W0O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.47Å | 1.47Å | |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| N1 | C4 | sing | 1.47Å | 1.47Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C3 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | N2 | sing | 1.46Å | 1.47Å | |
| N2 | N6 | sing | 1.40Å | 1.38Å | Aromatic |
| N2 | C7 | sing | 1.36Å | 1.35Å | Aromatic |
| N6 | C11 | doub | 1.31Å | 1.33Å | Aromatic |
| C7 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
| C7 | C10 | sing | 1.41Å | 1.41Å | Aromatic |
| N3 | C8 | sing | 1.31Å | 1.33Å | Aromatic |
| C11 | C10 | sing | 1.46Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.48Å | 1.47Å | |
| C10 | C9 | doub | 1.41Å | 1.42Å | Aromatic |
| C8 | N4 | doub | 1.32Å | 1.34Å | Aromatic |
| C23 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C22 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | N4 | sing | 1.33Å | 1.35Å | Aromatic |
| C9 | N5 | sing | 1.38Å | 1.34Å | |
| C15 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | O1 | sing | 1.36Å | 1.39Å | |
| C19 | C20 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | O1 | sing | 1.36Å | 1.39Å | |
| C16 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C22 | H17 | sing | 1.08Å | 1.08Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| C21 | H19 | sing | 1.08Å | 1.08Å | |
| C5 | H20 | sing | 1.09Å | 1.10Å | |
| C5 | H21 | sing | 1.09Å | 1.10Å | |
| C6 | H22 | sing | 1.09Å | 1.10Å | |
| N5 | H24 | sing | 0.97Å | 1.00Å | |
| N5 | H25 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C2 | 110.5° | 111.0° |
| C1 | N1 | C4 | 110.1° | 111.0° |
| N1 | C1 | H1 | 109.5° | 109.4° |
| N1 | C1 | H2 | 109.4° | 109.4° |
| N1 | C1 | H3 | 109.5° | 109.5° |
| N1 | C2 | C3 | 111.2° | 109.5° |
| C2 | N1 | C4 | 110.9° | 111.2° |
| N1 | C2 | H4 | 109.0° | 109.5° |
| N1 | C2 | H5 | 109.0° | 109.5° |
| C2 | C3 | C6 | 109.7° | 109.3° |
| C3 | C2 | H4 | 109.0° | 109.4° |
| C3 | C2 | H5 | 109.0° | 109.4° |
| C2 | C3 | H6 | 109.4° | 109.5° |
| C2 | C3 | H7 | 109.4° | 109.5° |
| N1 | C4 | C5 | 111.0° | 109.5° |
| N1 | C4 | H8 | 109.1° | 109.5° |
| N1 | C4 | H9 | 109.1° | 109.4° |
| C4 | C5 | C6 | 110.0° | 109.2° |
| C5 | C4 | H8 | 109.1° | 109.5° |
| C5 | C4 | H9 | 109.1° | 109.4° |
| C4 | C5 | H20 | 109.4° | 109.5° |
| C4 | C5 | H21 | 109.4° | 109.5° |
| C3 | C6 | C5 | 110.5° | 109.2° |
| C3 | C6 | N2 | 111.8° | 109.5° |
| C6 | C3 | H6 | 109.4° | 109.5° |
| C6 | C3 | H7 | 109.4° | 109.5° |
| C3 | C6 | H22 | 107.7° | 109.6° |
| C5 | C6 | N2 | 110.5° | 109.5° |
| C6 | C5 | H20 | 109.3° | 109.5° |
| C6 | C5 | H21 | 109.3° | 109.5° |
| C5 | C6 | H22 | 107.8° | 109.5° |
| C6 | N2 | N6 | 123.1° | 125.3° |
| C6 | N2 | C7 | 126.8° | 125.3° |
| N2 | C6 | H22 | 108.4° | 109.5° |
| N6 | N2 | C7 | 110.1° | 109.4° |
| N2 | N6 | C11 | 107.8° | 109.9° |
| N2 | C7 | N3 | 128.0° | 134.5° |
| N2 | C7 | C10 | 106.8° | 106.9° |
| N6 | C11 | C10 | 109.5° | 107.4° |
| N6 | C11 | C12 | 118.7° | 126.3° |
| N3 | C7 | C10 | 125.2° | 118.6° |
| C7 | N3 | C8 | 112.7° | 120.7° |
| C7 | C10 | C11 | 105.8° | 106.5° |
| C7 | C10 | C9 | 116.0° | 118.5° |
| N3 | C8 | N4 | 128.8° | 122.7° |
| N3 | C8 | H10 | 115.6° | 118.7° |
| C10 | C11 | C12 | 131.7° | 126.3° |
| C11 | C10 | C9 | 138.2° | 135.0° |
| C11 | C12 | C23 | 120.7° | 120.1° |
| C11 | C12 | C13 | 120.7° | 120.1° |
| C10 | C9 | N4 | 119.1° | 118.3° |
| C10 | C9 | N5 | 122.9° | 120.8° |
| C8 | N4 | C9 | 118.2° | 121.1° |
| N4 | C8 | H10 | 115.6° | 118.6° |
| C12 | C23 | C22 | 120.7° | 119.9° |
| C23 | C12 | C13 | 118.6° | 119.8° |
| C12 | C23 | H18 | 119.7° | 120.0° |
| C23 | C22 | C15 | 119.6° | 120.1° |
| C23 | C22 | H17 | 120.2° | 119.9° |
| C22 | C23 | H18 | 119.6° | 120.1° |
| C12 | C13 | C14 | 120.6° | 119.9° |
| C12 | C13 | H11 | 119.6° | 120.0° |
| C17 | C18 | C19 | 120.7° | 120.0° |
| C18 | C17 | C16 | 118.9° | 119.9° |
| C18 | C17 | H13 | 120.5° | 120.0° |
| C17 | C18 | H14 | 119.7° | 120.0° |
| C18 | C19 | C20 | 119.6° | 120.1° |
| C19 | C18 | H14 | 119.7° | 119.9° |
| C18 | C19 | H15 | 120.2° | 119.9° |
| C17 | C16 | O1 | 121.0° | 120.0° |
| C17 | C16 | C21 | 121.1° | 119.9° |
| C16 | C17 | H13 | 120.6° | 120.1° |
| C22 | C15 | C14 | 120.7° | 120.1° |
| C22 | C15 | O1 | 121.4° | 119.9° |
| C15 | C22 | H17 | 120.2° | 120.0° |
| C13 | C14 | C15 | 119.7° | 120.1° |
| C14 | C13 | H11 | 119.7° | 120.1° |
| C13 | C14 | H12 | 120.2° | 119.9° |
| N4 | C9 | N5 | 118.0° | 120.9° |
| C9 | N5 | H24 | 109.5° | 119.9° |
| C9 | N5 | H25 | 109.5° | 120.1° |
| C14 | C15 | O1 | 117.8° | 119.9° |
| C15 | C14 | H12 | 120.2° | 120.0° |
| C15 | O1 | C16 | 122.3° | 118.0° |
| C19 | C20 | C21 | 120.5° | 120.1° |
| C20 | C19 | H15 | 120.2° | 120.0° |
| C19 | C20 | H16 | 119.7° | 119.9° |
| O1 | C16 | C21 | 117.9° | 120.1° |
| C16 | C21 | C20 | 119.1° | 119.9° |
| C16 | C21 | H19 | 120.4° | 120.0° |
| C21 | C20 | H16 | 119.8° | 120.0° |
| C20 | C21 | H19 | 120.5° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H8 | C4 | H9 | 109.5° | 109.5° |
| H20 | C5 | H21 | 109.4° | 109.6° |
| H24 | N5 | H25 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C2 | C4 | 122.4° | 124.1° |
| C1 | N1 | C2 | C3 | 178.2° | 174.2° |
| C1 | N1 | C4 | C5 | 177.9° | 174.1° |
| N1 | C1 | H1 | H2 | 120.0° | 119.9° |
| N1 | C1 | H1 | H3 | 120.0° | 120.0° |
| N1 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | N1 | C2 | H4 | 61.6° | 54.1° |
| C1 | N1 | C2 | H5 | 57.9° | 65.9° |
| C1 | N1 | C4 | H8 | 57.7° | 65.8° |
| C1 | N1 | C4 | H9 | 61.8° | 54.2° |
| N1 | C2 | C3 | H4 | 120.3° | 120.1° |
| N1 | C2 | C3 | H5 | 120.3° | 120.0° |
| C2 | N1 | C4 | C5 | 59.4° | 61.8° |
| N1 | C2 | C3 | C6 | 57.0° | 59.1° |
| C2 | N1 | C1 | H1 | 180.0° | 60.1° |
| C2 | N1 | C1 | H2 | 60.0° | 180.0° |
| C2 | N1 | C1 | H3 | 60.0° | 60.0° |
| N1 | C2 | H4 | H5 | 119.2° | 120.0° |
| N1 | C2 | C3 | H6 | 177.0° | 179.1° |
| N1 | C2 | C3 | H7 | 63.0° | 60.8° |
| C2 | N1 | C4 | H8 | 179.7° | 58.3° |
| C2 | N1 | C4 | H9 | 60.8° | 178.3° |
| C3 | C2 | N1 | C4 | 59.5° | 61.7° |
| C2 | C3 | C6 | H6 | 120.0° | 119.9° |
| C2 | C3 | C6 | H7 | 120.0° | 119.9° |
| C2 | C3 | C6 | C5 | 55.0° | 57.7° |
| C2 | C3 | C6 | N2 | 178.5° | 177.6° |
| C3 | C2 | H4 | H5 | 119.2° | 119.9° |
| C2 | C3 | H6 | H7 | 119.9° | 120.1° |
| C2 | C3 | C6 | H22 | 62.5° | 62.3° |
| N1 | C4 | C5 | H8 | 120.2° | 120.1° |
| N1 | C4 | C5 | H9 | 120.2° | 120.0° |
| N1 | C4 | C5 | C6 | 57.2° | 59.2° |
| C4 | N1 | C1 | H1 | 57.1° | 64.2° |
| C4 | N1 | C1 | H2 | 177.1° | 55.8° |
| C4 | N1 | C1 | H3 | 62.9° | 175.8° |
| C4 | N1 | C2 | H4 | 60.8° | 178.3° |
| C4 | N1 | C2 | H5 | 179.7° | 58.3° |
| N1 | C4 | H8 | H9 | 119.3° | 120.0° |
| N1 | C4 | C5 | H20 | 62.9° | 60.7° |
| N1 | C4 | C5 | H21 | 177.3° | 179.1° |
| C4 | C5 | C6 | C3 | 55.2° | 57.7° |
| C4 | C5 | C6 | H20 | 120.1° | 119.9° |
| C4 | C5 | C6 | H21 | 120.1° | 119.9° |
| C4 | C5 | C6 | N2 | 179.5° | 177.6° |
| C5 | C4 | H8 | H9 | 119.3° | 119.9° |
| C4 | C5 | H20 | H21 | 119.8° | 120.1° |
| C4 | C5 | C6 | H22 | 62.3° | 62.3° |
| C3 | C6 | C5 | N2 | 124.3° | 119.9° |
| C3 | C6 | C5 | H22 | 117.5° | 120.0° |
| C3 | C6 | N2 | H22 | 118.6° | 120.2° |
| C3 | C6 | N2 | N6 | 27.4° | 60.0° |
| C3 | C6 | N2 | C7 | 153.8° | 120.0° |
| C6 | C3 | C2 | H4 | 63.2° | 179.2° |
| C6 | C3 | C2 | H5 | 177.3° | 60.8° |
| C6 | C3 | H6 | H7 | 119.9° | 120.1° |
| C3 | C6 | C5 | H20 | 64.9° | 62.2° |
| C3 | C6 | C5 | H21 | 175.3° | 177.6° |
| C5 | C6 | N2 | H22 | 117.9° | 120.1° |
| C5 | C6 | N2 | N6 | 96.2° | 59.7° |
| C5 | C6 | N2 | C7 | 82.6° | 120.3° |
| C5 | C6 | C3 | H6 | 175.0° | 177.6° |
| C5 | C6 | C3 | H7 | 65.1° | 62.3° |
| C6 | C5 | C4 | H8 | 177.4° | 60.8° |
| C6 | C5 | C4 | H9 | 63.1° | 179.2° |
| C6 | C5 | H20 | H21 | 119.7° | 120.2° |
| C6 | N2 | N6 | C7 | 179.0° | 180.0° |
| C6 | N2 | N6 | C11 | 178.9° | 180.0° |
| C6 | N2 | C7 | N3 | 0.6° | 0.0° |
| C6 | N2 | C7 | C10 | 179.5° | 180.0° |
| N2 | C6 | C3 | H6 | 61.5° | 62.5° |
| N2 | C6 | C3 | H7 | 58.5° | 57.6° |
| N2 | C6 | C5 | H20 | 59.4° | 57.7° |
| N2 | C6 | C5 | H21 | 60.4° | 62.5° |
| N6 | N2 | C7 | N3 | 179.5° | 180.0° |
| N6 | N2 | C7 | C10 | 0.6° | 0.0° |
| N2 | N6 | C11 | C10 | 0.8° | 0.1° |
| N2 | N6 | C11 | C12 | 178.8° | 180.0° |
| N6 | N2 | C6 | H22 | 146.0° | 179.8° |
| C7 | N2 | N6 | C11 | 0.1° | 0.1° |
| N2 | C7 | N3 | C10 | 179.9° | 180.0° |
| N2 | C7 | N3 | C8 | 179.8° | 180.0° |
| N2 | C7 | C10 | C11 | 1.1° | 0.0° |
| N2 | C7 | C10 | C9 | 179.7° | 180.0° |
| C7 | N2 | C6 | H22 | 35.2° | 0.2° |
| N6 | C11 | C10 | C7 | 1.2° | 0.1° |
| N6 | C11 | C10 | C12 | 177.6° | 180.0° |
| N6 | C11 | C10 | C9 | 179.4° | 180.0° |
| N6 | C11 | C12 | C23 | 49.0° | 44.8° |
| N6 | C11 | C12 | C13 | 132.0° | 134.9° |
| N3 | C7 | C10 | C11 | 179.0° | 180.0° |
| N3 | C7 | C10 | C9 | 0.4° | 0.0° |
| C7 | N3 | C8 | N4 | 0.3° | 0.0° |
| C7 | N3 | C8 | H10 | 179.7° | 180.0° |
| C10 | C7 | N3 | C8 | 0.0° | 0.0° |
| C7 | C10 | C11 | C9 | 178.2° | 179.9° |
| C7 | C10 | C11 | C12 | 178.8° | 180.0° |
| C7 | C10 | C9 | N4 | 0.6° | 0.0° |
| C7 | C10 | C9 | N5 | 179.6° | 180.0° |
| N3 | C8 | N4 | H10 | 180.0° | 180.0° |
| N3 | C8 | N4 | C9 | 0.0° | 0.0° |
| C10 | C11 | C12 | C23 | 133.5° | 135.3° |
| C10 | C11 | C12 | C13 | 45.5° | 45.0° |
| C11 | C10 | C9 | N4 | 178.7° | 180.0° |
| C11 | C10 | C9 | N5 | 1.5° | 0.1° |
| C12 | C11 | C10 | C9 | 3.0° | 0.0° |
| C11 | C12 | C23 | C13 | 179.0° | 179.7° |
| C11 | C12 | C23 | C22 | 179.2° | 179.7° |
| C11 | C12 | C13 | C14 | 179.6° | 179.9° |
| C11 | C12 | C13 | H11 | 0.4° | 0.1° |
| C11 | C12 | C23 | H18 | 0.8° | 0.0° |
| C10 | C9 | N4 | C8 | 0.5° | 0.0° |
| C10 | C9 | N4 | N5 | 179.8° | 180.0° |
| C10 | C9 | N5 | H24 | 179.8° | 164.3° |
| C10 | C9 | N5 | H25 | 59.7° | 15.7° |
| C8 | N4 | C9 | N5 | 179.8° | 180.0° |
| C12 | C23 | C22 | H18 | 180.0° | 179.7° |
| C12 | C23 | C22 | C15 | 0.8° | 0.6° |
| C23 | C12 | C13 | C14 | 0.6° | 0.4° |
| C23 | C12 | C13 | H11 | 179.4° | 179.8° |
| C12 | C23 | C22 | H17 | 179.2° | 179.7° |
| C22 | C23 | C12 | C13 | 0.2° | 0.6° |
| C23 | C22 | C15 | H17 | 180.0° | 179.7° |
| C23 | C22 | C15 | C14 | 1.5° | 0.3° |
| C23 | C22 | C15 | O1 | 179.6° | 179.7° |
| C12 | C13 | C14 | H11 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.0° | 0.1° |
| C12 | C13 | C14 | H12 | 180.0° | 180.0° |
| C13 | C12 | C23 | H18 | 179.8° | 179.7° |
| C17 | C18 | C19 | H14 | 180.0° | 179.9° |
| C18 | C17 | C16 | H13 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.5° | 0.1° |
| C18 | C17 | C16 | O1 | 180.0° | 180.0° |
| C18 | C17 | C16 | C21 | 0.5° | 0.3° |
| C17 | C18 | C19 | H15 | 179.4° | 180.0° |
| C19 | C18 | C17 | C16 | 0.6° | 0.0° |
| C18 | C19 | C20 | H15 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.4° | 0.2° |
| C19 | C18 | C17 | H13 | 179.4° | 179.9° |
| C18 | C19 | C20 | H16 | 179.7° | 180.0° |
| C17 | C16 | O1 | C15 | 58.2° | 1.7° |
| C17 | C16 | O1 | C21 | 179.5° | 179.7° |
| C17 | C16 | C21 | C20 | 0.3° | 0.7° |
| C16 | C17 | C18 | H14 | 179.4° | 179.9° |
| C17 | C16 | C21 | H19 | 179.6° | 179.7° |
| C22 | C15 | C14 | C13 | 1.1° | 0.0° |
| C22 | C15 | C14 | O1 | 178.2° | 180.0° |
| C22 | C15 | O1 | C16 | 14.4° | 90.0° |
| C22 | C15 | C14 | H12 | 178.9° | 179.9° |
| C15 | C22 | C23 | H18 | 179.1° | 179.7° |
| C13 | C14 | C15 | H12 | 180.0° | 179.9° |
| C13 | C14 | C15 | O1 | 179.3° | 180.0° |
| C9 | N4 | C8 | H10 | 180.0° | 180.0° |
| N4 | C9 | N5 | H24 | 0.0° | 15.7° |
| N4 | C9 | N5 | H25 | 120.0° | 164.3° |
| C9 | N5 | H24 | H25 | 120.0° | 180.0° |
| C14 | C15 | O1 | C16 | 167.4° | 90.0° |
| C15 | C14 | C13 | H11 | 180.0° | 179.9° |
| C14 | C15 | C22 | H17 | 178.5° | 180.0° |
| C15 | O1 | C16 | C21 | 121.2° | 178.7° |
| O1 | C15 | C14 | H12 | 0.7° | 0.1° |
| O1 | C15 | C22 | H17 | 0.4° | 0.0° |
| C19 | C20 | C21 | C16 | 0.3° | 0.6° |
| C19 | C20 | C21 | H16 | 180.0° | 179.8° |
| C20 | C19 | C18 | H14 | 179.5° | 180.0° |
| C19 | C20 | C21 | H19 | 179.7° | 179.8° |
| O1 | C16 | C21 | C20 | 179.8° | 179.7° |
| O1 | C16 | C17 | H13 | 0.0° | 0.1° |
| O1 | C16 | C21 | H19 | 0.2° | 0.1° |
| C16 | C21 | C20 | H19 | 180.0° | 179.6° |
| C21 | C16 | C17 | H13 | 179.5° | 179.7° |
| C16 | C21 | C20 | H16 | 179.8° | 179.6° |
| C21 | C20 | C19 | H15 | 179.6° | 179.7° |
| H1 | C1 | H2 | H3 | 120.0° | 120.1° |
| H4 | C2 | C3 | H6 | 56.8° | 60.8° |
| H4 | C2 | C3 | H7 | 176.7° | 59.3° |
| H5 | C2 | C3 | H6 | 62.7° | 59.1° |
| H5 | C2 | C3 | H7 | 57.3° | 179.2° |
| H6 | C3 | C6 | H22 | 57.5° | 57.6° |
| H7 | C3 | C6 | H22 | 177.4° | 177.8° |
| H8 | C4 | C5 | H20 | 57.3° | 179.3° |
| H8 | C4 | C5 | H21 | 62.5° | 59.1° |
| H9 | C4 | C5 | H20 | 176.9° | 59.3° |
| H9 | C4 | C5 | H21 | 57.0° | 60.9° |
| H11 | C13 | C14 | H12 | 0.0° | 0.2° |
| H13 | C17 | C18 | H14 | 0.6° | 0.0° |
| H14 | C18 | C19 | H15 | 0.6° | 0.1° |
| H15 | C19 | C20 | H16 | 0.4° | 0.1° |
| H16 | C20 | C21 | H19 | 0.3° | 0.0° |
| H17 | C22 | C23 | H18 | 0.8° | 0.0° |
| H20 | C5 | C6 | H22 | 177.6° | 177.8° |
| H21 | C5 | C6 | H22 | 57.8° | 57.6° |
