W19
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C5 | doub | 1.37Å | 1.38Å | Aromatic |
| C1 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | S34 | sing | 1.76Å | 1.72Å | Aromatic |
| C15 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C10 | sing | 1.42Å | 1.37Å | Aromatic |
| C13 | O33 | sing | 1.36Å | 1.39Å | |
| S34 | C8 | sing | 1.75Å | 1.71Å | Aromatic |
| C10 | C6 | sing | 1.45Å | 1.43Å | Aromatic |
| O33 | C14 | sing | 1.36Å | 1.39Å | |
| C6 | C8 | doub | 1.32Å | 1.37Å | Aromatic |
| CL1 | C16 | sing | 1.74Å | 1.73Å | |
| C14 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | C7 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | N29 | sing | 1.40Å | 1.40Å | |
| N29 | C18 | sing | 1.38Å | 1.43Å | |
| N27 | C18 | doub | 1.33Å | 1.33Å | Aromatic |
| N27 | C9 | sing | 1.32Å | 1.34Å | Aromatic |
| C18 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | N26 | doub | 1.32Å | 1.33Å | Aromatic |
| C11 | C19 | sing | 1.46Å | 1.48Å | |
| C11 | C17 | doub | 1.41Å | 1.40Å | Aromatic |
| N26 | C17 | sing | 1.33Å | 1.34Å | Aromatic |
| C19 | C20 | doub | 1.36Å | 1.34Å | |
| C17 | N28 | sing | 1.38Å | 1.41Å | |
| C24 | N30 | sing | 1.47Å | 1.45Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| N30 | C21 | sing | 1.35Å | 1.37Å | |
| C25 | O32 | sing | 1.43Å | 1.42Å | |
| C20 | C21 | sing | 1.42Å | 1.49Å | |
| C20 | C22 | sing | 1.51Å | 1.48Å | |
| N28 | C23 | sing | 1.46Å | 1.46Å | |
| C21 | O31 | doub | 1.22Å | 1.23Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| N28 | H19 | sing | 0.97Å | 1.00Å | |
| N29 | H20 | sing | 0.97Å | 1.00Å | |
| N30 | H21 | sing | 0.97Å | 1.00Å | |
| O32 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C1 | C3 | 121.3° | 120.2° |
| C1 | C5 | C15 | 116.0° | 120.5° |
| C5 | C1 | H1 | 119.4° | 119.9° |
| C1 | C5 | H5 | 122.0° | 119.7° |
| C1 | C3 | C13 | 121.5° | 120.4° |
| C3 | C1 | H1 | 119.4° | 119.9° |
| C1 | C3 | H3 | 119.3° | 119.8° |
| C5 | C15 | S34 | 128.5° | 130.5° |
| C5 | C15 | C10 | 123.9° | 119.9° |
| C15 | C5 | H5 | 122.0° | 119.8° |
| C3 | C13 | C10 | 118.9° | 120.2° |
| C3 | C13 | O33 | 119.9° | 119.9° |
| C13 | C3 | H3 | 119.2° | 119.8° |
| S34 | C15 | C10 | 107.6° | 109.6° |
| C15 | S34 | C8 | 96.5° | 92.2° |
| C15 | C10 | C13 | 118.5° | 118.8° |
| C15 | C10 | C6 | 113.1° | 111.9° |
| C10 | C13 | O33 | 121.2° | 119.9° |
| C13 | C10 | C6 | 128.4° | 129.3° |
| C13 | O33 | C14 | 119.1° | 118.0° |
| S34 | C8 | C6 | 107.4° | 111.4° |
| S34 | C8 | H8 | 126.3° | 124.3° |
| C10 | C6 | C8 | 115.4° | 114.9° |
| C10 | C6 | H6 | 122.3° | 122.5° |
| O33 | C14 | C16 | 118.2° | 120.0° |
| O33 | C14 | C4 | 120.9° | 120.0° |
| C8 | C6 | H6 | 122.3° | 122.6° |
| C6 | C8 | H8 | 126.3° | 124.3° |
| CL1 | C16 | C14 | 120.0° | 120.0° |
| CL1 | C16 | C7 | 120.8° | 120.0° |
| C16 | C14 | C4 | 120.9° | 120.0° |
| C14 | C16 | C7 | 119.2° | 120.0° |
| C14 | C4 | C2 | 119.9° | 120.0° |
| C14 | C4 | H4 | 120.1° | 120.0° |
| C16 | C7 | C12 | 120.6° | 120.0° |
| C16 | C7 | H7 | 119.7° | 120.1° |
| C4 | C2 | C12 | 119.9° | 120.0° |
| C4 | C2 | H2 | 120.1° | 120.0° |
| C2 | C4 | H4 | 120.0° | 120.0° |
| C7 | C12 | C2 | 119.5° | 120.0° |
| C7 | C12 | N29 | 118.2° | 120.0° |
| C12 | C7 | H7 | 119.7° | 120.0° |
| C2 | C12 | N29 | 122.3° | 120.0° |
| C12 | C2 | H2 | 120.1° | 120.0° |
| C12 | N29 | C18 | 123.3° | 120.0° |
| C12 | N29 | H20 | 118.4° | 120.0° |
| N29 | C18 | N27 | 117.5° | 120.9° |
| N29 | C18 | C11 | 119.9° | 120.9° |
| C18 | N29 | H20 | 118.3° | 120.0° |
| C18 | N27 | C9 | 116.1° | 121.2° |
| N27 | C18 | C11 | 122.6° | 118.2° |
| N27 | C9 | N26 | 126.1° | 122.7° |
| N27 | C9 | H9 | 116.9° | 118.7° |
| C18 | C11 | C19 | 118.3° | 122.3° |
| C18 | C11 | C17 | 117.2° | 118.4° |
| C9 | N26 | C17 | 117.6° | 120.6° |
| N26 | C9 | H9 | 117.0° | 118.7° |
| C19 | C11 | C17 | 124.3° | 119.3° |
| C11 | C19 | C20 | 128.0° | 120.1° |
| C11 | C19 | H10 | 116.0° | 120.0° |
| C11 | C17 | N26 | 120.4° | 118.9° |
| C11 | C17 | N28 | 127.1° | 119.0° |
| N26 | C17 | N28 | 112.5° | 122.1° |
| C19 | C20 | C21 | 117.2° | 120.2° |
| C19 | C20 | C22 | 122.9° | 119.7° |
| C20 | C19 | H10 | 116.0° | 120.0° |
| C17 | N28 | C23 | 124.2° | 119.1° |
| C17 | N28 | H19 | 105.6° | 120.5° |
| N30 | C24 | C25 | 111.0° | 109.5° |
| C24 | N30 | C21 | 119.8° | 120.0° |
| N30 | C24 | H15 | 109.1° | 109.5° |
| N30 | C24 | H16 | 109.1° | 109.5° |
| C24 | N30 | H21 | 120.1° | 120.0° |
| C24 | C25 | O32 | 107.3° | 109.5° |
| C25 | C24 | H15 | 109.1° | 109.5° |
| C25 | C24 | H16 | 109.1° | 109.5° |
| C24 | C25 | H17 | 110.0° | 109.5° |
| C24 | C25 | H18 | 110.0° | 109.5° |
| N30 | C21 | C20 | 114.5° | 120.0° |
| N30 | C21 | O31 | 123.4° | 120.0° |
| C21 | N30 | H21 | 120.1° | 120.0° |
| O32 | C25 | H17 | 110.0° | 109.5° |
| O32 | C25 | H18 | 110.0° | 109.5° |
| C25 | O32 | H22 | 109.5° | 114.0° |
| C21 | C20 | C22 | 119.8° | 120.2° |
| C20 | C21 | O31 | 122.1° | 120.0° |
| C20 | C22 | C23 | 103.5° | 111.0° |
| C20 | C22 | H11 | 110.9° | 109.2° |
| C20 | C22 | H12 | 111.0° | 109.1° |
| N28 | C23 | C22 | 113.4° | 110.9° |
| N28 | C23 | H13 | 108.5° | 109.2° |
| N28 | C23 | H14 | 108.5° | 109.2° |
| C23 | N28 | H19 | 105.7° | 120.5° |
| C23 | C22 | H11 | 110.9° | 109.2° |
| C23 | C22 | H12 | 110.9° | 109.1° |
| C22 | C23 | H13 | 108.5° | 109.2° |
| C22 | C23 | H14 | 108.5° | 109.2° |
| H11 | C22 | H12 | 109.5° | 109.2° |
| H13 | C23 | H14 | 109.5° | 109.2° |
| H15 | C24 | H16 | 109.4° | 109.4° |
| H17 | C25 | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C1 | C3 | H1 | 180.0° | 179.7° |
| C1 | C5 | C15 | H5 | 180.0° | 180.0° |
| C5 | C1 | C3 | C13 | 0.2° | 0.0° |
| C1 | C5 | C15 | S34 | 179.6° | 180.0° |
| C1 | C5 | C15 | C10 | 0.6° | 0.0° |
| C5 | C1 | C3 | H3 | 179.8° | 180.0° |
| C3 | C1 | C5 | C15 | 0.4° | 0.0° |
| C1 | C3 | C13 | H3 | 180.0° | 180.0° |
| C1 | C3 | C13 | C10 | 0.2° | 0.0° |
| C1 | C3 | C13 | O33 | 179.2° | 179.9° |
| C3 | C1 | C5 | H5 | 179.6° | 180.0° |
| C5 | C15 | S34 | C10 | 179.1° | 180.0° |
| C5 | C15 | C10 | C13 | 0.6° | 0.0° |
| C5 | C15 | S34 | C8 | 179.6° | 180.0° |
| C5 | C15 | C10 | C6 | 179.3° | 180.0° |
| C15 | C5 | C1 | H1 | 179.6° | 179.7° |
| C3 | C13 | C10 | C15 | 0.4° | 0.0° |
| C3 | C13 | C10 | O33 | 179.0° | 180.0° |
| C3 | C13 | C10 | C6 | 179.5° | 180.0° |
| C3 | C13 | O33 | C14 | 110.7° | 94.3° |
| C13 | C3 | C1 | H1 | 179.8° | 179.7° |
| S34 | C15 | C10 | C13 | 179.8° | 180.0° |
| S34 | C15 | C10 | C6 | 0.2° | 0.0° |
| C15 | S34 | C8 | C6 | 0.7° | 0.0° |
| S34 | C15 | C5 | H5 | 0.4° | 0.0° |
| C15 | S34 | C8 | H8 | 179.3° | 179.9° |
| C15 | C10 | C13 | C6 | 179.9° | 180.0° |
| C15 | C10 | C13 | O33 | 179.4° | 180.0° |
| C10 | C15 | S34 | C8 | 0.5° | 0.0° |
| C15 | C10 | C6 | C8 | 0.3° | 0.0° |
| C10 | C15 | C5 | H5 | 179.4° | 180.0° |
| C15 | C10 | C6 | H6 | 179.6° | 179.9° |
| C10 | C13 | O33 | C14 | 70.3° | 85.7° |
| C13 | C10 | C6 | C8 | 179.7° | 180.0° |
| C10 | C13 | C3 | H3 | 179.8° | 180.0° |
| C13 | C10 | C6 | H6 | 0.3° | 0.0° |
| O33 | C13 | C10 | C6 | 0.6° | 0.0° |
| C13 | O33 | C14 | C16 | 140.3° | 174.5° |
| C13 | O33 | C14 | C4 | 41.5° | 5.3° |
| O33 | C13 | C3 | H3 | 0.8° | 0.0° |
| S34 | C8 | C6 | C10 | 0.7° | 0.1° |
| S34 | C8 | C6 | H8 | 180.0° | 179.8° |
| S34 | C8 | C6 | H6 | 179.3° | 179.9° |
| C10 | C6 | C8 | H6 | 180.0° | 180.0° |
| C10 | C6 | C8 | H8 | 179.3° | 179.9° |
| O33 | C14 | C16 | CL1 | 1.5° | 0.2° |
| O33 | C14 | C16 | C4 | 178.2° | 179.8° |
| O33 | C14 | C16 | C7 | 178.4° | 180.0° |
| O33 | C14 | C4 | C2 | 178.7° | 179.8° |
| O33 | C14 | C4 | H4 | 1.3° | 0.2° |
| CL1 | C16 | C14 | C7 | 180.0° | 179.7° |
| CL1 | C16 | C14 | C4 | 179.8° | 180.0° |
| CL1 | C16 | C7 | C12 | 179.8° | 179.7° |
| CL1 | C16 | C7 | H7 | 0.2° | 0.3° |
| C16 | C14 | C4 | C2 | 0.5° | 0.0° |
| C14 | C16 | C7 | C12 | 0.3° | 0.6° |
| C16 | C14 | C4 | H4 | 179.5° | 180.0° |
| C14 | C16 | C7 | H7 | 179.7° | 180.0° |
| C4 | C14 | C16 | C7 | 0.2° | 0.2° |
| C14 | C4 | C2 | H4 | 180.0° | 179.9° |
| C14 | C4 | C2 | C12 | 0.5° | 0.0° |
| C14 | C4 | C2 | H2 | 179.5° | 179.7° |
| C16 | C7 | C12 | H7 | 180.0° | 179.4° |
| C16 | C7 | C12 | C2 | 0.3° | 0.6° |
| C16 | C7 | C12 | N29 | 179.2° | 179.5° |
| C4 | C2 | C12 | C7 | 0.0° | 0.3° |
| C4 | C2 | C12 | H2 | 180.0° | 179.7° |
| C4 | C2 | C12 | N29 | 178.7° | 179.7° |
| C7 | C12 | C2 | N29 | 178.8° | 179.9° |
| C7 | C12 | N29 | C18 | 59.6° | 33.5° |
| C7 | C12 | C2 | H2 | 180.0° | 180.0° |
| C7 | C12 | N29 | H20 | 120.4° | 146.5° |
| C2 | C12 | N29 | C18 | 121.6° | 146.4° |
| C12 | C2 | C4 | H4 | 179.5° | 179.9° |
| C2 | C12 | C7 | H7 | 179.7° | 180.0° |
| C2 | C12 | N29 | H20 | 58.4° | 33.5° |
| C12 | N29 | C18 | H20 | 180.0° | 180.0° |
| C12 | N29 | C18 | N27 | 4.4° | 6.2° |
| C12 | N29 | C18 | C11 | 175.8° | 174.5° |
| N29 | C12 | C2 | H2 | 1.2° | 0.1° |
| N29 | C12 | C7 | H7 | 0.8° | 0.1° |
| N29 | C18 | N27 | C11 | 179.7° | 179.3° |
| N29 | C18 | N27 | C9 | 179.0° | 180.0° |
| N29 | C18 | C11 | C19 | 3.2° | 1.7° |
| N29 | C18 | C11 | C17 | 179.0° | 178.6° |
| C18 | N27 | C9 | N26 | 0.7° | 0.6° |
| N27 | C18 | C11 | C19 | 177.1° | 177.5° |
| N27 | C18 | C11 | C17 | 1.3° | 2.1° |
| C18 | N27 | C9 | H9 | 179.4° | 179.7° |
| N27 | C18 | N29 | H20 | 175.6° | 173.8° |
| C9 | N27 | C18 | C11 | 1.3° | 0.7° |
| N27 | C9 | N26 | H9 | 180.0° | 179.7° |
| N27 | C9 | N26 | C17 | 0.1° | 0.5° |
| C18 | C11 | C19 | C17 | 175.5° | 179.7° |
| C18 | C11 | C17 | N26 | 0.7° | 2.3° |
| C18 | C11 | C19 | C20 | 152.7° | 131.0° |
| C18 | C11 | C17 | N28 | 179.3° | 177.4° |
| C18 | C11 | C19 | H10 | 27.2° | 49.0° |
| C11 | C18 | N29 | H20 | 4.1° | 5.5° |
| C9 | N26 | C17 | C11 | 0.1° | 1.0° |
| C9 | N26 | C17 | N28 | 178.9° | 178.7° |
| C19 | C11 | C17 | N26 | 176.2° | 177.4° |
| C11 | C19 | C20 | H10 | 180.0° | 180.0° |
| C19 | C11 | C17 | N28 | 5.1° | 2.9° |
| C11 | C19 | C20 | C21 | 177.6° | 176.2° |
| C11 | C19 | C20 | C22 | 0.1° | 3.7° |
| C11 | C17 | N26 | N28 | 178.8° | 179.7° |
| C17 | C11 | C19 | C20 | 31.8° | 49.3° |
| C11 | C17 | N28 | C23 | 0.2° | 71.5° |
| C17 | C11 | C19 | H10 | 148.2° | 130.7° |
| C11 | C17 | N28 | H19 | 121.8° | 108.4° |
| N26 | C17 | N28 | C23 | 178.5° | 108.2° |
| C17 | N26 | C9 | H9 | 179.9° | 179.9° |
| N26 | C17 | N28 | H19 | 59.5° | 71.8° |
| C19 | C20 | C21 | N30 | 32.6° | 180.0° |
| C19 | C20 | C21 | C22 | 177.7° | 180.0° |
| C19 | C20 | C21 | O31 | 146.5° | 0.0° |
| C19 | C20 | C22 | C23 | 62.9° | 74.1° |
| C19 | C20 | C22 | H11 | 56.1° | 46.2° |
| C19 | C20 | C22 | H12 | 178.0° | 165.5° |
| C17 | N28 | C23 | H19 | 122.0° | 180.0° |
| C17 | N28 | C23 | C22 | 47.8° | 43.2° |
| C17 | N28 | C23 | H13 | 72.8° | 77.1° |
| C17 | N28 | C23 | H14 | 168.4° | 163.6° |
| N30 | C24 | C25 | H15 | 120.2° | 120.0° |
| N30 | C24 | C25 | H16 | 120.3° | 120.0° |
| C24 | N30 | C21 | H21 | 180.0° | 180.0° |
| N30 | C24 | C25 | O32 | 59.8° | 65.0° |
| C24 | N30 | C21 | C20 | 148.2° | 180.0° |
| C24 | N30 | C21 | O31 | 30.8° | 0.0° |
| N30 | C24 | H15 | H16 | 119.3° | 120.0° |
| N30 | C24 | C25 | H17 | 59.8° | 175.0° |
| N30 | C24 | C25 | H18 | 179.5° | 55.0° |
| C25 | C24 | N30 | C21 | 116.3° | 180.0° |
| C24 | C25 | O32 | H17 | 119.7° | 120.0° |
| C24 | C25 | O32 | H18 | 119.7° | 120.0° |
| C25 | C24 | H15 | H16 | 119.3° | 120.0° |
| C24 | C25 | H17 | H18 | 121.0° | 120.0° |
| C25 | C24 | N30 | H21 | 63.6° | 0.0° |
| C24 | C25 | O32 | H22 | 180.0° | 180.0° |
| N30 | C21 | C20 | O31 | 179.1° | 179.9° |
| N30 | C21 | C20 | C22 | 149.7° | 0.1° |
| C21 | N30 | C24 | H15 | 123.4° | 59.9° |
| C21 | N30 | C24 | H16 | 3.9° | 60.0° |
| O32 | C25 | C24 | H15 | 179.9° | 175.0° |
| O32 | C25 | C24 | H16 | 60.4° | 55.0° |
| O32 | C25 | H17 | H18 | 121.0° | 120.0° |
| C21 | C20 | C22 | C23 | 114.6° | 105.8° |
| C21 | C20 | C19 | H10 | 2.5° | 3.8° |
| C21 | C20 | C22 | H11 | 126.3° | 133.8° |
| C21 | C20 | C22 | H12 | 4.4° | 14.5° |
| C20 | C21 | N30 | H21 | 31.8° | 0.1° |
| C20 | C22 | C23 | N28 | 87.7° | 44.7° |
| C22 | C20 | C21 | O31 | 31.2° | 180.0° |
| C20 | C22 | C23 | H11 | 119.0° | 120.4° |
| C20 | C22 | C23 | H12 | 119.0° | 120.3° |
| C22 | C20 | C19 | H10 | 179.9° | 176.3° |
| C20 | C22 | H11 | H12 | 122.8° | 119.3° |
| C20 | C22 | C23 | H13 | 32.9° | 165.1° |
| C20 | C22 | C23 | H14 | 151.7° | 75.6° |
| N28 | C23 | C22 | H13 | 120.6° | 120.4° |
| N28 | C23 | C22 | H14 | 120.6° | 120.3° |
| N28 | C23 | C22 | H11 | 31.4° | 75.6° |
| N28 | C23 | C22 | H12 | 153.3° | 165.1° |
| N28 | C23 | H13 | H14 | 118.2° | 119.3° |
| O31 | C21 | N30 | H21 | 149.1° | 180.0° |
| C23 | C22 | H11 | H12 | 122.7° | 119.3° |
| C22 | C23 | H13 | H14 | 118.2° | 119.3° |
| C22 | C23 | N28 | H19 | 169.8° | 136.7° |
| H1 | C1 | C3 | H3 | 0.2° | 0.3° |
| H1 | C1 | C5 | H5 | 0.4° | 0.3° |
| H2 | C2 | C4 | H4 | 0.5° | 0.3° |
| H6 | C6 | C8 | H8 | 0.7° | 0.1° |
| H11 | C22 | C23 | H13 | 151.9° | 44.7° |
| H11 | C22 | C23 | H14 | 89.3° | 164.0° |
| H12 | C22 | C23 | H13 | 86.2° | 74.6° |
| H12 | C22 | C23 | H14 | 32.7° | 44.7° |
| H13 | C23 | N28 | H19 | 49.2° | 102.9° |
| H14 | C23 | N28 | H19 | 69.6° | 16.4° |
| H15 | C24 | C25 | H17 | 60.4° | 54.9° |
| H15 | C24 | C25 | H18 | 60.2° | 65.0° |
| H15 | C24 | N30 | H21 | 56.6° | 120.0° |
| H16 | C24 | C25 | H17 | 179.9° | 65.0° |
| H16 | C24 | C25 | H18 | 59.2° | 175.0° |
| H16 | C24 | N30 | H21 | 176.1° | 120.0° |
| H17 | C25 | O32 | H22 | 60.3° | 60.0° |
| H18 | C25 | O32 | H22 | 60.4° | 60.0° |
