 1.10Å | |
| C08 | H08A | sing | 1.09Å | 1.10Å | |
| C19 | N09 | sing | 1.39Å | 1.41Å | |
| C10 | N09 | sing | 1.46Å | 1.42Å | |
| C11 | C10 | sing | 1.55Å | 1.49Å | |
| C10 | C14 | sing | 1.54Å | 1.48Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.55Å | 1.54Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | N13 | sing | 1.47Å | 1.45Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C14 | N13 | sing | 1.47Å | 1.46Å | |
| N13 | S15 | sing | 1.66Å | 1.61Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| S15 | C16 | sing | 1.81Å | 1.75Å | |
| S15 | O17 | doub | 1.42Å | 1.40Å | |
| S15 | O18 | doub | 1.42Å | 1.41Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C27 | C19 | doub | 1.39Å | 1.37Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | C22 | sing | 1.43Å | 1.48Å | |
| C25 | C22 | doub | 1.40Å | 1.38Å | Aromatic |
| N24 | C23 | trip | 1.14Å | 1.13Å | |
| CL26 | C25 | sing | 1.74Å | 1.68Å | |
| C25 | C27 | sing | 1.38Å | 1.37Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | H01 | 109.5° | 109.5° |
| C02 | C01 | H01A | 109.4° | 109.4° |
| C02 | C01 | H01B | 109.5° | 109.5° |
| C01 | C02 | C07 | 119.1° | 120.0° |
| C01 | C02 | C03 | 120.6° | 120.0° |
| H01 | C01 | H01A | 109.5° | 109.4° |
| H01 | C01 | H01B | 109.4° | 109.5° |
| H01A | C01 | H01B | 109.5° | 109.5° |
| C07 | C02 | C03 | 120.2° | 120.0° |
| C02 | C07 | C06 | 120.2° | 120.0° |
| C02 | C07 | C08 | 118.7° | 120.0° |
| C02 | C03 | C04 | 119.9° | 120.0° |
| C02 | C03 | H03 | 120.0° | 120.0° |
| C04 | C03 | H03 | 120.0° | 120.0° |
| C03 | C04 | C05 | 119.7° | 120.0° |
| C03 | C04 | H04 | 120.2° | 120.0° |
| C05 | C04 | H04 | 120.2° | 120.0° |
| C04 | C05 | C06 | 120.2° | 120.0° |
| C04 | C05 | H05 | 119.9° | 120.0° |
| C06 | C05 | H05 | 119.9° | 120.0° |
| C05 | C06 | C07 | 119.7° | 120.0° |
| C05 | C06 | H06 | 120.2° | 120.0° |
| C07 | C06 | H06 | 120.1° | 120.0° |
| C06 | C07 | C08 | 121.0° | 120.0° |
| C07 | C08 | N09 | 118.8° | 109.4° |
| C07 | C08 | H08 | 106.5° | 109.5° |
| C07 | C08 | H08A | 106.5° | 109.5° |
| N09 | C08 | H08 | 106.5° | 109.5° |
| N09 | C08 | H08A | 106.5° | 109.5° |
| C08 | N09 | C19 | 120.0° | 120.0° |
| C08 | N09 | C10 | 120.5° | 120.0° |
| H08 | C08 | H08A | 112.2° | 109.4° |
| C19 | N09 | C10 | 119.1° | 119.9° |
| N09 | C19 | C27 | 116.3° | 119.9° |
| N09 | C19 | C20 | 123.6° | 119.9° |
| N09 | C10 | C11 | 117.9° | 110.8° |
| N09 | C10 | C14 | 114.8° | 110.8° |
| N09 | C10 | H10 | 97.5° | 110.6° |
| C11 | C10 | C14 | 103.7° | 103.0° |
| C11 | C10 | H10 | 110.0° | 110.8° |
| C10 | C11 | C12 | 105.8° | 101.6° |
| C10 | C11 | H11 | 110.7° | 111.0° |
| C10 | C11 | H11A | 110.7° | 111.0° |
| C14 | C10 | H10 | 113.4° | 110.7° |
| C10 | C14 | N13 | 106.5° | 107.3° |
| C10 | C14 | H14 | 110.5° | 109.9° |
| C10 | C14 | H14A | 110.5° | 109.9° |
| C12 | C11 | H11 | 110.7° | 111.0° |
| C12 | C11 | H11A | 110.7° | 111.0° |
| C11 | C12 | N13 | 106.2° | 104.8° |
| C11 | C12 | H12 | 110.6° | 110.4° |
| C11 | C12 | H12A | 110.6° | 110.3° |
| H11 | C11 | H11A | 108.2° | 111.0° |
| N13 | C12 | H12 | 110.6° | 110.4° |
| N13 | C12 | H12A | 110.6° | 110.4° |
| C12 | N13 | C14 | 107.5° | 108.7° |
| C12 | N13 | S15 | 107.1° | 125.7° |
| H12 | C12 | H12A | 108.3° | 110.5° |
| C14 | N13 | S15 | 143.7° | 125.6° |
| N13 | C14 | H14 | 110.5° | 109.9° |
| N13 | C14 | H14A | 110.5° | 109.9° |
| N13 | S15 | C16 | 112.3° | 104.5° |
| N13 | S15 | O17 | 106.4° | 104.3° |
| N13 | S15 | O18 | 109.0° | 104.3° |
| H14 | C14 | H14A | 108.4° | 110.0° |
| C16 | S15 | O17 | 110.8° | 110.6° |
| C16 | S15 | O18 | 110.3° | 110.5° |
| S15 | C16 | H16 | 109.5° | 109.5° |
| S15 | C16 | H16A | 109.5° | 109.5° |
| S15 | C16 | H16B | 109.4° | 109.5° |
| O17 | S15 | O18 | 107.9° | 121.0° |
| H16 | C16 | H16A | 109.5° | 109.4° |
| H16 | C16 | H16B | 109.5° | 109.4° |
| H16A | C16 | H16B | 109.5° | 109.5° |
| C27 | C19 | C20 | 120.0° | 120.2° |
| C19 | C27 | C25 | 118.0° | 120.0° |
| C19 | C27 | H27 | 121.0° | 120.0° |
| C19 | C20 | C21 | 121.3° | 120.1° |
| C19 | C20 | H20 | 119.3° | 120.0° |
| C21 | C20 | H20 | 119.4° | 119.9° |
| C20 | C21 | C22 | 118.2° | 119.9° |
| C20 | C21 | H21 | 120.9° | 120.0° |
| C22 | C21 | H21 | 120.9° | 120.0° |
| C21 | C22 | C23 | 123.8° | 120.1° |
| C21 | C22 | C25 | 118.7° | 119.8° |
| C23 | C22 | C25 | 117.5° | 120.2° |
| C22 | C23 | N24 | 177.4° | 179.9° |
| C22 | C25 | CL26 | 118.5° | 120.0° |
| C22 | C25 | C27 | 123.6° | 119.9° |
| CL26 | C25 | C27 | 117.6° | 120.0° |
| C25 | C27 | H27 | 121.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | H01 | H01A | 120.0° | 120.0° |
| C02 | C01 | H01 | H01B | 120.0° | 120.1° |
| C02 | C01 | H01A | H01B | 120.0° | 120.0° |
| C01 | C02 | C07 | C03 | 176.7° | 179.8° |
| C01 | C02 | C03 | C04 | 179.7° | 180.0° |
| C01 | C02 | C03 | H03 | 0.3° | 0.1° |
| C01 | C02 | C07 | C06 | 179.3° | 179.7° |
| C01 | C02 | C07 | C08 | 3.4° | 0.2° |
| H01 | C01 | H01A | H01B | 120.0° | 120.0° |
| H01 | C01 | C02 | C07 | 88.4° | 94.8° |
| H01 | C01 | C02 | C03 | 88.3° | 85.3° |
| H01A | C01 | C02 | C07 | 151.6° | 25.1° |
| H01A | C01 | C02 | C03 | 31.7° | 154.7° |
| H01B | C01 | C02 | C07 | 31.6° | 145.1° |
| H01B | C01 | C02 | C03 | 151.7° | 34.7° |
| C07 | C02 | C03 | C04 | 3.0° | 0.2° |
| C07 | C02 | C03 | H03 | 177.0° | 179.7° |
| C02 | C07 | C06 | C05 | 2.6° | 0.5° |
| C02 | C07 | C06 | C08 | 175.9° | 179.5° |
| C02 | C07 | C06 | H06 | 177.4° | 179.7° |
| C02 | C07 | C08 | N09 | 177.5° | 176.0° |
| C02 | C07 | C08 | H08 | 62.5° | 56.0° |
| C02 | C07 | C08 | H08A | 57.5° | 63.9° |
| C02 | C03 | C04 | H03 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 0.8° | 0.1° |
| C02 | C03 | C04 | H04 | 179.2° | 180.0° |
| C03 | C02 | C07 | C06 | 3.9° | 0.5° |
| C03 | C02 | C07 | C08 | 179.9° | 180.0° |
| C03 | C04 | C05 | H04 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.6° | 0.0° |
| C03 | C04 | C05 | H05 | 179.4° | 180.0° |
| H03 | C03 | C04 | C05 | 179.2° | 180.0° |
| H03 | C03 | C04 | H04 | 0.8° | 0.0° |
| C04 | C05 | C06 | H05 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.3° | 0.3° |
| C04 | C05 | C06 | H06 | 179.7° | 180.0° |
| H04 | C04 | C05 | C06 | 179.4° | 180.0° |
| H04 | C04 | C05 | H05 | 0.6° | 0.0° |
| C05 | C06 | C07 | H06 | 180.0° | 179.8° |
| C05 | C06 | C07 | C08 | 178.4° | 180.0° |
| H05 | C05 | C06 | C07 | 179.7° | 179.7° |
| H05 | C05 | C06 | H06 | 0.3° | 0.0° |
| C06 | C07 | C08 | N09 | 1.6° | 4.5° |
| C06 | C07 | C08 | H08 | 121.6° | 124.5° |
| C06 | C07 | C08 | H08A | 118.5° | 115.5° |
| H06 | C06 | C07 | C08 | 1.6° | 0.2° |
| C07 | C08 | N09 | H08 | 120.0° | 120.0° |
| C07 | C08 | N09 | H08A | 120.0° | 120.0° |
| C07 | C08 | H08 | H08A | 116.2° | 120.0° |
| C07 | C08 | N09 | C19 | 79.2° | 85.7° |
| C07 | C08 | N09 | C10 | 107.4° | 94.3° |
| N09 | C08 | H08 | H08A | 116.2° | 120.0° |
| C08 | N09 | C19 | C10 | 173.5° | 180.0° |
| C08 | N09 | C10 | C11 | 66.1° | 121.4° |
| C08 | N09 | C10 | C14 | 56.5° | 125.0° |
| C08 | N09 | C10 | H10 | 176.6° | 1.9° |
| C08 | N09 | C19 | C27 | 168.2° | 0.5° |
| C08 | N09 | C19 | C20 | 8.2° | 179.3° |
| H08 | C08 | N09 | C19 | 40.8° | 154.3° |
| H08 | C08 | N09 | C10 | 132.6° | 25.7° |
| H08A | C08 | N09 | C19 | 160.8° | 34.3° |
| H08A | C08 | N09 | C10 | 12.6° | 145.7° |
| C19 | N09 | C10 | C11 | 107.4° | 58.6° |
| C19 | N09 | C10 | C14 | 130.0° | 55.0° |
| C19 | N09 | C10 | H10 | 9.9° | 178.1° |
| N09 | C19 | C27 | C20 | 176.5° | 179.7° |
| N09 | C19 | C20 | C21 | 177.4° | 180.0° |
| N09 | C19 | C20 | H20 | 2.7° | 0.0° |
| N09 | C19 | C27 | C25 | 175.3° | 179.7° |
| N09 | C19 | C27 | H27 | 4.7° | 0.3° |
| N09 | C10 | C11 | C14 | 128.1° | 118.4° |
| N09 | C10 | C11 | H10 | 110.4° | 123.1° |
| N09 | C10 | C14 | H10 | 110.8° | 123.1° |
| N09 | C10 | C11 | C12 | 104.0° | 153.9° |
| N09 | C10 | C11 | H11 | 136.0° | 88.0° |
| N09 | C10 | C11 | H11A | 16.0° | 35.9° |
| N09 | C10 | C14 | N13 | 97.4° | 140.6° |
| N09 | C10 | C14 | H14 | 22.7° | 21.1° |
| N09 | C10 | C14 | H14A | 142.7° | 100.0° |
| C10 | N09 | C19 | C27 | 5.4° | 179.5° |
| C10 | N09 | C19 | C20 | 178.3° | 0.8° |
| C11 | C10 | C14 | H10 | 119.2° | 118.5° |
| C10 | C11 | C12 | H11 | 120.0° | 118.1° |
| C10 | C11 | C12 | H11A | 120.0° | 118.0° |
| C10 | C11 | H11 | H11A | 121.5° | 123.9° |
| C10 | C11 | C12 | N13 | 7.3° | 37.0° |
| C10 | C11 | C12 | H12 | 127.3° | 81.8° |
| C10 | C11 | C12 | H12A | 112.7° | 155.8° |
| C11 | C10 | C14 | N13 | 32.6° | 22.2° |
| C11 | C10 | C14 | H14 | 152.6° | 97.3° |
| C11 | C10 | C14 | H14A | 87.4° | 141.6° |
| C14 | C10 | C11 | C12 | 24.1° | 35.5° |
| C14 | C10 | C11 | H11 | 95.9° | 153.6° |
| C14 | C10 | C11 | H11A | 144.1° | 82.6° |
| C10 | C14 | N13 | C12 | 28.8° | 1.1° |
| C10 | C14 | N13 | H14 | 120.0° | 119.4° |
| C10 | C14 | N13 | H14A | 120.0° | 119.4° |
| C10 | C14 | N13 | S15 | 169.5° | 178.9° |
| C10 | C14 | H14 | H14A | 121.2° | 121.0° |
| H10 | C10 | C11 | C12 | 145.6° | 83.0° |
| H10 | C10 | C11 | H11 | 25.6° | 35.2° |
| H10 | C10 | C11 | H11A | 94.4° | 159.0° |
| H10 | C10 | C14 | N13 | 151.8° | 96.3° |
| H10 | C10 | C14 | H14 | 88.2° | 144.2° |
| H10 | C10 | C14 | H14A | 31.8° | 23.1° |
| C12 | C11 | H11 | H11A | 121.5° | 123.9° |
| C11 | C12 | N13 | H12 | 120.0° | 118.8° |
| C11 | C12 | N13 | H12A | 120.0° | 118.8° |
| C11 | C12 | H12 | H12A | 121.4° | 122.3° |
| C11 | C12 | N13 | C14 | 12.9° | 24.1° |
| C11 | C12 | N13 | S15 | 178.3° | 155.9° |
| H11 | C11 | C12 | N13 | 112.7° | 155.1° |
| H11 | C11 | C12 | H12 | 7.3° | 36.3° |
| H11 | C11 | C12 | H12A | 127.3° | 86.1° |
| H11A | C11 | C12 | N13 | 127.3° | 81.0° |
| H11A | C11 | C12 | H12 | 112.7° | 160.2° |
| H11A | C11 | C12 | H12A | 7.3° | 37.8° |
| N13 | C12 | H12 | H12A | 121.3° | 122.3° |
| C12 | N13 | C14 | S15 | 161.7° | 180.0° |
| C12 | N13 | C14 | H14 | 148.9° | 120.5° |
| C12 | N13 | C14 | H14A | 91.1° | 118.3° |
| C12 | N13 | S15 | C16 | 1.2° | 90.0° |
| C12 | N13 | S15 | O17 | 120.2° | 153.9° |
| C12 | N13 | S15 | O18 | 123.7° | 26.1° |
| H12 | C12 | N13 | C14 | 107.1° | 94.7° |
| H12 | C12 | N13 | S15 | 61.7° | 85.3° |
| H12A | C12 | N13 | C14 | 132.9° | 142.9° |
| H12A | C12 | N13 | S15 | 58.3° | 37.1° |
| N13 | C14 | H14 | H14A | 121.2° | 121.1° |
| C14 | N13 | S15 | C16 | 162.9° | 90.0° |
| C14 | N13 | S15 | O17 | 41.5° | 26.1° |
| C14 | N13 | S15 | O18 | 74.6° | 153.9° |
| S15 | N13 | C14 | H14 | 49.5° | 59.5° |
| S15 | N13 | C14 | H14A | 70.5° | 61.7° |
| N13 | S15 | C16 | O17 | 118.8° | 111.7° |
| N13 | S15 | C16 | O18 | 121.8° | 111.7° |
| N13 | S15 | O17 | O18 | 116.9° | 116.7° |
| N13 | S15 | C16 | H16 | 180.0° | 60.0° |
| N13 | S15 | C16 | H16A | 60.0° | 180.0° |
| N13 | S15 | C16 | H16B | 60.0° | 60.0° |
| C16 | S15 | O17 | O18 | 120.8° | 131.5° |
| S15 | C16 | H16 | H16A | 120.0° | 120.1° |
| S15 | C16 | H16 | H16B | 120.0° | 120.0° |
| S15 | C16 | H16A | H16B | 120.0° | 120.1° |
| O17 | S15 | C16 | H16 | 61.2° | 51.7° |
| O17 | S15 | C16 | H16A | 58.8° | 68.3° |
| O17 | S15 | C16 | H16B | 178.8° | 171.6° |
| O18 | S15 | C16 | H16 | 58.2° | 171.7° |
| O18 | S15 | C16 | H16A | 178.2° | 68.3° |
| O18 | S15 | C16 | H16B | 61.8° | 51.7° |
| H16 | C16 | H16A | H16B | 120.0° | 119.9° |
| C27 | C19 | C20 | C21 | 1.1° | 0.3° |
| C27 | C19 | C20 | H20 | 178.9° | 179.7° |
| C19 | C27 | C25 | C22 | 5.2° | 0.6° |
| C19 | C27 | C25 | CL26 | 177.8° | 179.8° |
| C19 | C27 | C25 | H27 | 180.0° | 179.5° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.3° | 0.0° |
| C19 | C20 | C21 | H21 | 179.7° | 180.0° |
| C20 | C19 | C27 | C25 | 1.2° | 0.5° |
| C20 | C19 | C27 | H27 | 178.8° | 180.0° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 179.5° | 180.0° |
| C20 | C21 | C22 | C25 | 4.0° | 0.0° |
| H20 | C20 | C21 | C22 | 179.7° | 180.0° |
| H20 | C20 | C21 | H21 | 0.3° | 0.1° |
| C21 | C22 | C23 | C25 | 176.5° | 180.0° |
| C21 | C22 | C23 | N24 | 179.6° | 173.1° |
| C21 | C22 | C25 | CL26 | 179.2° | 180.0° |
| C21 | C22 | C25 | C27 | 6.7° | 0.3° |
| H21 | C21 | C22 | C23 | 0.5° | 0.0° |
| H21 | C21 | C22 | C25 | 175.9° | 180.0° |
| C23 | C22 | C25 | CL26 | 4.1° | 0.0° |
| C23 | C22 | C25 | C27 | 176.6° | 179.7° |
| C25 | C22 | C23 | N24 | 3.9° | 6.8° |
| C22 | C25 | CL26 | C27 | 172.9° | 179.7° |
| C22 | C25 | C27 | H27 | 174.8° | 180.0° |
| CL26 | C25 | C27 | H27 | 2.3° | 0.3° |
