C8W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C5 | sing | 1.35Å | 1.35Å | |
| O26 | C5 | doub | 1.22Å | 1.22Å | |
| C5 | C4 | sing | 1.42Å | 1.43Å | |
| C4 | S3 | sing | 1.75Å | 1.75Å | Aromatic |
| C4 | C15 | doub | 1.36Å | 1.37Å | Aromatic |
| S3 | C13 | sing | 1.76Å | 1.75Å | Aromatic |
| C15 | N16 | sing | 1.39Å | 1.40Å | |
| C15 | C14 | sing | 1.45Å | 1.47Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.41Å | Aromatic |
| C13 | N10 | sing | 1.34Å | 1.34Å | Aromatic |
| C14 | C23 | sing | 1.42Å | 1.44Å | Aromatic |
| N10 | C8 | doub | 1.32Å | 1.31Å | Aromatic |
| C23 | C21 | sing | 1.48Å | 1.49Å | |
| C23 | C9 | doub | 1.40Å | 1.42Å | Aromatic |
| C8 | C9 | sing | 1.41Å | 1.42Å | Aromatic |
| C8 | N7 | sing | 1.38Å | 1.38Å | |
| O31 | C29 | doub | 1.21Å | 1.35Å | |
| C20 | C21 | doub | 1.40Å | 1.41Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | C11 | sing | 1.43Å | 1.45Å | |
| C19 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C18 | O24 | sing | 1.36Å | 1.38Å | |
| C17 | O2 | sing | 1.36Å | 1.37Å | |
| C29 | O30 | sing | 1.34Å | 1.21Å | |
| C29 | C28 | sing | 1.51Å | 1.52Å | |
| C11 | N12 | trip | 1.14Å | 1.14Å | |
| C25 | O24 | sing | 1.43Å | 1.43Å | |
| O2 | C1 | sing | 1.43Å | 1.44Å | |
| C1 | C27 | sing | 1.53Å | 1.54Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| N6 | H3 | sing | 0.97Å | 1.00Å | |
| N6 | H4 | sing | 0.97Å | 1.00Å | |
| C19 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H7 | sing | 1.08Å | 1.08Å | |
| C27 | H8 | sing | 1.09Å | 1.10Å | |
| C27 | H9 | sing | 1.09Å | 1.10Å | |
| N7 | H10 | sing | 0.97Å | 1.00Å | |
| N7 | H11 | sing | 0.97Å | 1.00Å | |
| N16 | H12 | sing | 0.97Å | 1.00Å | |
| N16 | H13 | sing | 0.97Å | 1.00Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| O30 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | C5 | O26 | 118.0° | 120.1° |
| N6 | C5 | C4 | 120.3° | 120.0° |
| C5 | N6 | H3 | 120.0° | 120.0° |
| C5 | N6 | H4 | 120.0° | 120.0° |
| O26 | C5 | C4 | 121.7° | 119.9° |
| C5 | C4 | S3 | 123.5° | 124.5° |
| C5 | C4 | C15 | 126.3° | 124.5° |
| S3 | C4 | C15 | 110.2° | 111.0° |
| C4 | S3 | C13 | 93.4° | 92.5° |
| C4 | C15 | N16 | 121.4° | 123.0° |
| C4 | C15 | C14 | 114.6° | 114.1° |
| S3 | C13 | C14 | 110.5° | 110.0° |
| S3 | C13 | N10 | 127.7° | 129.5° |
| N16 | C15 | C14 | 124.0° | 122.9° |
| C15 | N16 | H12 | 109.5° | 120.1° |
| C15 | N16 | H13 | 109.5° | 120.0° |
| C15 | C14 | C13 | 111.3° | 112.4° |
| C15 | C14 | C23 | 131.3° | 129.0° |
| C14 | C13 | N10 | 121.7° | 120.5° |
| C13 | C14 | C23 | 117.4° | 118.6° |
| C13 | N10 | C8 | 122.4° | 122.8° |
| C14 | C23 | C21 | 121.2° | 120.8° |
| C14 | C23 | C9 | 118.8° | 118.5° |
| N10 | C8 | C9 | 121.0° | 120.8° |
| N10 | C8 | N7 | 117.1° | 119.6° |
| C21 | C23 | C9 | 120.0° | 120.8° |
| C23 | C21 | C20 | 122.6° | 120.1° |
| C23 | C21 | C22 | 118.3° | 120.1° |
| C23 | C9 | C8 | 118.5° | 118.9° |
| C23 | C9 | C11 | 120.0° | 120.6° |
| C9 | C8 | N7 | 121.9° | 119.6° |
| C8 | C9 | C11 | 121.4° | 120.6° |
| C8 | N7 | H10 | 109.5° | 119.9° |
| C8 | N7 | H11 | 109.5° | 120.0° |
| O31 | C29 | O30 | 119.7° | 120.1° |
| O31 | C29 | C28 | 120.1° | 120.0° |
| C21 | C20 | C19 | 119.7° | 120.0° |
| C20 | C21 | C22 | 119.1° | 119.8° |
| C21 | C20 | H6 | 120.2° | 120.0° |
| C20 | C19 | C18 | 121.4° | 120.1° |
| C20 | C19 | H5 | 119.3° | 119.9° |
| C19 | C20 | H6 | 120.1° | 120.0° |
| C21 | C22 | C17 | 121.1° | 119.8° |
| C21 | C22 | H7 | 119.4° | 120.1° |
| C9 | C11 | N12 | 177.9° | 180.0° |
| C19 | C18 | C17 | 119.0° | 120.1° |
| C19 | C18 | O24 | 122.1° | 119.9° |
| C18 | C19 | H5 | 119.3° | 119.9° |
| C22 | C17 | C18 | 119.7° | 120.0° |
| C22 | C17 | O2 | 120.5° | 120.0° |
| C17 | C22 | H7 | 119.4° | 120.1° |
| C17 | C18 | O24 | 118.9° | 119.9° |
| C18 | C17 | O2 | 119.9° | 120.0° |
| C18 | O24 | C25 | 122.4° | 117.0° |
| C17 | O2 | C1 | 120.4° | 117.0° |
| O30 | C29 | C28 | 120.2° | 119.9° |
| C29 | O30 | H19 | 109.5° | 116.9° |
| C29 | C28 | C27 | 112.5° | 109.4° |
| C29 | C28 | H17 | 108.7° | 109.5° |
| C29 | C28 | H18 | 108.7° | 109.4° |
| O24 | C25 | H14 | 109.5° | 109.5° |
| O24 | C25 | H15 | 109.5° | 109.5° |
| O24 | C25 | H16 | 109.5° | 109.5° |
| O2 | C1 | C27 | 111.3° | 109.5° |
| O2 | C1 | H1 | 109.0° | 109.4° |
| O2 | C1 | H2 | 109.0° | 109.5° |
| C1 | C27 | C28 | 111.7° | 109.5° |
| C27 | C1 | H1 | 109.0° | 109.5° |
| C27 | C1 | H2 | 109.0° | 109.5° |
| C1 | C27 | H8 | 108.9° | 109.5° |
| C1 | C27 | H9 | 108.9° | 109.5° |
| C28 | C27 | H8 | 108.9° | 109.5° |
| C28 | C27 | H9 | 108.9° | 109.5° |
| C27 | C28 | H17 | 108.7° | 109.5° |
| C27 | C28 | H18 | 108.7° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | N6 | H4 | 120.0° | 120.0° |
| H8 | C27 | H9 | 109.5° | 109.4° |
| H10 | N7 | H11 | 109.5° | 120.1° |
| H12 | N16 | H13 | 109.4° | 120.0° |
| H14 | C25 | H15 | 109.5° | 109.4° |
| H14 | C25 | H16 | 109.5° | 109.4° |
| H15 | C25 | H16 | 109.5° | 109.5° |
| H17 | C28 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C5 | O26 | C4 | 177.1° | 180.0° |
| N6 | C5 | C4 | S3 | 2.4° | 0.0° |
| N6 | C5 | C4 | C15 | 176.6° | 178.7° |
| C5 | N6 | H3 | H4 | 180.0° | 180.0° |
| O26 | C5 | C4 | S3 | 179.4° | 180.0° |
| O26 | C5 | C4 | C15 | 0.4° | 1.3° |
| O26 | C5 | N6 | H3 | 0.0° | 180.0° |
| O26 | C5 | N6 | H4 | 180.0° | 0.0° |
| C5 | C4 | S3 | C15 | 179.1° | 178.9° |
| C5 | C4 | S3 | C13 | 178.3° | 180.0° |
| C5 | C4 | C15 | N16 | 1.3° | 0.3° |
| C5 | C4 | C15 | C14 | 178.3° | 179.7° |
| C4 | C5 | N6 | H3 | 177.1° | 0.1° |
| C4 | C5 | N6 | H4 | 2.9° | 180.0° |
| S3 | C4 | C15 | N16 | 179.7° | 179.1° |
| S3 | C4 | C15 | C14 | 0.7° | 0.9° |
| C4 | S3 | C13 | C14 | 0.6° | 1.1° |
| C4 | S3 | C13 | N10 | 179.6° | 179.8° |
| C15 | C4 | S3 | C13 | 0.8° | 1.1° |
| C4 | C15 | N16 | C14 | 179.6° | 180.0° |
| C4 | C15 | C14 | C13 | 0.3° | 0.1° |
| C4 | C15 | C14 | C23 | 178.3° | 179.1° |
| C4 | C15 | N16 | H12 | 180.0° | 162.6° |
| C4 | C15 | N16 | H13 | 60.0° | 17.3° |
| S3 | C13 | C14 | C15 | 0.3° | 0.8° |
| S3 | C13 | C14 | N10 | 179.0° | 179.2° |
| S3 | C13 | C14 | C23 | 179.1° | 180.0° |
| S3 | C13 | N10 | C8 | 178.4° | 179.6° |
| N16 | C15 | C14 | C13 | 179.9° | 180.0° |
| N16 | C15 | C14 | C23 | 1.3° | 0.9° |
| C15 | N16 | H12 | H13 | 120.0° | 179.9° |
| C15 | C14 | C13 | C23 | 178.8° | 179.3° |
| C15 | C14 | C13 | N10 | 179.3° | 180.0° |
| C15 | C14 | C23 | C21 | 1.8° | 0.9° |
| C15 | C14 | C23 | C9 | 180.0° | 179.6° |
| C14 | C15 | N16 | H12 | 0.4° | 17.4° |
| C14 | C15 | N16 | H13 | 119.5° | 162.7° |
| C14 | C13 | N10 | C8 | 0.5° | 0.5° |
| C13 | C14 | C23 | C21 | 179.7° | 180.0° |
| C13 | C14 | C23 | C9 | 1.5° | 0.5° |
| N10 | C13 | C14 | C23 | 1.9° | 0.8° |
| C13 | N10 | C8 | C9 | 3.2° | 0.0° |
| C13 | N10 | C8 | N7 | 178.1° | 179.7° |
| C14 | C23 | C21 | C9 | 178.1° | 179.5° |
| C14 | C23 | C9 | C8 | 1.0° | 0.0° |
| C14 | C23 | C21 | C20 | 107.8° | 69.9° |
| C14 | C23 | C21 | C22 | 74.5° | 110.0° |
| C14 | C23 | C9 | C11 | 179.6° | 180.0° |
| N10 | C8 | C9 | C23 | 3.4° | 0.3° |
| N10 | C8 | C9 | N7 | 178.7° | 179.7° |
| N10 | C8 | C9 | C11 | 178.0° | 179.8° |
| N10 | C8 | N7 | H10 | 0.0° | 179.8° |
| N10 | C8 | N7 | H11 | 120.0° | 0.3° |
| C21 | C23 | C9 | C8 | 177.2° | 179.5° |
| C23 | C21 | C20 | C22 | 177.6° | 179.9° |
| C23 | C21 | C20 | C19 | 179.1° | 180.0° |
| C21 | C23 | C9 | C11 | 1.5° | 0.5° |
| C23 | C21 | C22 | C17 | 179.9° | 180.0° |
| C23 | C21 | C20 | H6 | 1.0° | 0.1° |
| C23 | C21 | C22 | H7 | 0.1° | 0.1° |
| C23 | C9 | C8 | C11 | 178.7° | 179.9° |
| C23 | C9 | C8 | N7 | 177.9° | 180.0° |
| C9 | C23 | C21 | C20 | 74.0° | 109.6° |
| C9 | C23 | C21 | C22 | 103.6° | 70.5° |
| C23 | C9 | C11 | N12 | 15.8° | 66.3° |
| C8 | C9 | C11 | N12 | 165.6° | 113.7° |
| C9 | C8 | N7 | H10 | 178.7° | 0.1° |
| C9 | C8 | N7 | H11 | 58.7° | 180.0° |
| N7 | C8 | C9 | C11 | 0.7° | 0.1° |
| C8 | N7 | H10 | H11 | 120.0° | 179.9° |
| O31 | C29 | O30 | C28 | 179.6° | 180.0° |
| O31 | C29 | C28 | C27 | 101.0° | 0.1° |
| O31 | C29 | C28 | H17 | 19.4° | 119.9° |
| O31 | C29 | C28 | H18 | 138.5° | 120.0° |
| O31 | C29 | O30 | H19 | 0.0° | 0.0° |
| C21 | C20 | C19 | H6 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 0.4° | 0.0° |
| C20 | C21 | C22 | C17 | 2.2° | 0.1° |
| C21 | C20 | C19 | H5 | 179.6° | 179.7° |
| C20 | C21 | C22 | H7 | 177.8° | 180.0° |
| C19 | C20 | C21 | C22 | 1.5° | 0.0° |
| C20 | C19 | C18 | H5 | 180.0° | 179.7° |
| C20 | C19 | C18 | C17 | 1.6° | 0.0° |
| C20 | C19 | C18 | O24 | 179.4° | 179.7° |
| C21 | C22 | C17 | H7 | 180.0° | 179.9° |
| C21 | C22 | C17 | C18 | 1.0° | 0.1° |
| C21 | C22 | C17 | O2 | 179.6° | 180.0° |
| C22 | C21 | C20 | H6 | 178.6° | 180.0° |
| C19 | C18 | C17 | C22 | 0.9° | 0.1° |
| C19 | C18 | C17 | O24 | 179.0° | 179.7° |
| C19 | C18 | C17 | O2 | 178.5° | 180.0° |
| C19 | C18 | O24 | C25 | 3.4° | 0.0° |
| C18 | C19 | C20 | H6 | 179.6° | 180.0° |
| C22 | C17 | C18 | O2 | 179.4° | 179.9° |
| C22 | C17 | C18 | O24 | 179.9° | 179.7° |
| C22 | C17 | O2 | C1 | 0.9° | 0.0° |
| C17 | C18 | O24 | C25 | 177.6° | 179.7° |
| C18 | C17 | O2 | C1 | 179.7° | 180.0° |
| C17 | C18 | C19 | H5 | 178.4° | 179.7° |
| C18 | C17 | C22 | H7 | 179.0° | 180.0° |
| O24 | C18 | C17 | O2 | 0.5° | 0.3° |
| O24 | C18 | C19 | H5 | 0.6° | 0.0° |
| C18 | O24 | C25 | H14 | 180.0° | 180.0° |
| C18 | O24 | C25 | H15 | 60.0° | 60.1° |
| C18 | O24 | C25 | H16 | 60.0° | 60.0° |
| C17 | O2 | C1 | C27 | 162.0° | 180.0° |
| C17 | O2 | C1 | H1 | 77.7° | 60.0° |
| C17 | O2 | C1 | H2 | 41.7° | 60.0° |
| O2 | C17 | C22 | H7 | 0.4° | 0.0° |
| O30 | C29 | C28 | C27 | 79.4° | 180.0° |
| O30 | C29 | C28 | H17 | 160.2° | 60.0° |
| O30 | C29 | C28 | H18 | 41.1° | 60.1° |
| C29 | C28 | C27 | C1 | 71.3° | 180.0° |
| C29 | C28 | C27 | H17 | 120.4° | 120.0° |
| C29 | C28 | C27 | H18 | 120.5° | 119.9° |
| C29 | C28 | C27 | H8 | 49.0° | 60.0° |
| C29 | C28 | C27 | H9 | 168.4° | 60.0° |
| C29 | C28 | H17 | H18 | 118.6° | 120.0° |
| C28 | C29 | O30 | H19 | 179.6° | 180.0° |
| O24 | C25 | H14 | H15 | 120.0° | 120.0° |
| O24 | C25 | H14 | H16 | 120.0° | 120.0° |
| O24 | C25 | H15 | H16 | 120.0° | 120.1° |
| O2 | C1 | C27 | H1 | 120.3° | 119.9° |
| O2 | C1 | C27 | H2 | 120.3° | 120.0° |
| O2 | C1 | C27 | C28 | 75.0° | 180.0° |
| O2 | C1 | H1 | H2 | 119.2° | 120.0° |
| O2 | C1 | C27 | H8 | 164.7° | 59.9° |
| O2 | C1 | C27 | H9 | 45.3° | 60.0° |
| C1 | C27 | C28 | H8 | 120.3° | 120.0° |
| C1 | C27 | C28 | H9 | 120.3° | 120.0° |
| C27 | C1 | H1 | H2 | 119.1° | 120.1° |
| C1 | C27 | H8 | H9 | 119.0° | 120.0° |
| C1 | C27 | C28 | H17 | 49.1° | 60.0° |
| C1 | C27 | C28 | H18 | 168.2° | 60.1° |
| C28 | C27 | C1 | H1 | 45.3° | 60.1° |
| C28 | C27 | C1 | H2 | 164.7° | 60.0° |
| C28 | C27 | H8 | H9 | 119.0° | 120.0° |
| C27 | C28 | H17 | H18 | 118.6° | 120.0° |
| H1 | C1 | C27 | H8 | 75.0° | 60.0° |
| H1 | C1 | C27 | H9 | 165.6° | 180.0° |
| H2 | C1 | C27 | H8 | 44.4° | 179.9° |
| H2 | C1 | C27 | H9 | 74.9° | 60.0° |
| H5 | C19 | C20 | H6 | 0.5° | 0.3° |
| H8 | C27 | C28 | H17 | 169.5° | 180.0° |
| H8 | C27 | C28 | H18 | 71.4° | 60.0° |
| H9 | C27 | C28 | H17 | 71.2° | 60.0° |
| H9 | C27 | C28 | H18 | 47.9° | 179.9° |
| H14 | C25 | H15 | H16 | 120.0° | 120.0° |
