B9Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O30 | C28 | doub | 1.21Å | 1.26Å | |
| O25 | C23 | doub | 1.21Å | 1.25Å | |
| O24 | C23 | sing | 1.34Å | 1.27Å | |
| C28 | O29 | sing | 1.34Å | 1.26Å | |
| C28 | C27 | sing | 1.51Å | 1.53Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | C22 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | sing | 1.51Å | 1.53Å | |
| C22 | C21 | sing | 1.51Å | 1.54Å | |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| O14 | C4 | sing | 1.36Å | 1.40Å | |
| O14 | C15 | sing | 1.43Å | 1.41Å | |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C7 | sing | 1.48Å | 1.52Å | |
| C1 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | S13 | sing | 1.76Å | 1.81Å | |
| C10 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | S13 | sing | 1.76Å | 1.81Å | |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.08Å | 1.08Å | |
| O24 | H21 | sing | 0.97Å | 0.95Å | |
| O29 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O30 | C28 | O29 | 120.2° | 120.0° |
| O30 | C28 | C27 | 119.8° | 120.0° |
| O25 | C23 | O24 | 119.9° | 120.1° |
| O25 | C23 | C22 | 119.3° | 120.0° |
| O24 | C23 | C22 | 120.8° | 120.0° |
| C23 | O24 | H21 | 109.5° | 116.9° |
| O29 | C28 | C27 | 120.0° | 120.0° |
| C28 | O29 | H22 | 109.5° | 117.0° |
| C28 | C27 | C26 | 112.2° | 109.5° |
| C28 | C27 | H18 | 108.8° | 109.4° |
| C28 | C27 | H19 | 108.8° | 109.5° |
| C27 | C26 | C22 | 112.3° | 109.5° |
| C27 | C26 | H16 | 108.8° | 109.5° |
| C27 | C26 | H17 | 108.8° | 109.4° |
| C26 | C27 | H18 | 108.8° | 109.5° |
| C26 | C27 | H19 | 108.8° | 109.5° |
| C26 | C22 | C23 | 108.5° | 109.5° |
| C26 | C22 | C21 | 111.4° | 109.5° |
| C26 | C22 | H5 | 108.4° | 109.4° |
| C22 | C26 | H16 | 108.8° | 109.5° |
| C22 | C26 | H17 | 108.8° | 109.5° |
| C23 | C22 | C21 | 111.8° | 109.5° |
| C23 | C22 | H5 | 108.5° | 109.5° |
| C22 | C21 | C20 | 121.3° | 120.1° |
| C22 | C21 | C16 | 120.2° | 120.0° |
| C21 | C22 | H5 | 108.3° | 109.5° |
| C20 | C21 | C16 | 118.5° | 119.9° |
| C21 | C20 | C19 | 120.6° | 120.1° |
| C21 | C20 | H4 | 119.7° | 119.9° |
| C21 | C16 | S13 | 120.2° | 120.1° |
| C21 | C16 | C17 | 121.0° | 119.9° |
| C2 | C3 | C4 | 119.8° | 120.0° |
| C3 | C2 | C1 | 120.7° | 120.0° |
| C2 | C3 | H8 | 120.1° | 120.0° |
| C3 | C2 | H9 | 119.7° | 120.0° |
| C3 | C4 | O14 | 119.0° | 119.9° |
| C3 | C4 | C5 | 119.7° | 120.2° |
| C4 | C3 | H8 | 120.1° | 120.0° |
| C20 | C19 | C18 | 120.6° | 120.2° |
| C19 | C20 | H4 | 119.7° | 120.0° |
| C20 | C19 | H7 | 119.7° | 119.9° |
| C2 | C1 | C7 | 120.4° | 120.1° |
| C2 | C1 | C6 | 119.7° | 119.9° |
| C1 | C2 | H9 | 119.7° | 120.0° |
| C4 | O14 | C15 | 115.3° | 117.0° |
| O14 | C4 | C5 | 121.3° | 119.9° |
| O14 | C15 | H11 | 109.5° | 109.4° |
| O14 | C15 | H12 | 109.5° | 109.5° |
| O14 | C15 | H13 | 109.5° | 109.5° |
| C11 | C12 | C7 | 119.4° | 119.9° |
| C12 | C11 | C10 | 120.1° | 120.0° |
| C11 | C12 | H6 | 120.3° | 120.0° |
| C12 | C11 | H10 | 120.0° | 119.9° |
| C12 | C7 | C1 | 121.2° | 120.0° |
| C12 | C7 | C8 | 120.0° | 120.0° |
| C7 | C12 | H6 | 120.3° | 120.1° |
| C11 | C10 | S13 | 121.2° | 119.9° |
| C11 | C10 | C9 | 120.3° | 120.1° |
| C10 | C11 | H10 | 119.9° | 120.0° |
| C4 | C5 | C6 | 120.7° | 120.0° |
| C4 | C5 | H1 | 119.7° | 120.0° |
| C7 | C1 | C6 | 119.9° | 120.1° |
| C1 | C7 | C8 | 118.8° | 120.0° |
| C1 | C6 | C5 | 119.5° | 119.9° |
| C1 | C6 | H2 | 120.2° | 120.1° |
| C7 | C8 | C9 | 120.4° | 119.9° |
| C7 | C8 | H3 | 119.8° | 120.0° |
| S13 | C10 | C9 | 118.5° | 120.0° |
| C10 | S13 | C16 | 107.9° | 103.0° |
| C10 | C9 | C8 | 119.7° | 120.1° |
| C10 | C9 | H20 | 120.1° | 119.9° |
| C6 | C5 | H1 | 119.7° | 120.0° |
| C5 | C6 | H2 | 120.2° | 120.0° |
| C19 | C18 | C17 | 119.3° | 120.1° |
| C18 | C19 | H7 | 119.7° | 119.9° |
| C19 | C18 | H15 | 120.4° | 120.0° |
| S13 | C16 | C17 | 118.8° | 120.1° |
| C16 | C17 | C18 | 120.0° | 119.9° |
| C16 | C17 | H14 | 120.0° | 120.1° |
| C9 | C8 | H3 | 119.8° | 120.1° |
| C8 | C9 | H20 | 120.2° | 120.0° |
| C18 | C17 | H14 | 120.0° | 120.0° |
| C17 | C18 | H15 | 120.3° | 119.9° |
| H11 | C15 | H12 | 109.4° | 109.5° |
| H11 | C15 | H13 | 109.4° | 109.4° |
| H12 | C15 | H13 | 109.5° | 109.5° |
| H16 | C26 | H17 | 109.4° | 109.4° |
| H18 | C27 | H19 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O30 | C28 | O29 | C27 | 179.9° | 180.0° |
| O30 | C28 | C27 | C26 | 10.2° | 0.0° |
| O30 | C28 | C27 | H18 | 130.6° | 120.1° |
| O30 | C28 | C27 | H19 | 110.2° | 120.1° |
| O30 | C28 | O29 | H22 | 0.0° | 0.0° |
| O25 | C23 | O24 | C22 | 179.4° | 180.0° |
| O25 | C23 | C22 | C26 | 78.5° | 120.0° |
| O25 | C23 | C22 | C21 | 44.6° | 0.0° |
| O25 | C23 | C22 | H5 | 163.9° | 120.0° |
| O25 | C23 | O24 | H21 | 0.0° | 0.0° |
| O24 | C23 | C22 | C26 | 100.9° | 60.0° |
| O24 | C23 | C22 | C21 | 135.9° | 180.0° |
| O24 | C23 | C22 | H5 | 16.6° | 60.0° |
| O29 | C28 | C27 | C26 | 169.8° | 180.0° |
| O29 | C28 | C27 | H18 | 49.4° | 59.9° |
| O29 | C28 | C27 | H19 | 69.8° | 60.0° |
| C28 | C27 | C26 | H18 | 120.4° | 120.0° |
| C28 | C27 | C26 | H19 | 120.4° | 120.0° |
| C28 | C27 | C26 | C22 | 178.5° | 180.0° |
| C28 | C27 | C26 | H16 | 58.1° | 59.9° |
| C28 | C27 | C26 | H17 | 61.0° | 60.0° |
| C28 | C27 | H18 | H19 | 118.8° | 119.9° |
| C27 | C28 | O29 | H22 | 180.0° | 180.0° |
| C27 | C26 | C22 | H16 | 120.4° | 120.0° |
| C27 | C26 | C22 | H17 | 120.4° | 120.0° |
| C27 | C26 | C22 | C23 | 159.7° | 65.0° |
| C27 | C26 | C22 | C21 | 76.8° | 175.0° |
| C27 | C26 | C22 | H5 | 42.1° | 55.0° |
| C27 | C26 | H16 | H17 | 118.7° | 119.9° |
| C26 | C27 | H18 | H19 | 118.8° | 120.0° |
| C26 | C22 | C23 | C21 | 123.2° | 120.0° |
| C26 | C22 | C23 | H5 | 117.5° | 120.0° |
| C26 | C22 | C21 | H5 | 119.0° | 119.9° |
| C26 | C22 | C21 | C20 | 9.1° | 60.0° |
| C26 | C22 | C21 | C16 | 169.8° | 120.0° |
| C22 | C26 | H16 | H17 | 118.8° | 120.0° |
| C22 | C26 | C27 | H18 | 61.1° | 60.0° |
| C22 | C26 | C27 | H19 | 58.1° | 60.0° |
| C23 | C22 | C21 | H5 | 119.4° | 120.1° |
| C23 | C22 | C21 | C20 | 112.4° | 60.0° |
| C23 | C22 | C21 | C16 | 68.7° | 120.0° |
| C23 | C22 | C26 | H16 | 79.8° | 55.0° |
| C23 | C22 | C26 | H17 | 39.3° | 175.0° |
| C22 | C23 | O24 | H21 | 179.4° | 180.0° |
| C22 | C21 | C20 | C16 | 178.9° | 180.0° |
| C22 | C21 | C20 | C19 | 180.0° | 180.0° |
| C22 | C21 | C16 | S13 | 0.5° | 0.0° |
| C22 | C21 | C16 | C17 | 179.9° | 180.0° |
| C22 | C21 | C20 | H4 | 0.0° | 0.3° |
| C21 | C22 | C26 | H16 | 43.6° | 65.0° |
| C21 | C22 | C26 | H17 | 162.7° | 55.0° |
| C21 | C20 | C19 | H4 | 180.0° | 179.7° |
| C21 | C20 | C19 | C18 | 0.7° | 0.2° |
| C20 | C21 | C16 | S13 | 179.4° | 179.9° |
| C20 | C21 | C16 | C17 | 1.0° | 0.1° |
| C20 | C21 | C22 | H5 | 128.2° | 180.0° |
| C21 | C20 | C19 | H7 | 179.3° | 179.7° |
| C16 | C21 | C20 | C19 | 1.1° | 0.0° |
| C21 | C16 | S13 | C10 | 116.1° | 174.5° |
| C21 | C16 | S13 | C17 | 179.6° | 180.0° |
| C21 | C16 | C17 | C18 | 0.6° | 0.3° |
| C16 | C21 | C20 | H4 | 178.9° | 179.7° |
| C16 | C21 | C22 | H5 | 50.7° | 0.0° |
| C21 | C16 | C17 | H14 | 179.4° | 180.0° |
| C2 | C3 | C4 | H8 | 180.0° | 179.9° |
| C3 | C2 | C1 | H9 | 180.0° | 179.9° |
| C2 | C3 | C4 | O14 | 179.8° | 179.7° |
| C2 | C3 | C4 | C5 | 0.3° | 0.1° |
| C3 | C2 | C1 | C7 | 179.8° | 180.0° |
| C3 | C2 | C1 | C6 | 0.5° | 0.0° |
| C4 | C3 | C2 | C1 | 0.5° | 0.0° |
| C3 | C4 | O14 | C5 | 179.9° | 179.8° |
| C3 | C4 | O14 | C15 | 162.0° | 0.2° |
| C3 | C4 | C5 | C6 | 0.3° | 0.0° |
| C3 | C4 | C5 | H1 | 179.7° | 180.0° |
| C4 | C3 | C2 | H9 | 179.6° | 180.0° |
| C20 | C19 | C18 | H7 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 0.4° | 0.5° |
| C20 | C19 | C18 | H15 | 179.6° | 180.0° |
| C2 | C1 | C7 | C12 | 3.2° | 0.0° |
| C2 | C1 | C7 | C6 | 179.3° | 180.0° |
| C2 | C1 | C7 | C8 | 176.2° | 179.9° |
| C2 | C1 | C6 | C5 | 0.5° | 0.0° |
| C2 | C1 | C6 | H2 | 179.5° | 180.0° |
| C1 | C2 | C3 | H8 | 179.5° | 180.0° |
| O14 | C4 | C5 | C6 | 179.8° | 179.8° |
| O14 | C4 | C5 | H1 | 0.1° | 0.3° |
| O14 | C4 | C3 | H8 | 0.2° | 0.2° |
| C4 | O14 | C15 | H11 | 180.0° | 60.1° |
| C4 | O14 | C15 | H12 | 60.0° | 59.9° |
| C4 | O14 | C15 | H13 | 60.0° | 180.0° |
| C15 | O14 | C4 | C5 | 17.9° | 180.0° |
| O14 | C15 | H11 | H12 | 120.0° | 120.0° |
| O14 | C15 | H11 | H13 | 120.0° | 119.9° |
| O14 | C15 | H12 | H13 | 120.0° | 120.1° |
| C11 | C12 | C7 | H6 | 180.0° | 179.1° |
| C12 | C11 | C10 | H10 | 180.0° | 179.1° |
| C11 | C12 | C7 | C1 | 179.9° | 179.4° |
| C11 | C12 | C7 | C8 | 0.5° | 0.6° |
| C12 | C11 | C10 | S13 | 179.6° | 179.4° |
| C12 | C11 | C10 | C9 | 0.6° | 0.6° |
| C7 | C12 | C11 | C10 | 0.6° | 0.9° |
| C12 | C7 | C1 | C8 | 179.4° | 179.9° |
| C12 | C7 | C1 | C6 | 177.5° | 180.0° |
| C12 | C7 | C8 | C9 | 0.3° | 0.1° |
| C12 | C7 | C8 | H3 | 179.6° | 179.8° |
| C7 | C12 | C11 | H10 | 179.5° | 180.0° |
| C11 | C10 | S13 | C9 | 179.9° | 179.9° |
| C11 | C10 | S13 | C16 | 18.8° | 94.8° |
| C11 | C10 | C9 | C8 | 0.5° | 0.1° |
| C10 | C11 | C12 | H6 | 179.4° | 180.0° |
| C11 | C10 | C9 | H20 | 179.6° | 180.0° |
| C4 | C5 | C6 | C1 | 0.4° | 0.0° |
| C4 | C5 | C6 | H1 | 180.0° | 180.0° |
| C4 | C5 | C6 | H2 | 179.6° | 180.0° |
| C5 | C4 | C3 | H8 | 179.6° | 180.0° |
| C7 | C1 | C6 | C5 | 179.8° | 180.0° |
| C1 | C7 | C8 | C9 | 179.8° | 180.0° |
| C7 | C1 | C6 | H2 | 0.2° | 0.0° |
| C1 | C7 | C8 | H3 | 0.2° | 0.2° |
| C1 | C7 | C12 | H6 | 0.1° | 0.4° |
| C7 | C1 | C2 | H9 | 0.2° | 0.0° |
| C6 | C1 | C7 | C8 | 3.1° | 0.0° |
| C1 | C6 | C5 | H2 | 180.0° | 180.0° |
| C1 | C6 | C5 | H1 | 179.6° | 180.0° |
| C6 | C1 | C2 | H9 | 179.5° | 180.0° |
| C7 | C8 | C9 | C10 | 0.3° | 0.2° |
| C7 | C8 | C9 | H3 | 180.0° | 179.8° |
| C8 | C7 | C12 | H6 | 179.5° | 179.7° |
| C7 | C8 | C9 | H20 | 179.7° | 179.7° |
| C10 | S13 | C16 | C17 | 63.5° | 5.5° |
| S13 | C10 | C9 | C8 | 179.7° | 180.0° |
| S13 | C10 | C11 | H10 | 0.4° | 0.3° |
| S13 | C10 | C9 | H20 | 0.3° | 0.1° |
| C9 | C10 | S13 | C16 | 161.0° | 85.1° |
| C10 | C9 | C8 | H20 | 180.0° | 179.9° |
| C10 | C9 | C8 | H3 | 179.6° | 180.0° |
| C9 | C10 | C11 | H10 | 179.5° | 179.7° |
| C19 | C18 | C17 | C16 | 0.3° | 0.5° |
| C19 | C18 | C17 | H15 | 180.0° | 179.5° |
| C18 | C19 | C20 | H4 | 179.3° | 180.0° |
| C19 | C18 | C17 | H14 | 179.7° | 179.8° |
| S13 | C16 | C17 | C18 | 179.8° | 179.7° |
| S13 | C16 | C17 | H14 | 0.2° | 0.0° |
| C16 | C17 | C18 | H14 | 180.0° | 179.7° |
| C16 | C17 | C18 | H15 | 179.7° | 180.0° |
| C17 | C18 | C19 | H7 | 179.7° | 179.4° |
| H1 | C5 | C6 | H2 | 0.3° | 0.0° |
| H3 | C8 | C9 | H20 | 0.4° | 0.1° |
| H4 | C20 | C19 | H7 | 0.7° | 0.1° |
| H5 | C22 | C26 | H16 | 162.6° | 175.0° |
| H5 | C22 | C26 | H17 | 78.3° | 65.0° |
| H6 | C12 | C11 | H10 | 0.6° | 0.9° |
| H7 | C19 | C18 | H15 | 0.3° | 0.1° |
| H8 | C3 | C2 | H9 | 0.5° | 0.1° |
| H11 | C15 | H12 | H13 | 119.9° | 120.0° |
| H14 | C17 | C18 | H15 | 0.3° | 0.3° |
| H16 | C26 | C27 | H18 | 178.5° | 180.0° |
| H16 | C26 | C27 | H19 | 62.4° | 60.1° |
| H17 | C26 | C27 | H18 | 59.3° | 60.0° |
| H17 | C26 | C27 | H19 | 178.5° | 180.0° |
