AUB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C1 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C1 | C9 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C9 | C3 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C10 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C7 | sing | 1.53Å | 1.53Å | |
| C3 | C8 | sing | 1.53Å | 1.53Å | |
| C10 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | N11 | sing | 1.47Å | 1.45Å | |
| N11 | C26 | sing | 1.35Å | 1.38Å | |
| O27 | C26 | doub | 1.22Å | 1.22Å | |
| C26 | N18 | sing | 1.35Å | 1.36Å | |
| N18 | C13 | sing | 1.46Å | 1.43Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C12 | C17 | sing | 1.53Å | 1.50Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C16 | O19 | sing | 1.43Å | 1.43Å | |
| O19 | C20 | sing | 1.36Å | 1.38Å | |
| C20 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C20 | C25 | sing | 1.39Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | doub | 1.40Å | 1.37Å | Aromatic |
| C24 | C23 | sing | 1.40Å | 1.38Å | Aromatic |
| C23 | C28 | sing | 1.47Å | 1.46Å | |
| C28 | O29 | doub | 1.22Å | 1.22Å | |
| C28 | O30 | sing | 1.35Å | 1.36Å | |
| C22 | H1 | sing | 1.08Å | 1.08Å | |
| C24 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.08Å | 1.08Å | |
| C25 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C4 | H17 | sing | 1.09Å | 1.10Å | |
| C4 | H18 | sing | 1.09Å | 1.10Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| C10 | H22 | sing | 1.09Å | 1.10Å | |
| C8 | H23 | sing | 1.09Å | 1.10Å | |
| C8 | H24 | sing | 1.09Å | 1.10Å | |
| C1 | H25 | sing | 1.09Å | 1.10Å | |
| C5 | H26 | sing | 1.09Å | 1.10Å | |
| C3 | H27 | sing | 1.09Å | 1.10Å | |
| C13 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| N18 | H30 | sing | 0.97Å | 1.00Å | |
| N11 | H31 | sing | 0.97Å | 1.00Å | |
| O30 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C6 | C5 | 109.2° | 109.5° |
| C6 | C1 | C9 | 108.4° | 109.4° |
| C6 | C1 | C2 | 108.5° | 109.5° |
| C1 | C6 | H13 | 109.5° | 109.5° |
| C1 | C6 | H14 | 109.5° | 109.4° |
| C6 | C1 | H25 | 109.9° | 109.5° |
| C6 | C5 | C4 | 109.6° | 109.5° |
| C6 | C5 | C10 | 109.0° | 109.5° |
| C5 | C6 | H13 | 109.5° | 109.5° |
| C5 | C6 | H14 | 109.6° | 109.5° |
| C6 | C5 | H26 | 108.8° | 109.5° |
| C9 | C1 | C2 | 110.4° | 109.5° |
| C1 | C9 | C3 | 110.7° | 109.5° |
| C1 | C9 | H15 | 109.1° | 109.5° |
| C1 | C9 | H16 | 109.2° | 109.5° |
| C9 | C1 | H25 | 109.8° | 109.5° |
| C1 | C2 | C7 | 110.3° | 109.5° |
| C1 | C2 | H19 | 109.3° | 109.5° |
| C1 | C2 | H20 | 109.2° | 109.5° |
| C2 | C1 | H25 | 109.8° | 109.5° |
| C9 | C3 | C4 | 108.7° | 109.5° |
| C9 | C3 | C8 | 108.5° | 109.5° |
| C3 | C9 | H15 | 109.2° | 109.5° |
| C3 | C9 | H16 | 109.2° | 109.5° |
| C9 | C3 | H27 | 110.1° | 109.5° |
| C4 | C5 | C10 | 112.1° | 109.5° |
| C5 | C4 | C3 | 108.5° | 109.4° |
| C5 | C4 | H17 | 109.7° | 109.5° |
| C5 | C4 | H18 | 109.7° | 109.5° |
| C4 | C5 | H26 | 108.6° | 109.5° |
| C5 | C10 | C7 | 109.4° | 109.5° |
| C5 | C10 | H21 | 109.5° | 109.5° |
| C5 | C10 | H22 | 109.5° | 109.5° |
| C10 | C5 | H26 | 108.6° | 109.5° |
| C4 | C3 | C8 | 109.4° | 109.5° |
| C3 | C4 | H17 | 109.7° | 109.5° |
| C3 | C4 | H18 | 109.7° | 109.5° |
| C4 | C3 | H27 | 110.1° | 109.4° |
| C2 | C7 | C10 | 107.7° | 109.5° |
| C2 | C7 | C8 | 109.0° | 109.5° |
| C2 | C7 | N11 | 111.3° | 109.4° |
| C7 | C2 | H19 | 109.3° | 109.5° |
| C7 | C2 | H20 | 109.3° | 109.4° |
| C3 | C8 | C7 | 111.9° | 109.4° |
| C3 | C8 | H23 | 108.8° | 109.5° |
| C3 | C8 | H24 | 108.9° | 109.4° |
| C8 | C3 | H27 | 110.0° | 109.5° |
| C10 | C7 | C8 | 108.9° | 109.5° |
| C10 | C7 | N11 | 108.8° | 109.5° |
| C7 | C10 | H21 | 109.5° | 109.4° |
| C7 | C10 | H22 | 109.5° | 109.5° |
| C8 | C7 | N11 | 111.1° | 109.4° |
| C7 | C8 | H23 | 108.9° | 109.5° |
| C7 | C8 | H24 | 108.9° | 109.5° |
| C7 | N11 | C26 | 123.8° | 120.0° |
| C7 | N11 | H31 | 118.1° | 120.1° |
| N11 | C26 | O27 | 125.7° | 120.0° |
| N11 | C26 | N18 | 114.1° | 120.0° |
| C26 | N11 | H31 | 118.1° | 120.0° |
| O27 | C26 | N18 | 120.1° | 120.0° |
| C26 | N18 | C13 | 118.1° | 120.0° |
| C26 | N18 | H30 | 121.0° | 120.0° |
| N18 | C13 | C14 | 108.3° | 109.5° |
| N18 | C13 | C12 | 106.7° | 109.5° |
| N18 | C13 | H28 | 110.7° | 109.4° |
| C13 | N18 | H30 | 120.9° | 120.0° |
| C14 | C13 | C12 | 112.1° | 109.5° |
| C13 | C14 | C15 | 114.9° | 109.5° |
| C13 | C14 | H5 | 108.1° | 109.5° |
| C13 | C14 | H6 | 108.1° | 109.4° |
| C14 | C13 | H28 | 109.5° | 109.5° |
| C13 | C12 | C17 | 110.0° | 109.5° |
| C13 | C12 | H7 | 109.3° | 109.4° |
| C13 | C12 | H8 | 109.3° | 109.5° |
| C12 | C13 | H28 | 109.5° | 109.4° |
| C14 | C15 | C16 | 115.0° | 109.5° |
| C15 | C14 | H5 | 108.1° | 109.5° |
| C15 | C14 | H6 | 108.1° | 109.5° |
| C14 | C15 | H9 | 108.1° | 109.5° |
| C14 | C15 | H10 | 108.0° | 109.5° |
| C12 | C17 | C16 | 110.0° | 109.5° |
| C17 | C12 | H7 | 109.4° | 109.5° |
| C17 | C12 | H8 | 109.3° | 109.5° |
| C12 | C17 | H11 | 109.3° | 109.5° |
| C12 | C17 | H12 | 109.3° | 109.5° |
| C15 | C16 | C17 | 109.7° | 109.4° |
| C15 | C16 | O19 | 106.6° | 109.4° |
| C16 | C15 | H9 | 108.1° | 109.4° |
| C16 | C15 | H10 | 108.1° | 109.5° |
| C15 | C16 | H29 | 110.5° | 109.5° |
| C17 | C16 | O19 | 107.0° | 109.5° |
| C16 | C17 | H11 | 109.3° | 109.5° |
| C16 | C17 | H12 | 109.4° | 109.5° |
| C17 | C16 | H29 | 110.8° | 109.5° |
| C16 | O19 | C20 | 114.8° | 117.0° |
| O19 | C16 | H29 | 112.0° | 109.5° |
| O19 | C20 | C21 | 123.5° | 119.9° |
| O19 | C20 | C25 | 116.3° | 119.9° |
| C21 | C20 | C25 | 120.2° | 120.2° |
| C20 | C21 | C22 | 119.6° | 120.1° |
| C20 | C21 | H3 | 120.2° | 120.0° |
| C20 | C25 | C24 | 120.9° | 120.1° |
| C20 | C25 | H4 | 119.6° | 120.0° |
| C21 | C22 | C23 | 119.4° | 119.9° |
| C21 | C22 | H1 | 120.3° | 120.0° |
| C22 | C21 | H3 | 120.2° | 120.0° |
| C25 | C24 | C23 | 118.1° | 119.9° |
| C25 | C24 | H2 | 120.9° | 120.1° |
| C24 | C25 | H4 | 119.5° | 119.9° |
| C22 | C23 | C24 | 121.8° | 119.8° |
| C22 | C23 | C28 | 117.9° | 120.1° |
| C23 | C22 | H1 | 120.3° | 120.1° |
| C24 | C23 | C28 | 120.3° | 120.1° |
| C23 | C24 | H2 | 121.0° | 120.0° |
| C23 | C28 | O29 | 123.4° | 120.0° |
| C23 | C28 | O30 | 108.4° | 120.0° |
| O29 | C28 | O30 | 128.2° | 120.0° |
| C28 | O30 | H32 | 109.5° | 117.1° |
| H5 | C14 | H6 | 109.5° | 109.5° |
| H7 | C12 | H8 | 109.5° | 109.5° |
| H9 | C15 | H10 | 109.5° | 109.5° |
| H11 | C17 | H12 | 109.5° | 109.5° |
| H13 | C6 | H14 | 109.5° | 109.5° |
| H15 | C9 | H16 | 109.5° | 109.5° |
| H17 | C4 | H18 | 109.5° | 109.5° |
| H19 | C2 | H20 | 109.5° | 109.5° |
| H21 | C10 | H22 | 109.4° | 109.4° |
| H23 | C8 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C6 | C5 | H13 | 120.0° | 120.0° |
| C1 | C6 | C5 | H14 | 120.0° | 120.0° |
| C6 | C1 | C9 | C2 | 118.7° | 120.0° |
| C6 | C1 | C9 | H25 | 120.1° | 120.0° |
| C6 | C1 | C2 | H25 | 120.1° | 120.0° |
| C6 | C1 | C9 | C3 | 59.8° | 60.0° |
| C1 | C6 | C5 | C4 | 61.8° | 60.0° |
| C1 | C6 | C5 | C10 | 61.3° | 60.0° |
| C6 | C1 | C2 | C7 | 60.6° | 60.0° |
| C1 | C6 | H13 | H14 | 120.1° | 120.0° |
| C6 | C1 | C9 | H15 | 180.0° | 180.0° |
| C6 | C1 | C9 | H16 | 60.4° | 60.0° |
| C6 | C1 | C2 | H19 | 59.5° | 60.0° |
| C6 | C1 | C2 | H20 | 179.3° | 180.0° |
| C1 | C6 | C5 | H26 | 179.6° | 180.0° |
| C5 | C6 | C1 | C9 | 59.8° | 60.0° |
| C5 | C6 | C1 | C2 | 60.2° | 60.0° |
| C6 | C5 | C4 | C10 | 121.2° | 120.0° |
| C6 | C5 | C4 | H26 | 118.8° | 120.0° |
| C6 | C5 | C10 | H26 | 118.4° | 120.0° |
| C6 | C5 | C4 | C3 | 61.8° | 60.0° |
| C6 | C5 | C10 | C7 | 62.2° | 60.0° |
| C5 | C6 | H13 | H14 | 120.1° | 120.0° |
| C6 | C5 | C4 | H17 | 58.0° | 60.0° |
| C6 | C5 | C4 | H18 | 178.3° | 180.0° |
| C6 | C5 | C10 | H21 | 177.8° | 180.0° |
| C6 | C5 | C10 | H22 | 57.8° | 60.0° |
| C5 | C6 | C1 | H25 | 179.8° | 180.0° |
| C9 | C1 | C2 | H25 | 121.2° | 120.0° |
| C1 | C9 | C3 | H15 | 120.2° | 120.0° |
| C1 | C9 | C3 | H16 | 120.2° | 120.0° |
| C1 | C9 | C3 | C4 | 60.5° | 60.0° |
| C9 | C1 | C2 | C7 | 58.0° | 60.0° |
| C1 | C9 | C3 | C8 | 58.4° | 60.0° |
| C9 | C1 | C6 | H13 | 60.2° | 60.0° |
| C9 | C1 | C6 | H14 | 179.7° | 180.0° |
| C1 | C9 | H15 | H16 | 119.4° | 120.0° |
| C9 | C1 | C2 | H19 | 178.2° | 180.0° |
| C9 | C1 | C2 | H20 | 62.1° | 60.0° |
| C1 | C9 | C3 | H27 | 178.8° | 180.0° |
| C2 | C1 | C9 | C3 | 58.9° | 60.0° |
| C1 | C2 | C7 | H19 | 120.1° | 120.0° |
| C1 | C2 | C7 | H20 | 120.1° | 120.0° |
| C1 | C2 | C7 | C10 | 60.9° | 60.0° |
| C1 | C2 | C7 | C8 | 57.1° | 60.0° |
| C1 | C2 | C7 | N11 | 180.0° | 179.9° |
| C2 | C1 | C6 | H13 | 179.9° | 180.0° |
| C2 | C1 | C6 | H14 | 59.8° | 60.0° |
| C2 | C1 | C9 | H15 | 61.3° | 60.0° |
| C2 | C1 | C9 | H16 | 179.1° | 180.0° |
| C1 | C2 | H19 | H20 | 119.6° | 120.0° |
| C9 | C3 | C4 | C5 | 60.4° | 60.0° |
| C9 | C3 | C4 | C8 | 118.3° | 120.0° |
| C9 | C3 | C4 | H27 | 120.7° | 120.0° |
| C9 | C3 | C8 | H27 | 120.5° | 120.0° |
| C9 | C3 | C8 | C7 | 59.0° | 60.0° |
| C3 | C9 | H15 | H16 | 119.4° | 120.0° |
| C9 | C3 | C4 | H17 | 59.4° | 59.9° |
| C9 | C3 | C4 | H18 | 179.7° | 180.0° |
| C9 | C3 | C8 | H23 | 61.4° | 60.0° |
| C9 | C3 | C8 | H24 | 179.4° | 180.0° |
| C3 | C9 | C1 | H25 | 179.9° | 180.0° |
| C4 | C5 | C10 | H26 | 120.0° | 120.0° |
| C5 | C4 | C3 | H17 | 119.8° | 120.0° |
| C5 | C4 | C3 | H18 | 119.8° | 120.0° |
| C5 | C4 | C3 | C8 | 57.9° | 60.0° |
| C4 | C5 | C10 | C7 | 59.4° | 60.0° |
| C4 | C5 | C6 | H13 | 58.2° | 60.0° |
| C4 | C5 | C6 | H14 | 178.3° | 180.0° |
| C5 | C4 | H17 | H18 | 120.5° | 120.0° |
| C4 | C5 | C10 | H21 | 60.7° | 60.0° |
| C4 | C5 | C10 | H22 | 179.4° | 180.0° |
| C5 | C4 | C3 | H27 | 178.9° | 180.0° |
| C10 | C5 | C4 | C3 | 59.4° | 60.0° |
| C5 | C10 | C7 | C2 | 61.2° | 60.0° |
| C5 | C10 | C7 | H21 | 120.0° | 120.0° |
| C5 | C10 | C7 | H22 | 120.0° | 120.0° |
| C5 | C10 | C7 | C8 | 56.9° | 60.0° |
| C5 | C10 | C7 | N11 | 178.1° | 180.0° |
| C10 | C5 | C6 | H13 | 178.7° | 180.0° |
| C10 | C5 | C6 | H14 | 58.7° | 60.0° |
| C10 | C5 | C4 | H17 | 179.2° | 180.0° |
| C10 | C5 | C4 | H18 | 60.5° | 60.0° |
| C5 | C10 | H21 | H22 | 120.0° | 120.0° |
| C4 | C3 | C8 | H27 | 121.1° | 120.0° |
| C4 | C3 | C8 | C7 | 59.5° | 60.0° |
| C4 | C3 | C9 | H15 | 179.3° | 180.0° |
| C4 | C3 | C9 | H16 | 59.6° | 60.0° |
| C3 | C4 | H17 | H18 | 120.5° | 120.0° |
| C4 | C3 | C8 | H23 | 179.8° | 180.0° |
| C4 | C3 | C8 | H24 | 60.9° | 60.0° |
| C3 | C4 | C5 | H26 | 179.4° | 180.0° |
| C2 | C7 | C8 | C3 | 58.7° | 60.0° |
| C2 | C7 | C10 | C8 | 118.1° | 120.0° |
| C2 | C7 | C10 | N11 | 120.7° | 120.0° |
| C2 | C7 | C8 | N11 | 123.0° | 119.9° |
| C2 | C7 | N11 | C26 | 67.4° | 180.0° |
| C7 | C2 | H19 | H20 | 119.6° | 120.0° |
| C2 | C7 | C10 | H21 | 178.8° | 180.0° |
| C2 | C7 | C10 | H22 | 58.8° | 60.0° |
| C2 | C7 | C8 | H23 | 61.6° | 60.0° |
| C2 | C7 | C8 | H24 | 179.1° | 180.0° |
| C7 | C2 | C1 | H25 | 179.3° | 180.0° |
| C2 | C7 | N11 | H31 | 112.7° | 0.0° |
| C3 | C8 | C7 | C10 | 58.6° | 60.0° |
| C3 | C8 | C7 | H23 | 120.3° | 120.0° |
| C3 | C8 | C7 | H24 | 120.4° | 119.9° |
| C3 | C8 | C7 | N11 | 178.4° | 180.0° |
| C8 | C3 | C9 | H15 | 61.8° | 60.0° |
| C8 | C3 | C9 | H16 | 178.5° | 180.0° |
| C8 | C3 | C4 | H17 | 177.7° | 180.0° |
| C8 | C3 | C4 | H18 | 61.9° | 60.0° |
| C3 | C8 | H23 | H24 | 118.9° | 120.0° |
| C10 | C7 | C8 | N11 | 119.8° | 120.1° |
| C10 | C7 | N11 | C26 | 174.1° | 60.0° |
| C10 | C7 | C2 | H19 | 59.2° | 60.0° |
| C10 | C7 | C2 | H20 | 179.0° | 180.0° |
| C7 | C10 | H21 | H22 | 120.0° | 120.0° |
| C10 | C7 | C8 | H23 | 178.9° | 180.0° |
| C10 | C7 | C8 | H24 | 61.8° | 60.0° |
| C7 | C10 | C5 | H26 | 179.4° | 180.0° |
| C10 | C7 | N11 | H31 | 5.8° | 120.0° |
| C8 | C7 | N11 | C26 | 54.3° | 60.1° |
| C8 | C7 | C2 | H19 | 177.3° | 179.9° |
| C8 | C7 | C2 | H20 | 63.0° | 60.0° |
| C8 | C7 | C10 | H21 | 63.1° | 60.0° |
| C8 | C7 | C10 | H22 | 176.9° | 180.0° |
| C7 | C8 | H23 | H24 | 118.9° | 120.0° |
| C7 | C8 | C3 | H27 | 179.5° | 180.0° |
| C8 | C7 | N11 | H31 | 125.7° | 120.0° |
| C7 | N11 | C26 | H31 | 180.0° | 180.0° |
| C7 | N11 | C26 | O27 | 11.6° | 0.0° |
| C7 | N11 | C26 | N18 | 168.7° | 180.0° |
| N11 | C7 | C2 | H19 | 59.9° | 60.0° |
| N11 | C7 | C2 | H20 | 59.9° | 60.0° |
| N11 | C7 | C10 | H21 | 58.1° | 60.0° |
| N11 | C7 | C10 | H22 | 61.9° | 60.0° |
| N11 | C7 | C8 | H23 | 61.3° | 59.9° |
| N11 | C7 | C8 | H24 | 58.0° | 60.1° |
| N11 | C26 | O27 | N18 | 179.7° | 180.0° |
| N11 | C26 | N18 | C13 | 171.9° | 180.0° |
| N11 | C26 | N18 | H30 | 8.0° | 0.0° |
| O27 | C26 | N18 | C13 | 8.4° | 0.0° |
| O27 | C26 | N18 | H30 | 171.6° | 180.0° |
| O27 | C26 | N11 | H31 | 168.4° | 180.0° |
| C26 | N18 | C13 | H30 | 180.0° | 180.0° |
| C26 | N18 | C13 | C14 | 126.2° | 155.0° |
| C26 | N18 | C13 | C12 | 113.0° | 85.0° |
| C26 | N18 | C13 | H28 | 6.1° | 35.0° |
| N18 | C26 | N11 | H31 | 11.3° | 0.0° |
| N18 | C13 | C14 | C12 | 117.5° | 120.0° |
| N18 | C13 | C14 | H28 | 120.8° | 120.0° |
| N18 | C13 | C12 | H28 | 119.9° | 119.9° |
| N18 | C13 | C14 | C15 | 160.8° | 180.0° |
| N18 | C13 | C12 | C17 | 173.7° | 180.0° |
| N18 | C13 | C14 | H5 | 40.0° | 60.0° |
| N18 | C13 | C14 | H6 | 78.4° | 60.1° |
| N18 | C13 | C12 | H7 | 66.2° | 60.1° |
| N18 | C13 | C12 | H8 | 53.7° | 60.0° |
| C14 | C13 | C12 | H28 | 121.7° | 120.0° |
| C13 | C14 | C15 | H5 | 120.8° | 120.0° |
| C13 | C14 | C15 | H6 | 120.8° | 119.9° |
| C14 | C13 | C12 | C17 | 55.3° | 60.0° |
| C13 | C14 | C15 | C16 | 40.3° | 60.0° |
| C13 | C14 | H5 | H6 | 117.5° | 120.0° |
| C14 | C13 | C12 | H7 | 175.4° | 60.0° |
| C14 | C13 | C12 | H8 | 64.8° | 180.0° |
| C13 | C14 | C15 | H9 | 161.2° | 179.9° |
| C13 | C14 | C15 | H10 | 80.5° | 60.0° |
| C14 | C13 | N18 | H30 | 53.8° | 25.0° |
| C12 | C13 | C14 | C15 | 43.3° | 60.0° |
| C13 | C12 | C17 | H7 | 120.1° | 120.0° |
| C13 | C12 | C17 | H8 | 120.0° | 120.0° |
| C13 | C12 | C17 | C16 | 64.9° | 60.0° |
| C12 | C13 | C14 | H5 | 77.5° | 180.0° |
| C12 | C13 | C14 | H6 | 164.1° | 60.0° |
| C13 | C12 | H7 | H8 | 119.7° | 120.0° |
| C13 | C12 | C17 | H11 | 55.2° | 60.0° |
| C13 | C12 | C17 | H12 | 175.0° | 180.0° |
| C12 | C13 | N18 | H30 | 67.0° | 95.0° |
| C14 | C15 | C16 | H9 | 120.8° | 120.0° |
| C14 | C15 | C16 | H10 | 120.8° | 120.0° |
| C14 | C15 | C16 | C17 | 48.0° | 60.0° |
| C14 | C15 | C16 | O19 | 163.5° | 180.0° |
| C15 | C14 | H5 | H6 | 117.5° | 120.0° |
| C14 | C15 | H9 | H10 | 117.4° | 120.0° |
| C15 | C14 | C13 | H28 | 78.4° | 60.0° |
| C14 | C15 | C16 | H29 | 74.6° | 60.0° |
| C12 | C17 | C16 | C15 | 60.1° | 60.0° |
| C12 | C17 | C16 | H11 | 120.1° | 120.0° |
| C12 | C17 | C16 | H12 | 120.1° | 120.0° |
| C12 | C17 | C16 | O19 | 175.4° | 180.0° |
| C17 | C12 | H7 | H8 | 119.8° | 120.0° |
| C12 | C17 | H11 | H12 | 119.7° | 120.0° |
| C17 | C12 | C13 | H28 | 66.4° | 60.0° |
| C12 | C17 | C16 | H29 | 62.2° | 59.9° |
| C15 | C16 | C17 | O19 | 115.3° | 120.0° |
| C15 | C16 | C17 | H29 | 122.3° | 120.0° |
| C15 | C16 | O19 | H29 | 121.0° | 120.0° |
| C15 | C16 | O19 | C20 | 154.3° | 155.3° |
| C16 | C15 | C14 | H5 | 80.4° | 180.0° |
| C16 | C15 | C14 | H6 | 161.2° | 59.9° |
| C16 | C15 | H9 | H10 | 117.5° | 120.0° |
| C15 | C16 | C17 | H11 | 60.0° | 60.0° |
| C15 | C16 | C17 | H12 | 179.8° | 180.0° |
| C17 | C16 | O19 | H29 | 121.6° | 120.0° |
| C17 | C16 | O19 | C20 | 88.3° | 84.8° |
| C16 | C17 | C12 | H7 | 175.1° | 60.0° |
| C16 | C17 | C12 | H8 | 55.2° | 180.0° |
| C17 | C16 | C15 | H9 | 168.8° | 180.0° |
| C17 | C16 | C15 | H10 | 72.8° | 60.0° |
| C16 | C17 | H11 | H12 | 119.8° | 120.0° |
| C16 | O19 | C20 | C21 | 0.4° | 5.4° |
| C16 | O19 | C20 | C25 | 179.0° | 174.6° |
| O19 | C16 | C15 | H9 | 75.7° | 60.1° |
| O19 | C16 | C15 | H10 | 42.7° | 60.0° |
| O19 | C16 | C17 | H11 | 55.3° | 60.0° |
| O19 | C16 | C17 | H12 | 64.5° | 60.0° |
| O19 | C20 | C21 | C25 | 179.4° | 180.0° |
| O19 | C20 | C21 | C22 | 179.8° | 180.0° |
| O19 | C20 | C25 | C24 | 179.5° | 179.7° |
| O19 | C20 | C21 | H3 | 0.2° | 0.0° |
| O19 | C20 | C25 | H4 | 0.5° | 0.2° |
| C20 | O19 | C16 | H29 | 33.3° | 35.3° |
| C20 | C21 | C22 | H3 | 180.0° | 180.0° |
| C21 | C20 | C25 | C24 | 0.1° | 0.2° |
| C20 | C21 | C22 | C23 | 0.5° | 0.1° |
| C20 | C21 | C22 | H1 | 179.5° | 179.7° |
| C21 | C20 | C25 | H4 | 179.9° | 179.8° |
| C25 | C20 | C21 | C22 | 0.4° | 0.1° |
| C20 | C25 | C24 | H4 | 180.0° | 179.5° |
| C20 | C25 | C24 | C23 | 0.2° | 0.5° |
| C20 | C25 | C24 | H2 | 179.8° | 180.0° |
| C25 | C20 | C21 | H3 | 179.6° | 180.0° |
| C21 | C22 | C23 | H1 | 180.0° | 179.8° |
| C21 | C22 | C23 | C24 | 0.2° | 0.2° |
| C21 | C22 | C23 | C28 | 179.6° | 179.7° |
| C25 | C24 | C23 | C22 | 0.2° | 0.5° |
| C25 | C24 | C23 | H2 | 180.0° | 179.5° |
| C25 | C24 | C23 | C28 | 179.3° | 179.4° |
| C22 | C23 | C24 | C28 | 179.5° | 180.0° |
| C22 | C23 | C28 | O29 | 18.3° | 0.0° |
| C22 | C23 | C28 | O30 | 163.6° | 180.0° |
| C22 | C23 | C24 | H2 | 179.9° | 180.0° |
| C23 | C22 | C21 | H3 | 179.5° | 180.0° |
| C24 | C23 | C28 | O29 | 161.1° | 180.0° |
| C24 | C23 | C28 | O30 | 17.0° | 0.1° |
| C24 | C23 | C22 | H1 | 179.8° | 180.0° |
| C23 | C24 | C25 | H4 | 179.8° | 180.0° |
| C23 | C28 | O29 | O30 | 177.7° | 180.0° |
| C28 | C23 | C22 | H1 | 0.3° | 0.1° |
| C28 | C23 | C24 | H2 | 0.7° | 0.1° |
| C23 | C28 | O30 | H32 | 178.0° | 180.0° |
| O29 | C28 | O30 | H32 | 0.0° | 0.0° |
| H1 | C22 | C21 | H3 | 0.5° | 0.2° |
| H2 | C24 | C25 | H4 | 0.1° | 0.5° |
| H5 | C14 | C15 | H9 | 40.4° | 60.0° |
| H5 | C14 | C15 | H10 | 158.8° | 60.0° |
| H5 | C14 | C13 | H28 | 160.8° | 60.0° |
| H6 | C14 | C15 | H9 | 78.0° | 60.0° |
| H6 | C14 | C15 | H10 | 40.4° | 179.9° |
| H6 | C14 | C13 | H28 | 42.4° | 180.0° |
| H7 | C12 | C17 | H11 | 64.9° | 179.9° |
| H7 | C12 | C17 | H12 | 55.0° | 60.0° |
| H7 | C12 | C13 | H28 | 53.7° | NaN° |
| H8 | C12 | C17 | H11 | 175.3° | 60.0° |
| H8 | C12 | C17 | H12 | 64.9° | 60.0° |
| H8 | C12 | C13 | H28 | 173.5° | 60.0° |
| H9 | C15 | C16 | H29 | 46.3° | 60.0° |
| H10 | C15 | C16 | H29 | 164.7° | 180.0° |
| H11 | C17 | C16 | H29 | 177.7° | 179.9° |
| H12 | C17 | C16 | H29 | 57.8° | 60.0° |
| H13 | C6 | C1 | H25 | 59.9° | 59.9° |
| H13 | C6 | C5 | H26 | 60.5° | 60.0° |
| H14 | C6 | C1 | H25 | 60.2° | 60.0° |
| H14 | C6 | C5 | H26 | 59.6° | 60.0° |
| H15 | C9 | C1 | H25 | 59.9° | 60.0° |
| H15 | C9 | C3 | H27 | 58.6° | 60.0° |
| H16 | C9 | C1 | H25 | 59.7° | 60.0° |
| H16 | C9 | C3 | H27 | 61.1° | 60.0° |
| H17 | C4 | C5 | H26 | 60.8° | 60.0° |
| H17 | C4 | C3 | H27 | 61.3° | 60.0° |
| H18 | C4 | C5 | H26 | 59.6° | 60.0° |
| H18 | C4 | C3 | H27 | 59.0° | 60.0° |
| H19 | C2 | C1 | H25 | 60.6° | 60.0° |
| H20 | C2 | C1 | H25 | 59.2° | 60.0° |
| H21 | C10 | C5 | H26 | 59.4° | 60.0° |
| H22 | C10 | C5 | H26 | 60.6° | 60.0° |
| H23 | C8 | C3 | H27 | 59.1° | 60.0° |
| H24 | C8 | C3 | H27 | 60.1° | 60.0° |
| H28 | C13 | N18 | H30 | 173.9° | 145.0° |
