0YB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| N7 | C5 | sing | 1.35Å | 1.38Å | |
| N7 | C8 | sing | 1.35Å | 1.39Å | |
| O6 | C5 | doub | 1.22Å | 1.22Å | |
| C5 | N4 | sing | 1.35Å | 1.38Å | |
| C10 | N4 | sing | 1.47Å | 1.45Å | |
| C10 | C15 | sing | 1.53Å | 1.52Å | |
| N4 | C3 | sing | 1.37Å | 1.38Å | |
| O9 | C8 | doub | 1.22Å | 1.23Å | |
| C8 | C2 | sing | 1.42Å | 1.46Å | |
| C3 | C2 | doub | 1.35Å | 1.34Å | |
| C2 | C1 | sing | 1.51Å | 1.49Å | |
| C13 | N14 | sing | 1.47Å | 1.47Å | |
| N14 | C15 | sing | 1.47Å | 1.49Å | |
| N14 | C16 | sing | 1.47Å | 1.49Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C16 | C22 | sing | 1.51Å | 1.51Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C18 | sing | 1.53Å | 1.51Å | |
| C31 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | doub | 1.40Å | 1.38Å | Aromatic |
| C27 | C26 | doub | 1.39Å | 1.38Å | Aromatic |
| C30 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | C21 | sing | 1.53Å | 1.51Å | |
| C32 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.40Å | 1.38Å | Aromatic |
| C25 | C36 | sing | 1.47Å | 1.47Å | |
| C26 | O28 | sing | 1.36Å | 1.38Å | |
| C29 | O28 | sing | 1.36Å | 1.38Å | |
| C29 | C34 | doub | 1.39Å | 1.38Å | Aromatic |
| C36 | O37 | doub | 1.21Å | 1.22Å | |
| C36 | O38 | sing | 1.35Å | 1.35Å | |
| C33 | C34 | sing | 1.38Å | 1.37Å | Aromatic |
| C33 | BR3 | sing | 1.89Å | 1.89Å | |
| C31 | H1 | sing | 1.08Å | 1.08Å | |
| C24 | H2 | sing | 1.08Å | 1.08Å | |
| C23 | H3 | sing | 1.08Å | 1.08Å | |
| C30 | H4 | sing | 1.08Å | 1.08Å | |
| C32 | H5 | sing | 1.08Å | 1.08Å | |
| C27 | H6 | sing | 1.08Å | 1.08Å | |
| C34 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| C16 | H32 | sing | 1.09Å | 1.10Å | |
| N7 | H33 | sing | 0.97Å | 1.00Å | |
| O38 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | C10 | 110.7° | 109.2° |
| C11 | C12 | C13 | 111.1° | 109.3° |
| C11 | C12 | H9 | 109.0° | 109.4° |
| C11 | C12 | H10 | 109.0° | 109.6° |
| C12 | C11 | H11 | 109.2° | 109.5° |
| C12 | C11 | H12 | 109.2° | 109.5° |
| C11 | C10 | N4 | 113.9° | 109.5° |
| C11 | C10 | C15 | 111.1° | 109.3° |
| C10 | C11 | H11 | 109.2° | 109.5° |
| C10 | C11 | H12 | 109.2° | 109.5° |
| C11 | C10 | H17 | 106.0° | 109.5° |
| C12 | C13 | N14 | 111.3° | 109.5° |
| C13 | C12 | H9 | 109.1° | 109.5° |
| C13 | C12 | H10 | 109.0° | 109.5° |
| C12 | C13 | H13 | 109.0° | 109.5° |
| C12 | C13 | H14 | 109.0° | 109.5° |
| C5 | N7 | C8 | 125.5° | 120.2° |
| N7 | C5 | O6 | 121.4° | 119.5° |
| N7 | C5 | N4 | 115.5° | 121.0° |
| C5 | N7 | H33 | 117.3° | 119.9° |
| N7 | C8 | O9 | 120.1° | 120.3° |
| N7 | C8 | C2 | 115.6° | 119.4° |
| C8 | N7 | H33 | 117.3° | 119.9° |
| O6 | C5 | N4 | 123.0° | 119.5° |
| C5 | N4 | C10 | 117.3° | 119.7° |
| C5 | N4 | C3 | 121.8° | 120.6° |
| N4 | C10 | C15 | 112.4° | 109.5° |
| C10 | N4 | C3 | 120.7° | 119.7° |
| N4 | C10 | H17 | 106.8° | 109.5° |
| C10 | C15 | N14 | 112.2° | 109.5° |
| C10 | C15 | H15 | 108.8° | 109.4° |
| C10 | C15 | H16 | 108.8° | 109.4° |
| C15 | C10 | H17 | 106.0° | 109.6° |
| N4 | C3 | C2 | 122.2° | 119.7° |
| N4 | C3 | H8 | 118.9° | 120.2° |
| O9 | C8 | C2 | 124.3° | 120.3° |
| C8 | C2 | C3 | 119.1° | 119.1° |
| C8 | C2 | C1 | 118.6° | 120.5° |
| C3 | C2 | C1 | 122.3° | 120.4° |
| C2 | C3 | H8 | 118.9° | 120.1° |
| C2 | C1 | H18 | 109.5° | 109.5° |
| C2 | C1 | H19 | 109.5° | 109.5° |
| C2 | C1 | H20 | 109.4° | 109.5° |
| C13 | N14 | C15 | 110.5° | 111.2° |
| C13 | N14 | C16 | 115.4° | 111.0° |
| N14 | C13 | H13 | 109.0° | 109.5° |
| N14 | C13 | H14 | 109.0° | 109.4° |
| C15 | N14 | C16 | 111.2° | 111.0° |
| N14 | C15 | H15 | 108.8° | 109.5° |
| N14 | C15 | H16 | 108.8° | 109.5° |
| N14 | C16 | C17 | 112.6° | 109.5° |
| N14 | C16 | C22 | 113.9° | 109.5° |
| N14 | C16 | H32 | 105.8° | 109.4° |
| C17 | C16 | C22 | 112.8° | 109.5° |
| C16 | C17 | C18 | 122.5° | 109.5° |
| C16 | C17 | H30 | 106.1° | 109.5° |
| C16 | C17 | H31 | 106.1° | 109.5° |
| C17 | C16 | H32 | 105.2° | 109.5° |
| C16 | C22 | C23 | 119.8° | 119.8° |
| C16 | C22 | C27 | 121.5° | 119.8° |
| C22 | C16 | H32 | 105.6° | 109.4° |
| C17 | C18 | C20 | 113.7° | 109.5° |
| C17 | C18 | C19 | 105.9° | 109.5° |
| C17 | C18 | C21 | 113.4° | 109.4° |
| C18 | C17 | H30 | 106.1° | 109.4° |
| C18 | C17 | H31 | 106.1° | 109.5° |
| C22 | C23 | C24 | 121.1° | 120.3° |
| C23 | C22 | C27 | 118.7° | 120.4° |
| C22 | C23 | H3 | 119.4° | 119.8° |
| C23 | C24 | C25 | 119.2° | 119.9° |
| C23 | C24 | H2 | 120.4° | 120.0° |
| C24 | C23 | H3 | 119.5° | 119.8° |
| C22 | C27 | C26 | 120.5° | 120.0° |
| C22 | C27 | H6 | 119.8° | 120.0° |
| C20 | C18 | C19 | 107.4° | 109.5° |
| C20 | C18 | C21 | 109.6° | 109.4° |
| C18 | C20 | H24 | 109.5° | 109.4° |
| C18 | C20 | H25 | 109.5° | 109.5° |
| C18 | C20 | H26 | 109.4° | 109.5° |
| C30 | C31 | C32 | 120.3° | 120.1° |
| C31 | C30 | C29 | 118.6° | 120.0° |
| C30 | C31 | H1 | 119.8° | 119.9° |
| C31 | C30 | H4 | 120.7° | 120.0° |
| C31 | C32 | C33 | 119.7° | 120.1° |
| C32 | C31 | H1 | 119.8° | 120.0° |
| C31 | C32 | H5 | 120.2° | 119.9° |
| C24 | C25 | C26 | 120.1° | 119.6° |
| C24 | C25 | C36 | 120.6° | 120.2° |
| C25 | C24 | H2 | 120.4° | 120.1° |
| C27 | C26 | C25 | 120.4° | 119.7° |
| C27 | C26 | O28 | 119.4° | 120.1° |
| C26 | C27 | H6 | 119.8° | 120.0° |
| C30 | C29 | O28 | 123.0° | 120.0° |
| C30 | C29 | C34 | 121.8° | 119.9° |
| C29 | C30 | H4 | 120.7° | 120.0° |
| C19 | C18 | C21 | 106.4° | 109.4° |
| C18 | C19 | H21 | 109.5° | 109.4° |
| C18 | C19 | H22 | 109.5° | 109.5° |
| C18 | C19 | H23 | 109.5° | 109.5° |
| C18 | C21 | H27 | 109.5° | 109.5° |
| C18 | C21 | H28 | 109.5° | 109.5° |
| C18 | C21 | H29 | 109.5° | 109.5° |
| C32 | C33 | C34 | 121.2° | 120.0° |
| C32 | C33 | BR3 | 120.5° | 120.0° |
| C33 | C32 | H5 | 120.1° | 120.0° |
| C26 | C25 | C36 | 119.3° | 120.2° |
| C25 | C26 | O28 | 120.2° | 120.2° |
| C25 | C36 | O37 | 123.6° | 120.0° |
| C25 | C36 | O38 | 110.1° | 120.0° |
| C26 | O28 | C29 | 120.3° | 118.0° |
| O28 | C29 | C34 | 115.1° | 120.1° |
| C29 | C34 | C33 | 118.3° | 119.9° |
| C29 | C34 | H7 | 120.8° | 120.0° |
| O37 | C36 | O38 | 126.3° | 120.0° |
| C36 | O38 | H35 | 109.5° | 117.0° |
| C34 | C33 | BR3 | 118.2° | 120.0° |
| C33 | C34 | H7 | 120.9° | 120.1° |
| H9 | C12 | H10 | 109.5° | 109.5° |
| H11 | C11 | H12 | 109.5° | 109.6° |
| H13 | C13 | H14 | 109.5° | 109.5° |
| H15 | C15 | H16 | 109.5° | 109.4° |
| H18 | C1 | H19 | 109.5° | 109.5° |
| H18 | C1 | H20 | 109.5° | 109.4° |
| H19 | C1 | H20 | 109.5° | 109.4° |
| H21 | C19 | H22 | 109.5° | 109.4° |
| H21 | C19 | H23 | 109.4° | 109.4° |
| H22 | C19 | H23 | 109.5° | 109.5° |
| H24 | C20 | H25 | 109.5° | 109.5° |
| H24 | C20 | H26 | 109.5° | 109.4° |
| H25 | C20 | H26 | 109.5° | 109.5° |
| H27 | C21 | H28 | 109.5° | 109.5° |
| H27 | C21 | H29 | 109.5° | 109.5° |
| H28 | C21 | H29 | 109.5° | 109.5° |
| H30 | C17 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | C10 | H11 | 120.2° | 119.9° |
| C12 | C11 | C10 | H12 | 120.2° | 120.0° |
| C11 | C12 | C13 | H9 | 120.2° | 119.9° |
| C11 | C12 | C13 | H10 | 120.2° | 120.1° |
| C12 | C11 | C10 | N4 | 180.0° | 177.5° |
| C12 | C11 | C10 | C15 | 51.8° | 57.6° |
| C11 | C12 | C13 | N14 | 57.0° | 59.1° |
| C11 | C12 | H9 | H10 | 119.2° | 120.1° |
| C12 | C11 | H11 | H12 | 119.5° | 120.1° |
| C11 | C12 | C13 | H13 | 177.3° | 179.1° |
| C11 | C12 | C13 | H14 | 63.3° | 60.9° |
| C12 | C11 | C10 | H17 | 62.9° | 62.4° |
| C10 | C11 | C12 | C13 | 53.0° | 57.6° |
| C11 | C10 | N4 | C5 | 137.9° | 60.0° |
| C11 | C10 | N4 | C15 | 127.5° | 119.8° |
| C11 | C10 | N4 | H17 | 116.6° | 120.1° |
| C11 | C10 | C15 | H17 | 114.7° | 120.0° |
| C11 | C10 | N4 | C3 | 46.9° | 119.5° |
| C11 | C10 | C15 | N14 | 54.7° | 59.2° |
| C10 | C11 | C12 | H9 | 67.3° | 62.3° |
| C10 | C11 | C12 | H10 | 173.2° | 177.6° |
| C10 | C11 | H11 | H12 | 119.4° | 120.2° |
| C11 | C10 | C15 | H15 | 65.7° | 60.9° |
| C11 | C10 | C15 | H16 | 175.1° | 179.2° |
| C12 | C13 | N14 | H13 | 120.3° | 120.1° |
| C12 | C13 | N14 | H14 | 120.3° | 120.0° |
| C12 | C13 | N14 | C15 | 58.9° | 61.7° |
| C12 | C13 | N14 | C16 | 173.8° | 174.1° |
| C13 | C12 | H9 | H10 | 119.3° | 120.1° |
| C13 | C12 | C11 | H11 | 67.2° | 62.3° |
| C13 | C12 | C11 | H12 | 173.2° | 177.6° |
| C12 | C13 | H13 | H14 | 119.1° | 120.0° |
| C5 | N7 | C8 | H33 | 180.0° | 179.7° |
| N7 | C5 | O6 | N4 | 178.6° | 179.9° |
| N7 | C5 | N4 | C10 | 177.5° | 180.0° |
| N7 | C5 | N4 | C3 | 7.3° | 0.6° |
| C5 | N7 | C8 | O9 | 177.4° | 179.9° |
| C5 | N7 | C8 | C2 | 2.2° | 0.0° |
| C8 | N7 | C5 | O6 | 175.4° | 179.7° |
| C8 | N7 | C5 | N4 | 5.9° | 0.3° |
| N7 | C8 | O9 | C2 | 179.5° | 179.9° |
| N7 | C8 | C2 | C3 | 0.3° | 0.0° |
| N7 | C8 | C2 | C1 | 178.2° | 179.9° |
| O6 | C5 | N4 | C10 | 1.2° | 0.0° |
| O6 | C5 | N4 | C3 | 174.0° | 179.4° |
| O6 | C5 | N7 | H33 | 4.6° | 0.0° |
| C5 | N4 | C10 | C3 | 175.2° | 179.4° |
| C5 | N4 | C10 | C15 | 94.5° | 59.8° |
| C5 | N4 | C3 | C2 | 5.4° | 0.6° |
| C5 | N4 | C3 | H8 | 174.6° | 179.6° |
| C5 | N4 | C10 | H17 | 21.3° | 180.0° |
| N4 | C5 | N7 | H33 | 174.1° | 180.0° |
| N4 | C10 | C15 | H17 | 116.3° | 120.1° |
| C10 | N4 | C3 | C2 | 179.6° | 180.0° |
| N4 | C10 | C15 | N14 | 176.3° | 179.1° |
| C10 | N4 | C3 | H8 | 0.4° | 0.2° |
| N4 | C10 | C11 | H11 | 59.8° | 57.7° |
| N4 | C10 | C11 | H12 | 59.8° | 62.5° |
| N4 | C10 | C15 | H15 | 63.3° | 59.1° |
| N4 | C10 | C15 | H16 | 55.9° | 60.9° |
| C15 | C10 | N4 | C3 | 80.7° | 120.8° |
| C10 | C15 | N14 | C13 | 58.1° | 61.7° |
| C10 | C15 | N14 | H15 | 120.4° | 120.0° |
| C10 | C15 | N14 | H16 | 120.4° | 120.0° |
| C10 | C15 | N14 | C16 | 172.3° | 174.1° |
| C15 | C10 | C11 | H11 | 68.4° | 62.2° |
| C15 | C10 | C11 | H12 | 172.0° | 177.6° |
| C10 | C15 | H15 | H16 | 118.8° | 119.9° |
| N4 | C3 | C2 | C8 | 1.3° | 0.3° |
| N4 | C3 | C2 | H8 | 180.0° | 179.8° |
| N4 | C3 | C2 | C1 | 179.8° | 179.8° |
| C3 | N4 | C10 | H17 | 163.5° | 0.6° |
| O9 | C8 | C2 | C3 | 179.9° | 180.0° |
| O9 | C8 | C2 | C1 | 1.3° | 0.0° |
| O9 | C8 | N7 | H33 | 2.6° | 0.3° |
| C8 | C2 | C3 | C1 | 178.5° | 180.0° |
| C8 | C2 | C3 | H8 | 178.7° | 180.0° |
| C8 | C2 | C1 | H18 | 180.0° | 90.0° |
| C8 | C2 | C1 | H19 | 60.0° | 30.0° |
| C8 | C2 | C1 | H20 | 60.0° | 150.0° |
| C2 | C8 | N7 | H33 | 177.8° | 179.7° |
| C3 | C2 | C1 | H18 | 1.5° | 90.0° |
| C3 | C2 | C1 | H19 | 121.5° | 150.0° |
| C3 | C2 | C1 | H20 | 118.5° | 30.0° |
| C1 | C2 | C3 | H8 | 0.2° | 0.0° |
| C2 | C1 | H18 | H19 | 120.0° | 120.0° |
| C2 | C1 | H18 | H20 | 120.0° | 120.0° |
| C2 | C1 | H19 | H20 | 120.0° | 120.0° |
| C13 | N14 | C15 | C16 | 129.6° | 124.2° |
| C13 | N14 | C16 | C17 | 171.1° | 64.6° |
| C13 | N14 | C16 | C22 | 58.9° | 175.3° |
| N14 | C13 | C12 | H9 | 63.2° | 60.8° |
| N14 | C13 | C12 | H10 | 177.2° | 179.2° |
| N14 | C13 | H13 | H14 | 119.1° | 119.9° |
| C13 | N14 | C15 | H15 | 62.4° | 58.3° |
| C13 | N14 | C15 | H16 | 178.5° | 178.3° |
| C13 | N14 | C16 | H32 | 56.6° | 55.4° |
| C15 | N14 | C16 | C17 | 61.9° | 171.1° |
| C15 | N14 | C16 | C22 | 68.1° | 51.0° |
| C15 | N14 | C13 | H13 | 179.1° | 178.2° |
| C15 | N14 | C13 | H14 | 61.4° | 58.3° |
| N14 | C15 | H15 | H16 | 118.7° | 120.0° |
| N14 | C15 | C10 | H17 | 60.0° | 60.8° |
| C15 | N14 | C16 | H32 | 176.4° | 68.9° |
| N14 | C16 | C17 | C22 | 130.6° | 120.1° |
| N14 | C16 | C17 | H32 | 114.8° | 120.0° |
| N14 | C16 | C22 | H32 | 115.7° | 119.9° |
| N14 | C16 | C17 | C18 | 149.1° | 169.6° |
| N14 | C16 | C22 | C23 | 84.6° | 62.0° |
| N14 | C16 | C22 | C27 | 94.5° | 118.1° |
| C16 | N14 | C13 | H13 | 53.5° | 54.1° |
| C16 | N14 | C13 | H14 | 65.9° | 65.9° |
| C16 | N14 | C15 | H15 | 67.3° | 65.9° |
| C16 | N14 | C15 | H16 | 51.9° | 54.1° |
| N14 | C16 | C17 | H30 | 89.1° | 70.5° |
| N14 | C16 | C17 | H31 | 27.3° | 49.6° |
| C17 | C16 | C22 | H32 | 114.4° | 120.0° |
| C16 | C17 | C18 | H30 | 121.8° | 120.0° |
| C16 | C17 | C18 | H31 | 121.8° | 120.1° |
| C17 | C16 | C22 | C23 | 145.4° | 58.1° |
| C17 | C16 | C22 | C27 | 35.5° | 121.9° |
| C16 | C17 | C18 | C20 | 57.2° | 65.3° |
| C16 | C17 | C18 | C19 | 174.8° | 174.6° |
| C16 | C17 | C18 | C21 | 69.0° | 54.7° |
| C16 | C17 | H30 | H31 | 114.1° | 120.1° |
| C22 | C16 | C17 | C18 | 80.3° | 70.4° |
| C16 | C22 | C23 | C27 | 179.1° | 179.9° |
| C16 | C22 | C23 | C24 | 177.9° | 180.0° |
| C16 | C22 | C27 | C26 | 179.2° | 179.7° |
| C16 | C22 | C23 | H3 | 2.1° | 0.1° |
| C16 | C22 | C27 | H6 | 0.8° | 0.2° |
| C22 | C16 | C17 | H30 | 41.4° | 49.6° |
| C22 | C16 | C17 | H31 | 157.9° | 169.6° |
| C17 | C18 | C20 | C19 | 116.8° | 120.1° |
| C17 | C18 | C20 | C21 | 128.1° | 120.0° |
| C17 | C18 | C19 | C21 | 120.9° | 120.0° |
| C17 | C18 | C19 | H21 | 180.0° | 60.0° |
| C17 | C18 | C19 | H22 | 60.0° | 59.9° |
| C17 | C18 | C19 | H23 | 60.0° | 180.0° |
| C17 | C18 | C20 | H24 | 180.0° | 45.0° |
| C17 | C18 | C20 | H25 | 60.0° | 165.0° |
| C17 | C18 | C20 | H26 | 60.0° | 74.9° |
| C17 | C18 | C21 | H27 | 180.0° | 173.7° |
| C17 | C18 | C21 | H28 | 60.0° | 53.8° |
| C17 | C18 | C21 | H29 | 60.0° | 66.3° |
| C18 | C17 | H30 | H31 | 114.1° | 120.0° |
| C18 | C17 | C16 | H32 | 34.3° | 49.6° |
| C22 | C23 | C24 | H3 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 1.9° | 0.0° |
| C23 | C22 | C27 | C26 | 0.1° | 0.2° |
| C22 | C23 | C24 | H2 | 178.0° | 179.7° |
| C23 | C22 | C27 | H6 | 179.9° | 179.7° |
| C23 | C22 | C16 | H32 | 31.0° | 178.1° |
| C24 | C23 | C22 | C27 | 1.2° | 0.0° |
| C23 | C24 | C25 | H2 | 180.0° | 179.7° |
| C23 | C24 | C25 | C26 | 1.4° | 0.3° |
| C23 | C24 | C25 | C36 | 179.8° | 179.8° |
| C22 | C27 | C26 | H6 | 180.0° | 179.5° |
| C22 | C27 | C26 | C25 | 0.6° | 0.5° |
| C22 | C27 | C26 | O28 | 176.7° | 180.0° |
| C27 | C22 | C23 | H3 | 178.8° | 180.0° |
| C27 | C22 | C16 | H32 | 149.8° | 1.9° |
| C20 | C18 | C19 | C21 | 117.2° | 120.0° |
| C20 | C18 | C19 | H21 | 58.1° | 60.1° |
| C20 | C18 | C19 | H22 | 178.2° | 180.0° |
| C20 | C18 | C19 | H23 | 61.8° | 59.9° |
| C18 | C20 | H24 | H25 | 120.0° | 120.0° |
| C18 | C20 | H24 | H26 | 120.0° | 120.0° |
| C18 | C20 | H25 | H26 | 120.0° | 120.1° |
| C20 | C18 | C21 | H27 | 51.7° | 66.3° |
| C20 | C18 | C21 | H28 | 68.3° | 173.8° |
| C20 | C18 | C21 | H29 | 171.7° | 53.7° |
| C20 | C18 | C17 | H30 | 178.9° | 54.7° |
| C20 | C18 | C17 | H31 | 64.7° | 174.7° |
| C30 | C31 | C32 | H1 | 180.0° | 179.7° |
| C31 | C30 | C29 | H4 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 1.8° | 0.0° |
| C31 | C30 | C29 | O28 | 177.3° | 180.0° |
| C31 | C30 | C29 | C34 | 0.5° | 0.0° |
| C30 | C31 | C32 | H5 | 178.2° | 180.0° |
| C32 | C31 | C30 | C29 | 1.4° | 0.0° |
| C31 | C32 | C33 | H5 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 1.4° | 0.1° |
| C31 | C32 | C33 | BR3 | 178.3° | 180.0° |
| C32 | C31 | C30 | H4 | 178.6° | 180.0° |
| C24 | C25 | C26 | C27 | 0.2° | 0.6° |
| C24 | C25 | C26 | C36 | 178.4° | 179.9° |
| C24 | C25 | C26 | O28 | 177.5° | 180.0° |
| C24 | C25 | C36 | O37 | 128.8° | 180.0° |
| C24 | C25 | C36 | O38 | 51.6° | 0.1° |
| C25 | C24 | C23 | H3 | 178.1° | 179.9° |
| C27 | C26 | C25 | O28 | 177.3° | 179.5° |
| C27 | C26 | C25 | C36 | 178.6° | 179.5° |
| C27 | C26 | O28 | C29 | 74.1° | 5.0° |
| C30 | C29 | O28 | C26 | 31.6° | 102.0° |
| C30 | C29 | O28 | C34 | 178.0° | 180.0° |
| C30 | C29 | C34 | C33 | 0.1° | 0.0° |
| C29 | C30 | C31 | H1 | 178.6° | 179.7° |
| C30 | C29 | C34 | H7 | 179.9° | 180.0° |
| C18 | C19 | H21 | H22 | 120.0° | 120.0° |
| C18 | C19 | H21 | H23 | 120.0° | 120.0° |
| C18 | C19 | H22 | H23 | 120.0° | 120.1° |
| C19 | C18 | C20 | H24 | 63.2° | 75.0° |
| C19 | C18 | C20 | H25 | 56.8° | 44.9° |
| C19 | C18 | C20 | H26 | 176.8° | 165.0° |
| C19 | C18 | C21 | H27 | 64.1° | 53.7° |
| C19 | C18 | C21 | H28 | 175.9° | 66.3° |
| C19 | C18 | C21 | H29 | 56.0° | 173.7° |
| C19 | C18 | C17 | H30 | 63.4° | 65.4° |
| C19 | C18 | C17 | H31 | 53.0° | 54.6° |
| C21 | C18 | C19 | H21 | 59.1° | 180.0° |
| C21 | C18 | C19 | H22 | 60.9° | 60.0° |
| C21 | C18 | C19 | H23 | 179.1° | 60.0° |
| C21 | C18 | C20 | H24 | 51.9° | 165.0° |
| C21 | C18 | C20 | H25 | 171.9° | 75.0° |
| C21 | C18 | C20 | H26 | 68.1° | 45.0° |
| C18 | C21 | H27 | H28 | 120.0° | 120.0° |
| C18 | C21 | H27 | H29 | 120.0° | 120.0° |
| C18 | C21 | H28 | H29 | 120.0° | 120.0° |
| C21 | C18 | C17 | H30 | 52.8° | 174.6° |
| C21 | C18 | C17 | H31 | 169.2° | 65.4° |
| C32 | C33 | C34 | C29 | 0.5° | 0.0° |
| C32 | C33 | C34 | BR3 | 176.9° | 179.9° |
| C33 | C32 | C31 | H1 | 178.2° | 179.8° |
| C32 | C33 | C34 | H7 | 179.4° | 180.0° |
| C25 | C26 | O28 | C29 | 108.5° | 174.5° |
| C26 | C25 | C36 | O37 | 49.6° | 0.1° |
| C26 | C25 | C36 | O38 | 130.0° | 180.0° |
| C26 | C25 | C24 | H2 | 178.6° | 180.0° |
| C25 | C26 | C27 | H6 | 179.4° | 180.0° |
| C36 | C25 | C26 | O28 | 4.1° | 0.0° |
| C25 | C36 | O37 | O38 | 179.6° | 179.9° |
| C36 | C25 | C24 | H2 | 0.2° | 0.1° |
| C25 | C36 | O38 | H35 | 179.6° | 180.0° |
| C26 | O28 | C29 | C34 | 150.4° | 78.0° |
| O28 | C26 | C27 | H6 | 3.3° | 0.5° |
| O28 | C29 | C34 | C33 | 177.9° | 179.9° |
| O28 | C29 | C30 | H4 | 2.7° | 0.0° |
| O28 | C29 | C34 | H7 | 2.2° | 0.0° |
| C29 | C34 | C33 | H7 | 180.0° | 180.0° |
| C29 | C34 | C33 | BR3 | 177.5° | 180.0° |
| C34 | C29 | C30 | H4 | 179.5° | 180.0° |
| O37 | C36 | O38 | H35 | 0.0° | 0.1° |
| C34 | C33 | C32 | H5 | 178.6° | 179.9° |
| BR3 | C33 | C32 | H5 | 1.7° | 0.0° |
| BR3 | C33 | C34 | H7 | 2.5° | 0.1° |
| H1 | C31 | C30 | H4 | 1.4° | 0.3° |
| H1 | C31 | C32 | H5 | 1.8° | 0.2° |
| H2 | C24 | C23 | H3 | 1.9° | 0.2° |
| H9 | C12 | C11 | H11 | 172.6° | 177.8° |
| H9 | C12 | C11 | H12 | 52.9° | 57.7° |
| H9 | C12 | C13 | H13 | 57.1° | 59.3° |
| H9 | C12 | C13 | H14 | 176.5° | 179.3° |
| H10 | C12 | C11 | H11 | 53.0° | 57.8° |
| H10 | C12 | C11 | H12 | 66.6° | 62.4° |
| H10 | C12 | C13 | H13 | 62.5° | 60.8° |
| H10 | C12 | C13 | H14 | 57.0° | 59.2° |
| H11 | C11 | C10 | H17 | 176.9° | 177.7° |
| H12 | C11 | C10 | H17 | 57.3° | 57.6° |
| H15 | C15 | C10 | H17 | 179.6° | 179.2° |
| H16 | C15 | C10 | H17 | 60.4° | 59.2° |
| H18 | C1 | H19 | H20 | 120.0° | 119.9° |
| H21 | C19 | H22 | H23 | 120.0° | 120.0° |
| H24 | C20 | H25 | H26 | 120.0° | 120.0° |
| H27 | C21 | H28 | H29 | 120.0° | 120.0° |
| H30 | C17 | C16 | H32 | 156.0° | 169.6° |
| H31 | C17 | C16 | H32 | 87.5° | 70.4° |
