ZWP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O25 | C18 | sing | 1.36Å | 1.33Å | |
| N17 | C18 | sing | 1.33Å | 1.35Å | Aromatic |
| N17 | C16 | doub | 1.32Å | 1.35Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.50Å | |
| C15 | C7 | sing | 1.51Å | 1.51Å | |
| C16 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C22 | sing | 1.51Å | 1.51Å | |
| C19 | N20 | sing | 1.33Å | 1.32Å | Aromatic |
| C22 | C23 | sing | 1.52Å | 1.53Å | |
| C1 | C6 | doub | 1.37Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C21 | N20 | doub | 1.34Å | 1.33Å | Aromatic |
| N20 | C24 | sing | 1.37Å | 1.46Å | |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.32Å | 1.53Å | |
| C7 | C2 | sing | 1.46Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.34Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.41Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.31Å | 1.32Å | |
| C13 | C10 | sing | 1.51Å | 1.51Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C10 | sing | 1.51Å | 1.51Å | |
| C8 | N9 | sing | 1.37Å | 1.35Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | N9 | sing | 1.38Å | 1.35Å | Aromatic |
| C12 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.08Å | 1.08Å | |
| C24 | H16 | sing | 1.08Å | 1.08Å | |
| C4 | H17 | sing | 1.08Å | 1.08Å | |
| C5 | H18 | sing | 1.08Å | 1.08Å | |
| C6 | H19 | sing | 1.08Å | 1.08Å | |
| N9 | H21 | sing | 0.97Å | 1.00Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O25 | C18 | N17 | 119.8° | 120.1° |
| O25 | C18 | C19 | 121.7° | 120.1° |
| C18 | N17 | C16 | 119.2° | 119.7° |
| N17 | C18 | C19 | 118.5° | 119.8° |
| N17 | C16 | C15 | 121.1° | 119.8° |
| N17 | C16 | C21 | 121.0° | 120.6° |
| C18 | C19 | C22 | 127.1° | 132.5° |
| C18 | C19 | N20 | 121.7° | 121.0° |
| C16 | C15 | C7 | 106.2° | 109.4° |
| C15 | C16 | C21 | 117.9° | 119.7° |
| C16 | C15 | H11 | 110.3° | 109.5° |
| C16 | C15 | H12 | 110.3° | 109.5° |
| C15 | C7 | C2 | 126.8° | 126.5° |
| C15 | C7 | C8 | 128.5° | 126.5° |
| C7 | C15 | H11 | 110.3° | 109.5° |
| C7 | C15 | H12 | 110.3° | 109.5° |
| C16 | C21 | N20 | 119.0° | 120.4° |
| C16 | C21 | H13 | 120.5° | 119.8° |
| C22 | C19 | N20 | 111.3° | 106.6° |
| C19 | C22 | C23 | 103.1° | 103.0° |
| C19 | C22 | H14 | 111.1° | 110.7° |
| C19 | C22 | H22 | 111.0° | 110.7° |
| C19 | N20 | C21 | 120.6° | 118.6° |
| C19 | N20 | C24 | 114.5° | 111.6° |
| C22 | C23 | C24 | 107.8° | 105.9° |
| C23 | C22 | H14 | 111.0° | 110.7° |
| C22 | C23 | H15 | 126.1° | 127.1° |
| C23 | C22 | H22 | 111.0° | 110.7° |
| C6 | C1 | C2 | 118.8° | 119.8° |
| C1 | C6 | C5 | 120.4° | 120.6° |
| C6 | C1 | H1 | 120.6° | 120.1° |
| C1 | C6 | H19 | 119.8° | 119.7° |
| C1 | C2 | C7 | 129.8° | 134.0° |
| C1 | C2 | C3 | 121.5° | 119.9° |
| C2 | C1 | H1 | 120.6° | 120.1° |
| C21 | N20 | C24 | 124.8° | 129.8° |
| N20 | C21 | H13 | 120.5° | 119.8° |
| N20 | C24 | C23 | 103.3° | 112.9° |
| N20 | C24 | H16 | 128.4° | 123.6° |
| C6 | C5 | C4 | 120.2° | 120.6° |
| C6 | C5 | H18 | 119.9° | 119.7° |
| C5 | C6 | H19 | 119.8° | 119.7° |
| C24 | C23 | H15 | 126.1° | 127.0° |
| C23 | C24 | H16 | 128.4° | 123.5° |
| C2 | C7 | C8 | 104.7° | 107.0° |
| C7 | C2 | C3 | 108.7° | 106.1° |
| C7 | C8 | C10 | 136.0° | 125.0° |
| C7 | C8 | N9 | 110.7° | 109.9° |
| C2 | C3 | C4 | 119.3° | 119.4° |
| C2 | C3 | N9 | 108.2° | 107.2° |
| C14 | C13 | C10 | 121.0° | 120.0° |
| C14 | C13 | H8 | 119.5° | 120.0° |
| C13 | C14 | H9 | 120.0° | 120.0° |
| C13 | C14 | H10 | 120.0° | 120.0° |
| C13 | C10 | C8 | 113.0° | 109.5° |
| C13 | C10 | C12 | 108.5° | 109.4° |
| C13 | C10 | C11 | 107.1° | 109.5° |
| C10 | C13 | H8 | 119.5° | 120.0° |
| C5 | C4 | C3 | 119.8° | 119.8° |
| C5 | C4 | H17 | 120.1° | 120.1° |
| C4 | C5 | H18 | 119.9° | 119.7° |
| C10 | C8 | N9 | 113.3° | 125.1° |
| C8 | C10 | C12 | 109.1° | 109.5° |
| C8 | C10 | C11 | 108.5° | 109.4° |
| C8 | N9 | C3 | 107.7° | 109.9° |
| C8 | N9 | H21 | 126.1° | 125.1° |
| C4 | C3 | N9 | 132.5° | 133.5° |
| C3 | C4 | H17 | 120.1° | 120.1° |
| C3 | N9 | H21 | 126.1° | 125.1° |
| C12 | C10 | C11 | 110.6° | 109.5° |
| C10 | C12 | H5 | 109.5° | 109.5° |
| C10 | C12 | H6 | 109.5° | 109.5° |
| C10 | C12 | H7 | 109.4° | 109.5° |
| C10 | C11 | H2 | 109.5° | 109.5° |
| C10 | C11 | H3 | 109.5° | 109.5° |
| C10 | C11 | H4 | 109.5° | 109.5° |
| H2 | C11 | H3 | 109.4° | 109.5° |
| H2 | C11 | H4 | 109.5° | 109.5° |
| H3 | C11 | H4 | 109.5° | 109.5° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H5 | C12 | H7 | 109.5° | 109.5° |
| H6 | C12 | H7 | 109.5° | 109.4° |
| H9 | C14 | H10 | 120.0° | 119.9° |
| H11 | C15 | H12 | 109.5° | 109.5° |
| H14 | C22 | H22 | 109.4° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O25 | C18 | N17 | C19 | 179.7° | 179.7° |
| O25 | C18 | N17 | C16 | 179.7° | 179.7° |
| O25 | C18 | C19 | C22 | 0.1° | 0.3° |
| O25 | C18 | C19 | N20 | 179.9° | 180.0° |
| C18 | N17 | C16 | C15 | 179.4° | 179.9° |
| C18 | N17 | C16 | C21 | 0.6° | 0.3° |
| N17 | C18 | C19 | C22 | 179.8° | 180.0° |
| N17 | C18 | C19 | N20 | 0.2° | 0.3° |
| C16 | N17 | C18 | C19 | 0.0° | 0.0° |
| N17 | C16 | C15 | C21 | 178.9° | 179.7° |
| N17 | C16 | C15 | C7 | 150.7° | 53.1° |
| N17 | C16 | C21 | N20 | 0.9° | 0.3° |
| N17 | C16 | C15 | H11 | 89.8° | 66.9° |
| N17 | C16 | C15 | H12 | 31.2° | 173.1° |
| N17 | C16 | C21 | H13 | 179.1° | 179.8° |
| C18 | C19 | C22 | N20 | 180.0° | 179.7° |
| C18 | C19 | C22 | C23 | 179.5° | 180.0° |
| C18 | C19 | N20 | C21 | 0.1° | 0.3° |
| C18 | C19 | N20 | C24 | 179.9° | 180.0° |
| C18 | C19 | C22 | H14 | 60.5° | 61.6° |
| C18 | C19 | C22 | H22 | 61.5° | 61.7° |
| C16 | C15 | C7 | H11 | 119.5° | 120.0° |
| C16 | C15 | C7 | H12 | 119.5° | 120.0° |
| C15 | C16 | C21 | N20 | 179.8° | 180.0° |
| C16 | C15 | C7 | C2 | 98.0° | 83.2° |
| C16 | C15 | C7 | C8 | 80.4° | 96.8° |
| C16 | C15 | H11 | H12 | 121.5° | 120.0° |
| C15 | C16 | C21 | H13 | 0.2° | 0.1° |
| C7 | C15 | C16 | C21 | 28.2° | 127.2° |
| C15 | C7 | C2 | C1 | 0.1° | 0.0° |
| C15 | C7 | C2 | C8 | 178.7° | 180.0° |
| C15 | C7 | C2 | C3 | 179.6° | 180.0° |
| C15 | C7 | C8 | C10 | 2.0° | 0.0° |
| C15 | C7 | C8 | N9 | 180.0° | 180.0° |
| C7 | C15 | H11 | H12 | 121.5° | 120.0° |
| C16 | C21 | N20 | C19 | 0.6° | 0.0° |
| C16 | C21 | N20 | H13 | 180.0° | 180.0° |
| C16 | C21 | N20 | C24 | 179.6° | 179.7° |
| C21 | C16 | C15 | H11 | 91.3° | 112.8° |
| C21 | C16 | C15 | H12 | 147.7° | 7.2° |
| C19 | C22 | C23 | H14 | 119.0° | 118.4° |
| C19 | C22 | C23 | H22 | 119.0° | 118.3° |
| C22 | C19 | N20 | C21 | 179.9° | 180.0° |
| C22 | C19 | N20 | C24 | 0.2° | 0.2° |
| C19 | C22 | C23 | C24 | 0.7° | 0.2° |
| C19 | C22 | H14 | H22 | 122.9° | 123.2° |
| C19 | C22 | C23 | H15 | 179.3° | 180.0° |
| N20 | C19 | C22 | C23 | 0.5° | 0.2° |
| C19 | N20 | C21 | C24 | 179.7° | 179.7° |
| C19 | N20 | C24 | C23 | 0.3° | 0.1° |
| C19 | N20 | C21 | H13 | 179.4° | 180.0° |
| N20 | C19 | C22 | H14 | 119.5° | 118.1° |
| C19 | N20 | C24 | H16 | 179.7° | 179.9° |
| N20 | C19 | C22 | H22 | 118.5° | 118.6° |
| C22 | C23 | C24 | N20 | 0.6° | 0.0° |
| C22 | C23 | C24 | H15 | 180.0° | 179.8° |
| C23 | C22 | H14 | H22 | 122.9° | 123.2° |
| C22 | C23 | C24 | H16 | 179.4° | 180.0° |
| C6 | C1 | C2 | H1 | 180.0° | 179.6° |
| C1 | C6 | C5 | H19 | 180.0° | 180.0° |
| C6 | C1 | C2 | C7 | 179.2° | 180.0° |
| C6 | C1 | C2 | C3 | 1.0° | 0.1° |
| C1 | C6 | C5 | C4 | 0.5° | 0.0° |
| C1 | C6 | C5 | H18 | 179.5° | 179.9° |
| C2 | C1 | C6 | C5 | 1.1° | 0.1° |
| C1 | C2 | C7 | C3 | 179.8° | 180.0° |
| C1 | C2 | C7 | C8 | 178.9° | 180.0° |
| C1 | C2 | C3 | C4 | 0.5° | 0.0° |
| C1 | C2 | C3 | N9 | 179.5° | 179.9° |
| C2 | C1 | C6 | H19 | 178.9° | 180.0° |
| C21 | N20 | C24 | C23 | 179.5° | 179.8° |
| C21 | N20 | C24 | H16 | 0.6° | 0.2° |
| N20 | C24 | C23 | H16 | 180.0° | 180.0° |
| C24 | N20 | C21 | H13 | 0.4° | 0.3° |
| N20 | C24 | C23 | H15 | 179.4° | 179.9° |
| C6 | C5 | C4 | H18 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.0° | 0.1° |
| C5 | C6 | C1 | H1 | 178.9° | 179.7° |
| C6 | C5 | C4 | H17 | 179.9° | 179.9° |
| C24 | C23 | C22 | H14 | 119.7° | 118.2° |
| C24 | C23 | C22 | H22 | 118.3° | 118.5° |
| C2 | C7 | C8 | C10 | 179.3° | 179.9° |
| C2 | C7 | C8 | N9 | 1.3° | 0.0° |
| C7 | C2 | C3 | C4 | 179.7° | 180.0° |
| C7 | C2 | C3 | N9 | 0.2° | 0.1° |
| C7 | C2 | C1 | H1 | 0.8° | 0.3° |
| C2 | C7 | C15 | H11 | 21.5° | 36.8° |
| C2 | C7 | C15 | H12 | 142.5° | 156.8° |
| C8 | C7 | C2 | C3 | 0.9° | 0.0° |
| C7 | C8 | C10 | C13 | 30.5° | 58.1° |
| C7 | C8 | C10 | N9 | 178.0° | 179.9° |
| C7 | C8 | N9 | C3 | 1.2° | 0.1° |
| C7 | C8 | C10 | C12 | 90.3° | 62.0° |
| C7 | C8 | C10 | C11 | 149.1° | 178.1° |
| C8 | C7 | C15 | H11 | 160.1° | 143.2° |
| C8 | C7 | C15 | H12 | 39.1° | 23.2° |
| C7 | C8 | N9 | H21 | 178.8° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.1° |
| C2 | C3 | N9 | C8 | 0.6° | 0.1° |
| C2 | C3 | C4 | N9 | 180.0° | 179.9° |
| C3 | C2 | C1 | H1 | 179.0° | 179.7° |
| C2 | C3 | C4 | H17 | 179.9° | 179.9° |
| C2 | C3 | N9 | H21 | 179.4° | 180.0° |
| C14 | C13 | C10 | H8 | 180.0° | 180.0° |
| C14 | C13 | C10 | C8 | 80.2° | 114.0° |
| C14 | C13 | C10 | C12 | 158.7° | 126.0° |
| C14 | C13 | C10 | C11 | 39.2° | 6.0° |
| C13 | C14 | H9 | H10 | 180.0° | 179.9° |
| C13 | C10 | C8 | C12 | 120.8° | 120.0° |
| C13 | C10 | C8 | C11 | 118.6° | 120.0° |
| C13 | C10 | C8 | N9 | 151.5° | 121.9° |
| C13 | C10 | C12 | C11 | 117.2° | 120.0° |
| C13 | C10 | C11 | H2 | 180.0° | 180.0° |
| C13 | C10 | C11 | H3 | 60.0° | 60.0° |
| C13 | C10 | C11 | H4 | 60.0° | 60.0° |
| C13 | C10 | C12 | H5 | 180.0° | 66.8° |
| C13 | C10 | C12 | H6 | 60.0° | 53.3° |
| C13 | C10 | C12 | H7 | 60.0° | 173.2° |
| C10 | C13 | C14 | H9 | 180.0° | 179.9° |
| C10 | C13 | C14 | H10 | 0.0° | 0.1° |
| C5 | C4 | C3 | H17 | 180.0° | 180.0° |
| C5 | C4 | C3 | N9 | 179.9° | 180.0° |
| C4 | C5 | C6 | H19 | 179.5° | 179.9° |
| C10 | C8 | N9 | C3 | 179.7° | 180.0° |
| C8 | C10 | C12 | C11 | 119.3° | 120.0° |
| C8 | C10 | C11 | H2 | 57.8° | 60.0° |
| C8 | C10 | C11 | H3 | 177.7° | 60.0° |
| C8 | C10 | C11 | H4 | 62.2° | 180.0° |
| C8 | C10 | C12 | H5 | 56.5° | 173.2° |
| C8 | C10 | C12 | H6 | 63.5° | 66.8° |
| C8 | C10 | C12 | H7 | 176.6° | 53.2° |
| C8 | C10 | C13 | H8 | 99.8° | 66.0° |
| C10 | C8 | N9 | H21 | 0.3° | 0.1° |
| C8 | N9 | C3 | C4 | 179.5° | 180.0° |
| C8 | N9 | C3 | H21 | 180.0° | 179.9° |
| N9 | C8 | C10 | C12 | 87.7° | 118.1° |
| N9 | C8 | C10 | C11 | 32.9° | 1.9° |
| C3 | C4 | C5 | H18 | 180.0° | 180.0° |
| C4 | C3 | N9 | H21 | 0.5° | 0.1° |
| N9 | C3 | C4 | H17 | 0.1° | 0.1° |
| C12 | C10 | C11 | H2 | 61.9° | 60.0° |
| C12 | C10 | C11 | H3 | 58.1° | 180.0° |
| C12 | C10 | C11 | H4 | 178.1° | 60.0° |
| C10 | C12 | H5 | H6 | 120.0° | 120.0° |
| C10 | C12 | H5 | H7 | 120.0° | 120.0° |
| C10 | C12 | H6 | H7 | 120.0° | 120.0° |
| C12 | C10 | C13 | H8 | 21.3° | 54.0° |
| C10 | C11 | H2 | H3 | 120.0° | 120.0° |
| C10 | C11 | H2 | H4 | 120.0° | 120.0° |
| C10 | C11 | H3 | H4 | 120.0° | 120.0° |
| C11 | C10 | C12 | H5 | 62.8° | 53.2° |
| C11 | C10 | C12 | H6 | 177.2° | 173.3° |
| C11 | C10 | C12 | H7 | 57.3° | 66.8° |
| C11 | C10 | C13 | H8 | 140.8° | 174.0° |
| H1 | C1 | C6 | H19 | 1.1° | 0.4° |
| H2 | C11 | H3 | H4 | 120.0° | 120.0° |
| H5 | C12 | H6 | H7 | 120.0° | 120.0° |
| H8 | C13 | C14 | H9 | 0.0° | 0.1° |
| H8 | C13 | C14 | H10 | 180.0° | 179.9° |
| H14 | C22 | C23 | H15 | 60.3° | 61.6° |
| H15 | C23 | C24 | H16 | 0.6° | 0.1° |
| H15 | C23 | C22 | H22 | 61.7° | 61.7° |
| H17 | C4 | C5 | H18 | 0.1° | 0.0° |
| H18 | C5 | C6 | H19 | 0.5° | 0.0° |
