A1IT8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O03 | C13 | doub | 1.22Å | 1.22Å | |
| C28 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C26 | sing | 1.40Å | 1.40Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C16 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | C16 | sing | 1.48Å | 1.50Å | |
| C13 | N05 | sing | 1.35Å | 1.36Å | |
| C23 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C19 | doub | 1.40Å | 1.40Å | Aromatic |
| C22 | N06 | sing | 1.39Å | 1.41Å | |
| C22 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C24 | sing | 1.51Å | 1.51Å | |
| N06 | C25 | sing | 1.35Å | 1.36Å | |
| C25 | O04 | doub | 1.22Å | 1.23Å | |
| C25 | C26 | sing | 1.48Å | 1.50Å | |
| C26 | C27 | doub | 1.40Å | 1.40Å | Aromatic |
| C32 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| N05 | C10 | sing | 1.47Å | 1.47Å | |
| N05 | C12 | sing | 1.40Å | 1.43Å | |
| C10 | C08 | sing | 1.51Å | 1.52Å | |
| C07 | C08 | sing | 1.52Å | 1.53Å | |
| C07 | C09 | sing | 1.53Å | 1.53Å | |
| C09 | C11 | sing | 1.52Å | 1.48Å | |
| C09 | O02 | sing | 1.43Å | 1.42Å | |
| C27 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C30 | sing | 1.51Å | 1.51Å | |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | CL01 | sing | 1.74Å | 1.74Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.08Å | 1.08Å | |
| C29 | H18 | sing | 1.08Å | 1.08Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| C31 | H22 | sing | 1.08Å | 1.08Å | |
| C32 | H23 | sing | 1.08Å | 1.08Å | |
| N06 | H24 | sing | 0.97Å | 1.00Å | |
| O02 | H25 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O03 | C13 | C16 | 120.5° | 120.0° |
| O03 | C13 | N05 | 121.9° | 120.0° |
| C31 | C28 | C26 | 120.0° | 119.9° |
| C28 | C31 | C32 | 120.1° | 120.1° |
| C31 | C28 | H17 | 120.0° | 120.0° |
| C28 | C31 | H22 | 119.9° | 120.0° |
| C28 | C26 | C25 | 119.0° | 120.1° |
| C28 | C26 | C27 | 120.4° | 119.7° |
| C26 | C28 | H17 | 120.0° | 120.1° |
| C31 | C32 | C29 | 120.1° | 120.3° |
| C32 | C31 | H22 | 120.0° | 119.9° |
| C31 | C32 | H23 | 120.0° | 119.9° |
| C23 | C20 | C16 | 120.5° | 119.9° |
| C20 | C23 | C22 | 120.1° | 120.1° |
| C23 | C20 | H11 | 119.8° | 120.1° |
| C20 | C23 | H13 | 120.0° | 120.0° |
| C20 | C16 | C13 | 119.3° | 120.1° |
| C20 | C16 | C19 | 120.1° | 119.9° |
| C16 | C20 | H11 | 119.8° | 120.0° |
| C16 | C13 | N05 | 117.6° | 120.0° |
| C13 | C16 | C19 | 120.6° | 120.0° |
| C13 | N05 | C10 | 118.8° | 121.0° |
| C13 | N05 | C12 | 124.0° | 121.0° |
| C23 | C22 | N06 | 122.4° | 119.9° |
| C23 | C22 | C21 | 119.5° | 120.1° |
| C22 | C23 | H13 | 119.9° | 119.9° |
| C16 | C19 | C21 | 118.4° | 119.9° |
| C16 | C19 | C24 | 122.6° | 120.1° |
| N06 | C22 | C21 | 118.1° | 120.0° |
| C22 | N06 | C25 | 128.3° | 120.0° |
| C22 | N06 | H24 | 115.8° | 120.0° |
| C22 | C21 | C19 | 121.4° | 120.1° |
| C22 | C21 | H12 | 119.3° | 119.9° |
| C21 | C19 | C24 | 119.0° | 120.0° |
| C19 | C21 | H12 | 119.3° | 120.0° |
| C19 | C24 | H14 | 109.5° | 109.5° |
| C19 | C24 | H15 | 109.5° | 109.5° |
| C19 | C24 | H16 | 109.5° | 109.4° |
| N06 | C25 | O04 | 123.9° | 120.0° |
| N06 | C25 | C26 | 115.1° | 120.0° |
| C25 | N06 | H24 | 115.9° | 120.0° |
| O04 | C25 | C26 | 121.0° | 120.0° |
| C25 | C26 | C27 | 120.6° | 120.2° |
| C26 | C27 | C29 | 117.9° | 119.8° |
| C26 | C27 | C30 | 122.1° | 120.1° |
| C32 | C29 | C27 | 121.5° | 120.2° |
| C32 | C29 | H18 | 119.2° | 119.9° |
| C29 | C32 | H23 | 120.0° | 119.8° |
| C10 | N05 | C12 | 117.1° | 118.0° |
| N05 | C10 | C08 | 112.9° | 110.5° |
| N05 | C10 | H1 | 108.6° | 109.3° |
| N05 | C10 | H2 | 108.6° | 109.2° |
| N05 | C12 | C11 | 120.2° | 119.7° |
| N05 | C12 | C15 | 119.4° | 120.3° |
| C10 | C08 | C07 | 115.3° | 113.6° |
| C08 | C10 | H1 | 108.6° | 109.3° |
| C08 | C10 | H2 | 108.6° | 109.3° |
| C10 | C08 | H7 | 108.0° | 108.6° |
| C10 | C08 | H8 | 108.0° | 108.6° |
| C08 | C07 | C09 | 115.4° | 111.1° |
| C08 | C07 | H5 | 108.0° | 109.1° |
| C08 | C07 | H6 | 107.9° | 109.1° |
| C07 | C08 | H7 | 108.0° | 108.6° |
| C07 | C08 | H8 | 108.0° | 108.7° |
| C07 | C09 | C11 | 119.0° | 109.2° |
| C07 | C09 | O02 | 105.2° | 109.5° |
| C09 | C07 | H5 | 107.9° | 109.2° |
| C09 | C07 | H6 | 108.0° | 109.2° |
| C07 | C09 | H9 | 107.5° | 109.5° |
| C11 | C09 | O02 | 107.8° | 109.5° |
| C09 | C11 | C12 | 123.6° | 119.7° |
| C09 | C11 | C14 | 117.5° | 120.0° |
| C11 | C09 | H9 | 108.1° | 109.5° |
| O02 | C09 | H9 | 108.9° | 109.6° |
| C09 | O02 | H25 | 109.5° | 114.0° |
| C29 | C27 | C30 | 119.7° | 120.1° |
| C27 | C29 | H18 | 119.3° | 119.9° |
| C27 | C30 | H19 | 109.5° | 109.4° |
| C27 | C30 | H20 | 109.5° | 109.4° |
| C27 | C30 | H21 | 109.5° | 109.5° |
| C11 | C12 | C15 | 120.4° | 120.0° |
| C12 | C11 | C14 | 118.9° | 120.4° |
| C12 | C15 | C18 | 120.0° | 119.7° |
| C12 | C15 | H4 | 120.0° | 120.2° |
| C11 | C14 | C17 | 119.7° | 119.7° |
| C11 | C14 | H3 | 120.2° | 120.2° |
| C15 | C18 | C17 | 119.3° | 120.2° |
| C18 | C15 | H4 | 120.0° | 120.1° |
| C15 | C18 | H10 | 120.4° | 120.0° |
| C14 | C17 | C18 | 121.7° | 120.1° |
| C14 | C17 | CL01 | 119.0° | 119.9° |
| C17 | C14 | H3 | 120.2° | 120.1° |
| C18 | C17 | CL01 | 119.3° | 119.9° |
| C17 | C18 | H10 | 120.4° | 119.9° |
| H1 | C10 | H2 | 109.5° | 109.3° |
| H5 | C07 | H6 | 109.5° | 109.1° |
| H7 | C08 | H8 | 109.5° | 108.5° |
| H14 | C24 | H15 | 109.4° | 109.5° |
| H14 | C24 | H16 | 109.5° | 109.5° |
| H15 | C24 | H16 | 109.5° | 109.4° |
| H19 | C30 | H20 | 109.5° | 109.5° |
| H19 | C30 | H21 | 109.5° | 109.5° |
| H20 | C30 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O03 | C13 | C16 | C20 | 78.6° | 132.7° |
| O03 | C13 | C16 | N05 | 179.7° | 180.0° |
| O03 | C13 | C16 | C19 | 104.4° | 47.6° |
| O03 | C13 | N05 | C10 | 36.9° | 3.4° |
| O03 | C13 | N05 | C12 | 140.1° | 176.7° |
| C31 | C28 | C26 | H17 | 180.0° | 179.9° |
| C28 | C31 | C32 | H22 | 180.0° | 180.0° |
| C31 | C28 | C26 | C25 | 178.6° | 180.0° |
| C31 | C28 | C26 | C27 | 0.2° | 0.3° |
| C28 | C31 | C32 | C29 | 0.0° | 0.3° |
| C28 | C31 | C32 | H23 | 180.0° | 180.0° |
| C26 | C28 | C31 | C32 | 0.0° | 0.0° |
| C28 | C26 | C25 | N06 | 77.5° | 2.5° |
| C28 | C26 | C25 | O04 | 102.9° | 177.5° |
| C28 | C26 | C25 | C27 | 178.5° | 179.7° |
| C28 | C26 | C27 | C29 | 0.4° | 0.3° |
| C28 | C26 | C27 | C30 | 173.6° | 179.8° |
| C26 | C28 | C31 | H22 | 180.0° | 180.0° |
| C31 | C32 | C29 | H23 | 180.0° | 179.7° |
| C31 | C32 | C29 | C27 | 0.3° | 0.2° |
| C32 | C31 | C28 | H17 | 180.0° | 180.0° |
| C31 | C32 | C29 | H18 | 179.7° | 179.7° |
| C23 | C20 | C16 | H11 | 180.0° | 179.9° |
| C23 | C20 | C16 | C13 | 176.7° | 180.0° |
| C20 | C23 | C22 | H13 | 180.0° | 179.9° |
| C23 | C20 | C16 | C19 | 0.3° | 0.3° |
| C20 | C23 | C22 | N06 | 179.6° | 180.0° |
| C20 | C23 | C22 | C21 | 0.0° | 0.2° |
| C20 | C16 | C13 | C19 | 177.0° | 179.7° |
| C20 | C16 | C13 | N05 | 101.0° | 47.3° |
| C16 | C20 | C23 | C22 | 0.1° | 0.1° |
| C20 | C16 | C19 | C21 | 0.3° | 0.3° |
| C20 | C16 | C19 | C24 | 178.6° | 179.7° |
| C16 | C20 | C23 | H13 | 179.9° | 180.0° |
| C13 | C16 | C19 | C21 | 176.6° | 180.0° |
| C13 | C16 | C19 | C24 | 4.5° | 0.0° |
| C16 | C13 | N05 | C10 | 143.5° | 176.6° |
| C16 | C13 | N05 | C12 | 39.5° | 3.3° |
| C13 | C16 | C20 | H11 | 3.4° | 0.0° |
| N05 | C13 | C16 | C19 | 75.9° | 132.5° |
| C13 | N05 | C10 | C12 | 177.2° | 179.9° |
| C13 | N05 | C10 | C08 | 135.9° | 95.9° |
| C13 | N05 | C12 | C11 | 104.5° | 113.0° |
| C13 | N05 | C12 | C15 | 74.7° | 68.7° |
| C13 | N05 | C10 | H1 | 15.3° | 24.4° |
| C13 | N05 | C10 | H2 | 103.6° | 143.9° |
| C23 | C22 | N06 | C21 | 179.7° | 179.8° |
| C23 | C22 | C21 | C19 | 0.0° | 0.2° |
| C23 | C22 | N06 | C25 | 16.1° | 34.1° |
| C22 | C23 | C20 | H11 | 179.8° | 180.0° |
| C23 | C22 | C21 | H12 | 180.0° | 179.7° |
| C23 | C22 | N06 | H24 | 163.9° | 145.9° |
| C16 | C19 | C21 | C22 | 0.2° | 0.0° |
| C16 | C19 | C21 | C24 | 179.0° | 180.0° |
| C19 | C16 | C20 | H11 | 179.7° | 179.8° |
| C16 | C19 | C21 | H12 | 179.8° | 180.0° |
| C16 | C19 | C24 | H14 | 89.4° | 84.2° |
| C16 | C19 | C24 | H15 | 150.6° | 155.7° |
| C16 | C19 | C24 | H16 | 30.6° | 35.8° |
| N06 | C22 | C21 | C19 | 179.6° | 180.0° |
| C22 | N06 | C25 | H24 | 180.0° | 180.0° |
| C22 | N06 | C25 | O04 | 0.2° | 5.4° |
| C22 | N06 | C25 | C26 | 179.4° | 174.6° |
| N06 | C22 | C21 | H12 | 0.4° | 0.0° |
| N06 | C22 | C23 | H13 | 0.3° | 0.0° |
| C22 | C21 | C19 | H12 | 180.0° | 180.0° |
| C22 | C21 | C19 | C24 | 178.7° | 180.0° |
| C21 | C22 | N06 | C25 | 164.3° | 146.1° |
| C21 | C22 | C23 | H13 | 180.0° | 179.7° |
| C21 | C22 | N06 | H24 | 15.7° | 33.9° |
| C21 | C19 | C24 | H14 | 89.5° | 95.8° |
| C21 | C19 | C24 | H15 | 30.5° | 24.3° |
| C21 | C19 | C24 | H16 | 150.5° | 144.2° |
| C24 | C19 | C21 | H12 | 1.2° | 0.0° |
| C19 | C24 | H14 | H15 | 120.0° | 120.0° |
| C19 | C24 | H14 | H16 | 120.0° | 120.0° |
| C19 | C24 | H15 | H16 | 120.0° | 119.9° |
| N06 | C25 | O04 | C26 | 179.5° | 180.0° |
| N06 | C25 | C26 | C27 | 100.9° | 177.2° |
| O04 | C25 | C26 | C27 | 78.6° | 2.8° |
| O04 | C25 | N06 | H24 | 179.8° | 174.6° |
| C25 | C26 | C27 | C29 | 178.9° | 180.0° |
| C25 | C26 | C27 | C30 | 4.8° | 0.1° |
| C25 | C26 | C28 | H17 | 1.3° | 0.0° |
| C26 | C25 | N06 | H24 | 0.7° | 5.4° |
| C26 | C27 | C29 | C32 | 0.5° | 0.0° |
| C26 | C27 | C29 | C30 | 174.2° | 179.9° |
| C27 | C26 | C28 | H17 | 179.8° | 179.7° |
| C26 | C27 | C29 | H18 | 179.5° | 180.0° |
| C26 | C27 | C30 | H19 | 86.9° | 82.1° |
| C26 | C27 | C30 | H20 | 153.1° | 158.0° |
| C26 | C27 | C30 | H21 | 33.2° | 37.9° |
| C32 | C29 | C27 | H18 | 180.0° | 180.0° |
| C32 | C29 | C27 | C30 | 173.7° | 180.0° |
| C29 | C32 | C31 | H22 | 179.9° | 179.8° |
| N05 | C10 | C08 | H1 | 120.5° | 120.3° |
| N05 | C10 | C08 | H2 | 120.5° | 120.2° |
| N05 | C10 | C08 | C07 | 47.4° | 64.5° |
| C10 | N05 | C12 | C11 | 72.6° | 67.0° |
| C10 | N05 | C12 | C15 | 108.3° | 111.4° |
| N05 | C10 | H1 | H2 | 118.5° | 119.4° |
| N05 | C10 | C08 | H7 | 168.2° | 174.5° |
| N05 | C10 | C08 | H8 | 73.5° | 56.6° |
| C12 | N05 | C10 | C08 | 41.3° | 84.0° |
| N05 | C12 | C11 | C09 | 2.4° | 4.8° |
| N05 | C12 | C11 | C15 | 179.1° | 178.4° |
| N05 | C12 | C11 | C14 | 178.8° | 176.7° |
| N05 | C12 | C15 | C18 | 178.9° | 177.3° |
| C12 | N05 | C10 | H1 | 161.9° | 155.6° |
| C12 | N05 | C10 | H2 | 79.1° | 36.2° |
| N05 | C12 | C15 | H4 | 1.1° | 2.7° |
| C10 | C08 | C07 | H7 | 120.9° | 121.0° |
| C10 | C08 | C07 | H8 | 120.8° | 121.1° |
| C10 | C08 | C07 | C09 | 72.6° | 69.3° |
| C08 | C10 | H1 | H2 | 118.4° | 119.5° |
| C10 | C08 | C07 | H5 | 48.3° | 51.2° |
| C10 | C08 | C07 | H6 | 166.6° | 170.3° |
| C10 | C08 | H7 | H8 | 117.4° | 117.9° |
| C08 | C07 | C09 | H5 | 120.9° | 120.4° |
| C08 | C07 | C09 | H6 | 120.9° | 120.4° |
| C08 | C07 | C09 | C11 | 4.0° | 85.1° |
| C08 | C07 | C09 | O02 | 116.9° | 34.8° |
| C07 | C08 | C10 | H1 | 73.1° | 175.2° |
| C07 | C08 | C10 | H2 | 167.9° | 55.7° |
| C08 | C07 | H5 | H6 | 117.3° | 119.2° |
| C07 | C08 | H7 | H8 | 117.4° | 118.0° |
| C08 | C07 | C09 | H9 | 127.2° | 155.1° |
| C07 | C09 | C11 | O02 | 119.6° | 119.9° |
| C07 | C09 | C11 | H9 | 122.9° | 119.8° |
| C07 | C09 | O02 | H9 | 115.0° | 120.2° |
| C07 | C09 | C11 | C12 | 43.5° | 69.5° |
| C07 | C09 | C11 | C14 | 135.3° | 111.9° |
| C09 | C07 | H5 | H6 | 117.3° | 119.2° |
| C09 | C07 | C08 | H7 | 166.6° | 169.7° |
| C09 | C07 | C08 | H8 | 48.3° | 51.8° |
| C07 | C09 | O02 | H25 | 180.0° | 169.8° |
| C11 | C09 | O02 | H9 | 117.0° | 120.2° |
| C09 | C11 | C12 | C14 | 178.8° | 178.5° |
| C09 | C11 | C12 | C15 | 178.5° | 176.9° |
| C09 | C11 | C14 | C17 | 178.6° | 177.4° |
| C09 | C11 | C14 | H3 | 1.4° | 2.6° |
| C11 | C09 | C07 | H5 | 116.8° | 35.3° |
| C11 | C09 | C07 | H6 | 124.9° | 154.5° |
| C11 | C09 | O02 | H25 | 52.0° | 70.5° |
| O02 | C09 | C11 | C12 | 163.1° | 50.4° |
| O02 | C09 | C11 | C14 | 15.7° | 128.2° |
| O02 | C09 | C07 | H5 | 122.3° | 155.2° |
| O02 | C09 | C07 | H6 | 4.0° | 85.5° |
| C29 | C27 | C30 | H19 | 87.1° | 98.0° |
| C29 | C27 | C30 | H20 | 32.9° | 21.9° |
| C29 | C27 | C30 | H21 | 152.9° | 142.0° |
| C27 | C29 | C32 | H23 | 179.7° | 179.9° |
| C30 | C27 | C29 | H18 | 6.3° | 0.1° |
| C27 | C30 | H19 | H20 | 120.0° | 119.9° |
| C27 | C30 | H19 | H21 | 120.0° | 120.0° |
| C27 | C30 | H20 | H21 | 120.0° | 120.0° |
| C11 | C12 | C15 | C18 | 0.2° | 1.1° |
| C12 | C11 | C14 | C17 | 0.2° | 1.1° |
| C12 | C11 | C14 | H3 | 179.8° | 178.8° |
| C11 | C12 | C15 | H4 | 179.8° | 178.9° |
| C12 | C11 | C09 | H9 | 79.4° | 170.6° |
| C15 | C12 | C11 | C14 | 0.3° | 1.7° |
| C12 | C15 | C18 | H4 | 180.0° | 180.0° |
| C12 | C15 | C18 | C17 | 0.1° | 0.0° |
| C12 | C15 | C18 | H10 | 179.9° | 180.0° |
| C11 | C14 | C17 | H3 | 180.0° | 180.0° |
| C11 | C14 | C17 | C18 | 0.1° | 0.0° |
| C11 | C14 | C17 | CL01 | 179.6° | 180.0° |
| C14 | C11 | C09 | H9 | 101.8° | 7.9° |
| C15 | C18 | C17 | C14 | 0.0° | 0.6° |
| C15 | C18 | C17 | H10 | 180.0° | 179.9° |
| C15 | C18 | C17 | CL01 | 179.5° | 179.4° |
| C14 | C17 | C18 | CL01 | 179.5° | 180.0° |
| C14 | C17 | C18 | H10 | 180.0° | 179.5° |
| C18 | C17 | C14 | H3 | 179.9° | 180.0° |
| C17 | C18 | C15 | H4 | 179.9° | 180.0° |
| CL01 | C17 | C14 | H3 | 0.4° | 0.0° |
| CL01 | C17 | C18 | H10 | 0.5° | 0.5° |
| H1 | C10 | C08 | H7 | 47.7° | 54.2° |
| H1 | C10 | C08 | H8 | 166.0° | 63.7° |
| H2 | C10 | C08 | H7 | 71.2° | 65.4° |
| H2 | C10 | C08 | H8 | 47.1° | 176.8° |
| H4 | C15 | C18 | H10 | 0.1° | 0.0° |
| H5 | C07 | C08 | H7 | 72.6° | 69.9° |
| H5 | C07 | C08 | H8 | 169.1° | 172.3° |
| H5 | C07 | C09 | H9 | 6.4° | 84.5° |
| H6 | C07 | C08 | H7 | 45.7° | 49.3° |
| H6 | C07 | C08 | H8 | 72.6° | 68.6° |
| H6 | C07 | C09 | H9 | 111.9° | 34.7° |
| H9 | C09 | O02 | H25 | 65.0° | 49.7° |
| H11 | C20 | C23 | H13 | 0.1° | 0.1° |
| H14 | C24 | H15 | H16 | 120.0° | 120.0° |
| H17 | C28 | C31 | H22 | 0.0° | 0.1° |
| H18 | C29 | C32 | H23 | 0.3° | 0.0° |
| H19 | C30 | H20 | H21 | 120.0° | 120.1° |
| H22 | C31 | C32 | H23 | 0.1° | 0.1° |
