32W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C3 | doub | 1.22Å | 1.23Å | |
| C3 | N | sing | 1.35Å | 1.34Å | |
| C3 | C4 | sing | 1.48Å | 1.50Å | |
| N | C2 | sing | 1.46Å | 1.46Å | |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| C1 | O | sing | 1.43Å | 1.41Å | |
| O | C | sing | 1.43Å | 1.42Å | |
| C4 | C22 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | N1 | sing | 1.39Å | 1.41Å | |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | C8 | sing | 1.38Å | 1.36Å | |
| C8 | N3 | sing | 1.32Å | 1.41Å | Aromatic |
| C8 | N2 | doub | 1.33Å | 1.34Å | Aromatic |
| N3 | C15 | doub | 1.34Å | 1.37Å | Aromatic |
| C15 | C10 | sing | 1.42Å | 1.42Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.42Å | Aromatic |
| C10 | C9 | doub | 1.41Å | 1.42Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.42Å | Aromatic |
| C9 | N2 | sing | 1.32Å | 1.31Å | Aromatic |
| C14 | C13 | doub | 1.36Å | 1.37Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C16 | sing | 1.48Å | 1.48Å | |
| C16 | C20 | doub | 1.40Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | N4 | doub | 1.32Å | 1.34Å | Aromatic |
| N4 | C18 | sing | 1.32Å | 1.34Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| N | H | sing | 0.97Å | 1.00Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C | HC1 | sing | 1.09Å | 1.10Å | |
| C | HC2 | sing | 1.09Å | 1.10Å | |
| C | HC3 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C3 | N | 122.4° | 120.0° |
| O1 | C3 | C4 | 120.8° | 120.0° |
| N | C3 | C4 | 116.8° | 120.0° |
| C3 | N | C2 | 123.4° | 120.0° |
| C3 | N | H | 118.3° | 120.0° |
| C3 | C4 | C22 | 119.9° | 120.1° |
| C3 | C4 | C5 | 121.5° | 120.0° |
| N | C2 | C1 | 113.1° | 109.4° |
| C2 | N | H | 118.3° | 120.1° |
| N | C2 | H21C | 108.5° | 109.5° |
| N | C2 | H22C | 108.6° | 109.5° |
| C2 | C1 | O | 107.9° | 109.5° |
| C1 | C2 | H21C | 108.6° | 109.4° |
| C1 | C2 | H22C | 108.5° | 109.5° |
| C2 | C1 | H11C | 109.9° | 109.5° |
| C2 | C1 | H12C | 109.9° | 109.4° |
| C1 | O | C | 112.3° | 114.0° |
| O | C1 | H11C | 109.9° | 109.5° |
| O | C1 | H12C | 109.9° | 109.5° |
| O | C | HC1 | 109.5° | 109.5° |
| O | C | HC2 | 109.5° | 109.5° |
| O | C | HC3 | 109.4° | 109.5° |
| C22 | C4 | C5 | 118.6° | 119.9° |
| C4 | C22 | C21 | 120.6° | 119.9° |
| C4 | C22 | H22 | 119.7° | 120.0° |
| C4 | C5 | C6 | 120.6° | 119.9° |
| C4 | C5 | H5 | 119.7° | 120.1° |
| C22 | C21 | C7 | 120.1° | 120.0° |
| C21 | C22 | H22 | 119.7° | 120.0° |
| C22 | C21 | H21 | 120.0° | 120.0° |
| C21 | C7 | C6 | 118.9° | 120.2° |
| C21 | C7 | N1 | 117.8° | 119.9° |
| C7 | C21 | H21 | 119.9° | 120.0° |
| C6 | C7 | N1 | 120.7° | 120.0° |
| C7 | C6 | C5 | 120.1° | 120.1° |
| C7 | C6 | H6 | 119.9° | 120.0° |
| C7 | N1 | C8 | 134.2° | 120.0° |
| C7 | N1 | H1 | 112.9° | 120.0° |
| C6 | C5 | H5 | 119.7° | 120.0° |
| C5 | C6 | H6 | 119.9° | 120.0° |
| N1 | C8 | N3 | 119.2° | 118.7° |
| N1 | C8 | N2 | 114.8° | 118.6° |
| C8 | N1 | H1 | 112.9° | 120.0° |
| N3 | C8 | N2 | 125.9° | 122.7° |
| C8 | N3 | C15 | 115.2° | 120.3° |
| C8 | N2 | C9 | 116.4° | 121.5° |
| N3 | C15 | C10 | 122.1° | 118.6° |
| N3 | C15 | C14 | 118.9° | 121.8° |
| C10 | C15 | C14 | 119.0° | 119.6° |
| C15 | C10 | C9 | 115.4° | 118.4° |
| C15 | C10 | C11 | 118.1° | 119.7° |
| C15 | C14 | C13 | 120.8° | 119.9° |
| C15 | C14 | H14 | 119.6° | 120.1° |
| C9 | C10 | C11 | 126.4° | 121.9° |
| C10 | C9 | N2 | 124.8° | 118.5° |
| C10 | C9 | H9 | 117.6° | 120.8° |
| C10 | C11 | C12 | 122.1° | 119.3° |
| C10 | C11 | H11 | 119.0° | 120.4° |
| N2 | C9 | H9 | 117.6° | 120.7° |
| C14 | C13 | C12 | 121.7° | 121.0° |
| C13 | C14 | H14 | 119.6° | 120.1° |
| C14 | C13 | H13 | 119.1° | 119.5° |
| C13 | C12 | C11 | 118.3° | 120.5° |
| C13 | C12 | C16 | 121.3° | 119.8° |
| C12 | C13 | H13 | 119.2° | 119.5° |
| C11 | C12 | C16 | 120.1° | 119.7° |
| C12 | C11 | H11 | 118.9° | 120.3° |
| C12 | C16 | C20 | 121.7° | 120.9° |
| C12 | C16 | C17 | 121.1° | 120.9° |
| C20 | C16 | C17 | 117.2° | 118.2° |
| C16 | C20 | C19 | 119.2° | 119.0° |
| C16 | C20 | H20 | 120.4° | 120.5° |
| C16 | C17 | C18 | 119.4° | 119.0° |
| C16 | C17 | H17 | 120.3° | 120.5° |
| C20 | C19 | N4 | 123.9° | 120.9° |
| C19 | C20 | H20 | 120.4° | 120.5° |
| C20 | C19 | H19 | 118.1° | 119.6° |
| C19 | N4 | C18 | 116.7° | 122.0° |
| N4 | C19 | H19 | 118.1° | 119.6° |
| N4 | C18 | C17 | 123.6° | 120.9° |
| N4 | C18 | H18 | 118.2° | 119.6° |
| C18 | C17 | H17 | 120.3° | 120.6° |
| C17 | C18 | H18 | 118.2° | 119.5° |
| H21C | C2 | H22C | 109.5° | 109.5° |
| H11C | C1 | H12C | 109.4° | 109.5° |
| HC1 | C | HC2 | 109.4° | 109.4° |
| HC1 | C | HC3 | 109.5° | 109.5° |
| HC2 | C | HC3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C3 | N | C4 | 179.1° | 179.7° |
| O1 | C3 | N | C2 | 0.8° | 0.0° |
| O1 | C3 | C4 | C22 | 25.4° | 0.1° |
| O1 | C3 | C4 | C5 | 152.7° | 179.7° |
| O1 | C3 | N | H | 179.2° | 179.9° |
| C3 | N | C2 | H | 180.0° | 179.9° |
| C3 | N | C2 | C1 | 90.9° | 180.0° |
| N | C3 | C4 | C22 | 153.7° | 179.7° |
| N | C3 | C4 | C5 | 28.2° | 0.6° |
| C3 | N | C2 | H21C | 29.7° | 60.1° |
| C3 | N | C2 | H22C | 148.6° | 60.0° |
| C4 | C3 | N | C2 | 179.9° | 179.7° |
| C3 | C4 | C22 | C5 | 178.1° | 179.7° |
| C3 | C4 | C22 | C21 | 179.4° | 180.0° |
| C3 | C4 | C5 | C6 | 179.2° | 179.8° |
| C4 | C3 | N | H | 0.1° | 0.3° |
| C3 | C4 | C22 | H22 | 0.6° | 0.0° |
| C3 | C4 | C5 | H5 | 0.8° | 0.0° |
| N | C2 | C1 | H21C | 120.5° | 120.0° |
| N | C2 | C1 | H22C | 120.6° | 120.1° |
| N | C2 | C1 | O | 62.1° | 65.0° |
| N | C2 | H21C | H22C | 118.3° | 120.1° |
| N | C2 | C1 | H11C | 57.7° | 175.0° |
| N | C2 | C1 | H12C | 178.1° | 55.0° |
| C2 | C1 | O | H11C | 119.8° | 120.0° |
| C2 | C1 | O | H12C | 119.8° | 119.9° |
| C2 | C1 | O | C | 179.1° | 180.0° |
| C1 | C2 | N | H | 89.1° | 0.1° |
| C1 | C2 | H21C | H22C | 118.3° | 120.0° |
| C2 | C1 | H11C | H12C | 120.7° | 120.0° |
| O | C1 | C2 | H21C | 177.4° | 55.0° |
| O | C1 | C2 | H22C | 58.4° | 175.0° |
| O | C1 | H11C | H12C | 120.7° | 120.0° |
| C1 | O | C | HC1 | 180.0° | 60.0° |
| C1 | O | C | HC2 | 60.0° | 180.0° |
| C1 | O | C | HC3 | 60.0° | 60.0° |
| C | O | C1 | H11C | 59.3° | 60.0° |
| C | O | C1 | H12C | 61.1° | 60.1° |
| O | C | HC1 | HC2 | 120.0° | 120.0° |
| O | C | HC1 | HC3 | 120.0° | 120.0° |
| O | C | HC2 | HC3 | 120.0° | 120.0° |
| C4 | C22 | C21 | H22 | 180.0° | 180.0° |
| C4 | C22 | C21 | C7 | 6.6° | 0.0° |
| C22 | C4 | C5 | C6 | 1.1° | 0.5° |
| C22 | C4 | C5 | H5 | 178.9° | 179.7° |
| C4 | C22 | C21 | H21 | 173.4° | 180.0° |
| C5 | C4 | C22 | C21 | 1.3° | 0.3° |
| C4 | C5 | C6 | C7 | 6.1° | 0.5° |
| C4 | C5 | C6 | H5 | 180.0° | 179.7° |
| C5 | C4 | C22 | H22 | 178.7° | 179.7° |
| C4 | C5 | C6 | H6 | 173.9° | 179.7° |
| C22 | C21 | C7 | H21 | 180.0° | 180.0° |
| C22 | C21 | C7 | C6 | 11.5° | 0.1° |
| C22 | C21 | C7 | N1 | 173.4° | 180.0° |
| C21 | C7 | C6 | N1 | 161.4° | 179.9° |
| C21 | C7 | C6 | C5 | 11.2° | 0.1° |
| C21 | C7 | N1 | C8 | 173.3° | 34.3° |
| C7 | C21 | C22 | H22 | 173.4° | 179.9° |
| C21 | C7 | C6 | H6 | 168.8° | 180.0° |
| C21 | C7 | N1 | H1 | 6.7° | 145.7° |
| C7 | C6 | C5 | H6 | 180.0° | 179.9° |
| C6 | C7 | N1 | C8 | 11.8° | 145.6° |
| C7 | C6 | C5 | H5 | 173.9° | 179.8° |
| C6 | C7 | C21 | H21 | 168.5° | 179.9° |
| C6 | C7 | N1 | H1 | 168.2° | 34.4° |
| N1 | C7 | C6 | C5 | 172.6° | 179.8° |
| C7 | N1 | C8 | H1 | 180.0° | 180.0° |
| C7 | N1 | C8 | N3 | 13.0° | 174.5° |
| C7 | N1 | C8 | N2 | 172.0° | 5.2° |
| N1 | C7 | C21 | H21 | 6.6° | 0.0° |
| N1 | C7 | C6 | H6 | 7.4° | 0.1° |
| N1 | C8 | N3 | N2 | 174.4° | 179.7° |
| N1 | C8 | N3 | C15 | 177.8° | 180.0° |
| N1 | C8 | N2 | C9 | 174.6° | 179.7° |
| C8 | N3 | C15 | C10 | 2.2° | 0.0° |
| C8 | N3 | C15 | C14 | 179.8° | 180.0° |
| N3 | C8 | N2 | C9 | 0.0° | 0.6° |
| N3 | C8 | N1 | H1 | 167.0° | 5.6° |
| N2 | C8 | N3 | C15 | 3.4° | 0.3° |
| C8 | N2 | C9 | C10 | 5.0° | 0.7° |
| N2 | C8 | N1 | H1 | 8.0° | 174.8° |
| C8 | N2 | C9 | H9 | 175.0° | 179.7° |
| N3 | C15 | C10 | C14 | 178.0° | 180.0° |
| N3 | C15 | C10 | C9 | 2.0° | 0.0° |
| N3 | C15 | C10 | C11 | 179.2° | 179.9° |
| N3 | C15 | C14 | C13 | 179.0° | 180.0° |
| N3 | C15 | C14 | H14 | 1.0° | 0.0° |
| C15 | C10 | C9 | C11 | 177.0° | 179.9° |
| C15 | C10 | C9 | N2 | 6.0° | 0.3° |
| C10 | C15 | C14 | C13 | 2.9° | 0.0° |
| C15 | C10 | C11 | C12 | 0.7° | 0.0° |
| C10 | C15 | C14 | H14 | 177.1° | 180.0° |
| C15 | C10 | C9 | H9 | 174.0° | 180.0° |
| C15 | C10 | C11 | H11 | 179.3° | 180.0° |
| C14 | C15 | C10 | C9 | 176.0° | 179.9° |
| C14 | C15 | C10 | C11 | 1.2° | 0.0° |
| C15 | C14 | C13 | H14 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 2.7° | 0.0° |
| C15 | C14 | C13 | H13 | 177.3° | 180.0° |
| C10 | C9 | N2 | H9 | 180.0° | 179.6° |
| C9 | C10 | C11 | C12 | 177.6° | 180.0° |
| C9 | C10 | C11 | H11 | 2.4° | 0.1° |
| C11 | C10 | C9 | N2 | 177.1° | 179.7° |
| C10 | C11 | C12 | C13 | 1.0° | 0.0° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C16 | 172.2° | 180.0° |
| C11 | C10 | C9 | H9 | 2.9° | 0.1° |
| C14 | C13 | C12 | H13 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.8° | 0.0° |
| C14 | C13 | C12 | C16 | 173.9° | 180.0° |
| C13 | C12 | C11 | C16 | 173.2° | 180.0° |
| C13 | C12 | C16 | C20 | 82.6° | 0.0° |
| C13 | C12 | C16 | C17 | 100.2° | 179.7° |
| C12 | C13 | C14 | H14 | 177.3° | 180.0° |
| C13 | C12 | C11 | H11 | 179.1° | 180.0° |
| C11 | C12 | C16 | C20 | 104.4° | 180.0° |
| C11 | C12 | C16 | C17 | 72.8° | 0.3° |
| C11 | C12 | C13 | H13 | 179.2° | 180.0° |
| C12 | C16 | C20 | C17 | 177.3° | 179.7° |
| C12 | C16 | C20 | C19 | 179.7° | 180.0° |
| C12 | C16 | C17 | C18 | 179.8° | 179.8° |
| C16 | C12 | C11 | H11 | 7.8° | 0.1° |
| C16 | C12 | C13 | H13 | 6.1° | 0.0° |
| C12 | C16 | C20 | H20 | 0.3° | 0.1° |
| C12 | C16 | C17 | H17 | 0.2° | 0.1° |
| C16 | C20 | C19 | H20 | 180.0° | 179.9° |
| C16 | C20 | C19 | N4 | 1.3° | 0.1° |
| C20 | C16 | C17 | C18 | 2.4° | 0.5° |
| C20 | C16 | C17 | H17 | 177.6° | 179.7° |
| C16 | C20 | C19 | H19 | 178.7° | 179.9° |
| C17 | C16 | C20 | C19 | 2.4° | 0.3° |
| C16 | C17 | C18 | N4 | 1.4° | 0.5° |
| C16 | C17 | C18 | H17 | 180.0° | 179.7° |
| C17 | C16 | C20 | H20 | 177.6° | 179.8° |
| C16 | C17 | C18 | H18 | 178.6° | 179.8° |
| C20 | C19 | N4 | H19 | 180.0° | 180.0° |
| C20 | C19 | N4 | C18 | 0.1° | 0.0° |
| C19 | N4 | C18 | C17 | 0.1° | 0.3° |
| N4 | C19 | C20 | H20 | 178.7° | 179.9° |
| C19 | N4 | C18 | H18 | 179.9° | 180.0° |
| N4 | C18 | C17 | H18 | 180.0° | 179.7° |
| N4 | C18 | C17 | H17 | 178.7° | 179.8° |
| C18 | N4 | C19 | H19 | 179.9° | 180.0° |
| H | N | C2 | H21C | 150.3° | 120.0° |
| H | N | C2 | H22C | 31.4° | 119.9° |
| H21C | C2 | C1 | H11C | 62.8° | 65.0° |
| H21C | C2 | C1 | H12C | 57.6° | 175.0° |
| H22C | C2 | C1 | H11C | 178.2° | 55.0° |
| H22C | C2 | C1 | H12C | 61.3° | 65.0° |
| HC1 | C | HC2 | HC3 | 120.0° | 120.0° |
| H22 | C22 | C21 | H21 | 6.6° | 0.0° |
| H5 | C5 | C6 | H6 | 6.1° | 0.1° |
| H14 | C14 | C13 | H13 | 2.7° | 0.0° |
| H20 | C20 | C19 | H19 | 1.3° | 0.1° |
| H17 | C17 | C18 | H18 | 1.4° | 0.1° |
