4TH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O24 | C10 | doub | 1.21Å | 1.21Å | |
| C11 | C10 | sing | 1.50Å | 1.51Å | |
| C11 | C12 | sing | 1.50Å | 1.54Å | |
| C10 | N9 | sing | 1.33Å | 1.37Å | |
| C38 | N35 | doub | 1.32Å | 1.36Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.42Å | Aromatic |
| N35 | C37 | sing | 1.32Å | 1.36Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.42Å | Aromatic |
| C19 | O18 | sing | 1.43Å | 1.43Å | |
| C39 | C40 | doub | 1.39Å | 1.40Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C25 | sing | 1.39Å | 1.42Å | Aromatic |
| N9 | C25 | sing | 1.40Å | 1.42Å | |
| N9 | C8 | sing | 1.45Å | 1.50Å | |
| C29 | C28 | sing | 1.39Å | 1.42Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | O18 | sing | 1.36Å | 1.40Å | |
| C16 | C15 | doub | 1.39Å | 1.41Å | Aromatic |
| C33 | N32 | sing | 1.47Å | 1.43Å | |
| C28 | N32 | sing | 1.40Å | 1.43Å | |
| C28 | C27 | doub | 1.39Å | 1.41Å | Aromatic |
| C13 | C8 | sing | 1.50Å | 1.49Å | |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C37 | C36 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | C5 | sing | 1.51Å | 1.55Å | |
| C40 | C36 | sing | 1.39Å | 1.41Å | Aromatic |
| C40 | C34 | sing | 1.51Å | 1.52Å | |
| C5 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| N32 | C34 | sing | 1.46Å | 1.44Å | |
| C2 | CL1 | sing | 1.74Å | 1.73Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | O21 | sing | 1.36Å | 1.41Å | |
| C4 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| O21 | C22 | sing | 1.43Å | 1.44Å | |
| C23 | C22 | sing | 1.53Å | 1.56Å | |
| C23 | C41 | sing | 1.53Å | 1.51Å | |
| C22 | C31 | sing | 1.53Å | 1.52Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C41 | H2 | sing | 1.09Å | 1.10Å | |
| C41 | H3 | sing | 1.09Å | 1.10Å | |
| C41 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.08Å | 1.08Å | |
| C27 | H16 | sing | 1.08Å | 1.08Å | |
| C29 | H17 | sing | 1.08Å | 1.08Å | |
| C30 | H18 | sing | 1.08Å | 1.08Å | |
| C4 | H19 | sing | 1.08Å | 1.08Å | |
| C6 | H20 | sing | 1.08Å | 1.08Å | |
| C7 | H21 | sing | 1.08Å | 1.08Å | |
| C8 | H22 | sing | 1.09Å | 1.10Å | |
| C31 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å | |
| C33 | H26 | sing | 1.09Å | 1.10Å | |
| C33 | H27 | sing | 1.09Å | 1.10Å | |
| C33 | H28 | sing | 1.09Å | 1.10Å | |
| C34 | H29 | sing | 1.09Å | 1.10Å | |
| C34 | H30 | sing | 1.09Å | 1.10Å | |
| C36 | H31 | sing | 1.08Å | 1.08Å | |
| C37 | H32 | sing | 1.08Å | 1.08Å | |
| C38 | H33 | sing | 1.08Å | 1.08Å | |
| C39 | H34 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O24 | C10 | C11 | 117.3° | 118.6° |
| O24 | C10 | N9 | 120.7° | 118.6° |
| C10 | C11 | C12 | 109.8° | 111.1° |
| C11 | C10 | N9 | 122.0° | 122.8° |
| C10 | C11 | H5 | 109.4° | 109.2° |
| C10 | C11 | H6 | 109.4° | 109.1° |
| C11 | C12 | C17 | 119.4° | 118.6° |
| C11 | C12 | C13 | 122.7° | 121.4° |
| C12 | C11 | H5 | 109.4° | 109.1° |
| C12 | C11 | H6 | 109.4° | 109.1° |
| C10 | N9 | C25 | 123.2° | 118.2° |
| C10 | N9 | C8 | 124.6° | 123.6° |
| N35 | C38 | C39 | 119.1° | 120.7° |
| C38 | N35 | C37 | 122.9° | 121.8° |
| N35 | C38 | H33 | 120.4° | 119.6° |
| C38 | C39 | C40 | 119.8° | 119.2° |
| C39 | C38 | H33 | 120.5° | 119.6° |
| C38 | C39 | H34 | 120.1° | 120.4° |
| C12 | C17 | C16 | 118.7° | 120.4° |
| C17 | C12 | C13 | 117.9° | 120.0° |
| C12 | C17 | H8 | 120.6° | 119.8° |
| C17 | C16 | O18 | 122.8° | 120.2° |
| C17 | C16 | C15 | 122.4° | 119.7° |
| C16 | C17 | H8 | 120.7° | 119.8° |
| N35 | C37 | C36 | 119.3° | 120.7° |
| N35 | C37 | H32 | 120.4° | 119.6° |
| C12 | C13 | C8 | 120.8° | 121.6° |
| C12 | C13 | C14 | 124.0° | 119.8° |
| C19 | O18 | C16 | 122.6° | 117.0° |
| O18 | C19 | H9 | 109.5° | 109.5° |
| O18 | C19 | H10 | 109.5° | 109.5° |
| O18 | C19 | H11 | 109.5° | 109.4° |
| C39 | C40 | C36 | 119.4° | 118.4° |
| C39 | C40 | C34 | 122.9° | 120.8° |
| C40 | C39 | H34 | 120.1° | 120.4° |
| C29 | C30 | C25 | 117.1° | 120.0° |
| C30 | C29 | C28 | 123.3° | 120.0° |
| C30 | C29 | H17 | 118.4° | 120.0° |
| C29 | C30 | H18 | 121.5° | 120.0° |
| C30 | C25 | N9 | 118.8° | 120.0° |
| C30 | C25 | C26 | 121.0° | 120.0° |
| C25 | C30 | H18 | 121.4° | 120.0° |
| C25 | N9 | C8 | 112.1° | 118.2° |
| N9 | C25 | C26 | 120.3° | 120.0° |
| N9 | C8 | C13 | 110.8° | 112.0° |
| N9 | C8 | C5 | 110.6° | 109.0° |
| N9 | C8 | H22 | 108.1° | 108.9° |
| C29 | C28 | N32 | 120.2° | 120.0° |
| C29 | C28 | C27 | 117.9° | 120.0° |
| C28 | C29 | H17 | 118.3° | 120.0° |
| C7 | C6 | C5 | 117.9° | 120.0° |
| C6 | C7 | C2 | 120.0° | 120.0° |
| C7 | C6 | H20 | 121.0° | 120.0° |
| C6 | C7 | H21 | 120.0° | 120.0° |
| C6 | C5 | C8 | 120.3° | 119.9° |
| C6 | C5 | C4 | 120.4° | 120.1° |
| C5 | C6 | H20 | 121.0° | 120.0° |
| C25 | C26 | C27 | 121.0° | 120.0° |
| C25 | C26 | H15 | 119.5° | 120.0° |
| C7 | C2 | CL1 | 117.9° | 120.0° |
| C7 | C2 | C3 | 123.5° | 120.0° |
| C2 | C7 | H21 | 120.0° | 120.0° |
| O18 | C16 | C15 | 114.8° | 120.1° |
| C16 | C15 | C14 | 119.4° | 119.7° |
| C16 | C15 | O21 | 118.8° | 120.2° |
| C33 | N32 | C28 | 118.4° | 120.0° |
| C33 | N32 | C34 | 120.6° | 120.0° |
| N32 | C33 | H26 | 109.5° | 109.5° |
| N32 | C33 | H27 | 109.5° | 109.4° |
| N32 | C33 | H28 | 109.5° | 109.4° |
| N32 | C28 | C27 | 121.9° | 120.0° |
| C28 | N32 | C34 | 121.1° | 120.0° |
| C28 | C27 | C26 | 119.7° | 119.9° |
| C28 | C27 | H16 | 120.1° | 120.0° |
| C8 | C13 | C14 | 115.1° | 118.5° |
| C13 | C8 | C5 | 111.5° | 109.0° |
| C13 | C8 | H22 | 108.1° | 109.0° |
| C13 | C14 | C15 | 117.6° | 120.4° |
| C13 | C14 | H7 | 121.2° | 119.8° |
| C27 | C26 | H15 | 119.5° | 120.0° |
| C26 | C27 | H16 | 120.1° | 120.0° |
| C37 | C36 | C40 | 119.5° | 119.2° |
| C37 | C36 | H31 | 120.2° | 120.4° |
| C36 | C37 | H32 | 120.4° | 119.6° |
| C8 | C5 | C4 | 119.2° | 120.0° |
| C5 | C8 | H22 | 107.5° | 108.9° |
| C36 | C40 | C34 | 117.7° | 120.8° |
| C40 | C36 | H31 | 120.3° | 120.4° |
| C40 | C34 | N32 | 114.4° | 109.5° |
| C40 | C34 | H29 | 108.2° | 109.5° |
| C40 | C34 | H30 | 108.2° | 109.4° |
| C5 | C4 | C3 | 122.0° | 120.0° |
| C5 | C4 | H19 | 119.0° | 120.0° |
| N32 | C34 | H29 | 108.2° | 109.5° |
| N32 | C34 | H30 | 108.2° | 109.5° |
| CL1 | C2 | C3 | 118.5° | 120.0° |
| C2 | C3 | C4 | 116.1° | 120.0° |
| C2 | C3 | H1 | 121.9° | 120.0° |
| C14 | C15 | O21 | 121.8° | 120.1° |
| C15 | C14 | H7 | 121.2° | 119.7° |
| C15 | O21 | C22 | 126.9° | 117.0° |
| C4 | C3 | H1 | 122.0° | 120.0° |
| C3 | C4 | H19 | 119.0° | 120.0° |
| O21 | C22 | C23 | 108.9° | 109.5° |
| O21 | C22 | C31 | 107.0° | 109.5° |
| O21 | C22 | H12 | 111.4° | 109.4° |
| C22 | C23 | C41 | 109.6° | 109.4° |
| C23 | C22 | C31 | 109.6° | 109.5° |
| C23 | C22 | H12 | 109.7° | 109.5° |
| C22 | C23 | H13 | 109.4° | 109.5° |
| C22 | C23 | H14 | 109.4° | 109.5° |
| C23 | C41 | H2 | 109.5° | 109.5° |
| C23 | C41 | H3 | 109.4° | 109.5° |
| C23 | C41 | H4 | 109.5° | 109.4° |
| C41 | C23 | H13 | 109.4° | 109.5° |
| C41 | C23 | H14 | 109.4° | 109.5° |
| C31 | C22 | H12 | 110.2° | 109.5° |
| C22 | C31 | H23 | 109.5° | 109.5° |
| C22 | C31 | H24 | 109.5° | 109.5° |
| C22 | C31 | H25 | 109.5° | 109.5° |
| H2 | C41 | H3 | 109.5° | 109.5° |
| H2 | C41 | H4 | 109.4° | 109.5° |
| H3 | C41 | H4 | 109.5° | 109.5° |
| H5 | C11 | H6 | 109.5° | 109.1° |
| H9 | C19 | H10 | 109.4° | 109.5° |
| H9 | C19 | H11 | 109.5° | 109.5° |
| H10 | C19 | H11 | 109.5° | 109.5° |
| H13 | C23 | H14 | 109.5° | 109.5° |
| H23 | C31 | H24 | 109.4° | 109.5° |
| H23 | C31 | H25 | 109.5° | 109.4° |
| H24 | C31 | H25 | 109.5° | 109.5° |
| H26 | C33 | H27 | 109.5° | 109.5° |
| H26 | C33 | H28 | 109.5° | 109.5° |
| H27 | C33 | H28 | 109.5° | 109.4° |
| H29 | C34 | H30 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O24 | C10 | C11 | N9 | 178.8° | 179.9° |
| O24 | C10 | C11 | C12 | 156.9° | 158.9° |
| O24 | C10 | N9 | C25 | 1.5° | 0.6° |
| O24 | C10 | N9 | C8 | 179.1° | 179.4° |
| O24 | C10 | C11 | H5 | 83.1° | 38.5° |
| O24 | C10 | C11 | H6 | 36.8° | 80.7° |
| C10 | C11 | C12 | H5 | 120.0° | 120.5° |
| C10 | C11 | C12 | H6 | 120.0° | 120.4° |
| C10 | C11 | C12 | C17 | 157.3° | 159.3° |
| C10 | C11 | C12 | C13 | 23.0° | 20.7° |
| C11 | C10 | N9 | C25 | 179.7° | 179.4° |
| C11 | C10 | N9 | C8 | 2.1° | 0.7° |
| C10 | C11 | H5 | H6 | 119.9° | 119.2° |
| C12 | C11 | C10 | N9 | 21.9° | 21.0° |
| C11 | C12 | C17 | C13 | 179.7° | 180.0° |
| C11 | C12 | C17 | C16 | 179.6° | 179.9° |
| C11 | C12 | C13 | C8 | 0.1° | 0.1° |
| C11 | C12 | C13 | C14 | 179.6° | 180.0° |
| C12 | C11 | H5 | H6 | 119.9° | 119.1° |
| C11 | C12 | C17 | H8 | 0.4° | 0.0° |
| C10 | N9 | C25 | C30 | 78.8° | 82.6° |
| C10 | N9 | C25 | C8 | 177.9° | 180.0° |
| C10 | N9 | C25 | C26 | 101.8° | 97.2° |
| C10 | N9 | C8 | C13 | 25.6° | 22.1° |
| C10 | N9 | C8 | C5 | 98.6° | 98.6° |
| N9 | C10 | C11 | H5 | 98.1° | 141.4° |
| N9 | C10 | C11 | H6 | 142.0° | 99.4° |
| C10 | N9 | C8 | H22 | 144.0° | 142.7° |
| N35 | C38 | C39 | H33 | 180.0° | 179.9° |
| N35 | C38 | C39 | C40 | 0.2° | 0.0° |
| C38 | N35 | C37 | C36 | 0.4° | 0.0° |
| C38 | N35 | C37 | H32 | 179.6° | 180.0° |
| N35 | C38 | C39 | H34 | 179.8° | 180.0° |
| C39 | C38 | N35 | C37 | 0.0° | 0.0° |
| C38 | C39 | C40 | H34 | 180.0° | 180.0° |
| C38 | C39 | C40 | C36 | 0.0° | 0.0° |
| C38 | C39 | C40 | C34 | 179.5° | 179.9° |
| C12 | C17 | C16 | H8 | 180.0° | 179.9° |
| C12 | C17 | C16 | O18 | 179.8° | 180.0° |
| C12 | C17 | C16 | C15 | 0.2° | 0.1° |
| C17 | C12 | C13 | C8 | 179.8° | 179.9° |
| C17 | C12 | C13 | C14 | 0.1° | 0.1° |
| C17 | C12 | C11 | H5 | 82.7° | 38.9° |
| C17 | C12 | C11 | H6 | 37.2° | 80.3° |
| C16 | C17 | C12 | C13 | 0.2° | 0.1° |
| C17 | C16 | O18 | C19 | 7.1° | 0.1° |
| C17 | C16 | O18 | C15 | 179.7° | 179.9° |
| C17 | C16 | C15 | C14 | 0.2° | 0.1° |
| C17 | C16 | C15 | O21 | 179.6° | 180.0° |
| N35 | C37 | C36 | H32 | 180.0° | 180.0° |
| N35 | C37 | C36 | C40 | 0.6° | 0.0° |
| N35 | C37 | C36 | H31 | 179.4° | 180.0° |
| C37 | N35 | C38 | H33 | 180.0° | 180.0° |
| C12 | C13 | C8 | N9 | 23.6° | 21.5° |
| C12 | C13 | C8 | C14 | 179.7° | 180.0° |
| C12 | C13 | C8 | C5 | 100.0° | 99.2° |
| C12 | C13 | C14 | C15 | 0.2° | 0.0° |
| C13 | C12 | C11 | H5 | 97.0° | 141.2° |
| C13 | C12 | C11 | H6 | 143.0° | 99.7° |
| C12 | C13 | C14 | H7 | 179.8° | 179.9° |
| C13 | C12 | C17 | H8 | 179.9° | 180.0° |
| C12 | C13 | C8 | H22 | 142.0° | 142.1° |
| C19 | O18 | C16 | C15 | 173.2° | 179.9° |
| O18 | C19 | H9 | H10 | 120.0° | 120.0° |
| O18 | C19 | H9 | H11 | 120.0° | 119.9° |
| O18 | C19 | H10 | H11 | 120.0° | 120.0° |
| C39 | C40 | C36 | C37 | 0.4° | 0.0° |
| C39 | C40 | C36 | C34 | 179.5° | 179.9° |
| C39 | C40 | C34 | N32 | 3.1° | 90.0° |
| C39 | C40 | C34 | H29 | 123.9° | 30.1° |
| C39 | C40 | C34 | H30 | 117.6° | 150.0° |
| C39 | C40 | C36 | H31 | 179.6° | 180.0° |
| C40 | C39 | C38 | H33 | 179.8° | 180.0° |
| C29 | C30 | C25 | H18 | 180.0° | 179.9° |
| C29 | C30 | C25 | N9 | 179.6° | 179.7° |
| C30 | C29 | C28 | H17 | 180.0° | 180.0° |
| C29 | C30 | C25 | C26 | 0.2° | 0.0° |
| C30 | C29 | C28 | N32 | 178.8° | 180.0° |
| C30 | C29 | C28 | C27 | 0.6° | 0.1° |
| C30 | C25 | N9 | C26 | 179.4° | 179.7° |
| C30 | C25 | N9 | C8 | 99.1° | 97.4° |
| C25 | C30 | C29 | C28 | 0.1° | 0.1° |
| C30 | C25 | C26 | C27 | 0.4° | 0.0° |
| C30 | C25 | C26 | H15 | 179.6° | 179.9° |
| C25 | C30 | C29 | H17 | 180.0° | 180.0° |
| C25 | N9 | C8 | C13 | 156.5° | 157.9° |
| N9 | C25 | C26 | C27 | 179.0° | 179.7° |
| C25 | N9 | C8 | C5 | 79.3° | 81.4° |
| N9 | C25 | C26 | H15 | 1.0° | 0.3° |
| N9 | C25 | C30 | H18 | 0.4° | 0.2° |
| C25 | N9 | C8 | H22 | 38.2° | 37.4° |
| N9 | C8 | C5 | C6 | 73.3° | 42.5° |
| C8 | N9 | C25 | C26 | 80.4° | 82.9° |
| N9 | C8 | C13 | C5 | 123.7° | 120.7° |
| N9 | C8 | C13 | H22 | 118.3° | 120.6° |
| N9 | C8 | C13 | C14 | 156.7° | 158.5° |
| N9 | C8 | C5 | H22 | 117.8° | 118.7° |
| N9 | C8 | C5 | C4 | 105.2° | 137.5° |
| C29 | C28 | N32 | C33 | 3.2° | 180.0° |
| C29 | C28 | N32 | C27 | 178.1° | 180.0° |
| C29 | C28 | C27 | C26 | 1.2° | 0.0° |
| C29 | C28 | N32 | C34 | 177.9° | 0.0° |
| C29 | C28 | C27 | H16 | 178.8° | 180.0° |
| C28 | C29 | C30 | H18 | 180.0° | 180.0° |
| C7 | C6 | C5 | H20 | 180.0° | 179.5° |
| C6 | C7 | C2 | H21 | 180.0° | 179.5° |
| C7 | C6 | C5 | C8 | 179.5° | 179.7° |
| C7 | C6 | C5 | C4 | 1.1° | 0.2° |
| C6 | C7 | C2 | CL1 | 179.5° | 179.8° |
| C6 | C7 | C2 | C3 | 0.1° | 0.5° |
| C5 | C6 | C7 | C2 | 0.5° | 0.5° |
| C6 | C5 | C8 | C13 | 50.5° | 80.1° |
| C6 | C5 | C8 | C4 | 178.4° | 179.9° |
| C6 | C5 | C4 | C3 | 1.0° | 0.0° |
| C6 | C5 | C4 | H19 | 179.0° | 180.0° |
| C5 | C6 | C7 | H21 | 179.4° | 180.0° |
| C6 | C5 | C8 | H22 | 168.9° | 161.2° |
| C25 | C26 | C27 | C28 | 1.1° | 0.0° |
| C25 | C26 | C27 | H15 | 180.0° | 179.9° |
| C25 | C26 | C27 | H16 | 178.9° | 180.0° |
| C26 | C25 | C30 | H18 | 179.9° | 179.9° |
| C7 | C2 | CL1 | C3 | 179.4° | 179.7° |
| C7 | C2 | C3 | C4 | 0.2° | 0.2° |
| C7 | C2 | C3 | H1 | 179.8° | 179.7° |
| C2 | C7 | C6 | H20 | 179.4° | 180.0° |
| O18 | C16 | C15 | C14 | 179.9° | 180.0° |
| O18 | C16 | C15 | O21 | 0.1° | 0.1° |
| O18 | C16 | C17 | H8 | 0.2° | 0.1° |
| C16 | O18 | C19 | H9 | 180.0° | 180.0° |
| C16 | O18 | C19 | H10 | 60.0° | 60.0° |
| C16 | O18 | C19 | H11 | 60.0° | 60.0° |
| C16 | C15 | C14 | C13 | 0.2° | 0.0° |
| C16 | C15 | C14 | O21 | 179.8° | 179.9° |
| C16 | C15 | O21 | C22 | 171.2° | 177.0° |
| C16 | C15 | C14 | H7 | 179.8° | 179.9° |
| C15 | C16 | C17 | H8 | 179.8° | 180.0° |
| C33 | N32 | C28 | C34 | 178.9° | 180.0° |
| C33 | N32 | C28 | C27 | 174.9° | 0.0° |
| C33 | N32 | C34 | C40 | 88.2° | 90.0° |
| N32 | C33 | H26 | H27 | 120.0° | 120.0° |
| N32 | C33 | H26 | H28 | 120.0° | 120.0° |
| N32 | C33 | H27 | H28 | 120.0° | 119.9° |
| C33 | N32 | C34 | H29 | 151.1° | 30.0° |
| C33 | N32 | C34 | H30 | 32.6° | 150.0° |
| N32 | C28 | C27 | C26 | 179.3° | 180.0° |
| C28 | N32 | C34 | C40 | 93.0° | 90.0° |
| N32 | C28 | C27 | H16 | 0.7° | 0.0° |
| N32 | C28 | C29 | H17 | 1.2° | 0.0° |
| C28 | N32 | C33 | H26 | 180.0° | 90.0° |
| C28 | N32 | C33 | H27 | 60.0° | 150.0° |
| C28 | N32 | C33 | H28 | 60.0° | 30.0° |
| C28 | N32 | C34 | H29 | 27.8° | 150.0° |
| C28 | N32 | C34 | H30 | 146.3° | 30.0° |
| C28 | C27 | C26 | H16 | 180.0° | 180.0° |
| C27 | C28 | N32 | C34 | 4.0° | 180.0° |
| C28 | C27 | C26 | H15 | 178.9° | 179.9° |
| C27 | C28 | C29 | H17 | 179.4° | 180.0° |
| C13 | C8 | C5 | H22 | 118.4° | 118.8° |
| C13 | C8 | C5 | C4 | 131.0° | 100.0° |
| C8 | C13 | C14 | C15 | 179.9° | 179.9° |
| C8 | C13 | C14 | H7 | 0.1° | 0.1° |
| C14 | C13 | C8 | C5 | 79.7° | 80.8° |
| C13 | C14 | C15 | H7 | 180.0° | 180.0° |
| C13 | C14 | C15 | O21 | 179.6° | 179.9° |
| C14 | C13 | C8 | H22 | 38.3° | 37.9° |
| C37 | C36 | C40 | H31 | 180.0° | 180.0° |
| C37 | C36 | C40 | C34 | 180.0° | 179.9° |
| C8 | C5 | C4 | C3 | 179.4° | 180.0° |
| C8 | C5 | C4 | H19 | 0.6° | 0.1° |
| C8 | C5 | C6 | H20 | 0.5° | 0.2° |
| C36 | C40 | C34 | N32 | 177.3° | 89.9° |
| C36 | C40 | C34 | H29 | 56.6° | 150.0° |
| C36 | C40 | C34 | H30 | 61.9° | 30.1° |
| C40 | C36 | C37 | H32 | 179.4° | 180.0° |
| C36 | C40 | C39 | H34 | 180.0° | 180.0° |
| C40 | C34 | N32 | H29 | 120.8° | 120.0° |
| C40 | C34 | N32 | H30 | 120.7° | 120.0° |
| C40 | C34 | H29 | H30 | 117.7° | 119.9° |
| C34 | C40 | C36 | H31 | 0.0° | 0.1° |
| C34 | C40 | C39 | H34 | 0.5° | 0.1° |
| C5 | C4 | C3 | C2 | 0.3° | 0.0° |
| C5 | C4 | C3 | H19 | 180.0° | 180.0° |
| C5 | C4 | C3 | H1 | 179.7° | 180.0° |
| C4 | C5 | C6 | H20 | 178.9° | 179.7° |
| C4 | C5 | C8 | H22 | 12.7° | 18.8° |
| C34 | N32 | C33 | H26 | 1.1° | 90.0° |
| C34 | N32 | C33 | H27 | 121.1° | 30.0° |
| C34 | N32 | C33 | H28 | 118.9° | 150.0° |
| N32 | C34 | H29 | H30 | 117.7° | 120.0° |
| CL1 | C2 | C3 | C4 | 179.6° | 180.0° |
| CL1 | C2 | C3 | H1 | 0.4° | 0.0° |
| CL1 | C2 | C7 | H21 | 0.5° | 0.2° |
| C2 | C3 | C4 | H1 | 180.0° | 180.0° |
| C2 | C3 | C4 | H19 | 179.7° | 180.0° |
| C3 | C2 | C7 | H21 | 179.9° | 180.0° |
| C14 | C15 | O21 | C22 | 9.0° | 3.2° |
| C15 | O21 | C22 | C23 | 75.8° | 154.5° |
| C15 | O21 | C22 | C31 | 165.9° | 85.5° |
| O21 | C15 | C14 | H7 | 0.4° | 0.0° |
| C15 | O21 | C22 | H12 | 45.3° | 34.5° |
| O21 | C22 | C23 | C31 | 116.7° | 120.0° |
| O21 | C22 | C23 | H12 | 122.1° | 120.0° |
| O21 | C22 | C23 | C41 | 151.5° | 65.0° |
| O21 | C22 | C31 | H12 | 121.3° | 119.9° |
| O21 | C22 | C23 | H13 | 31.5° | 175.0° |
| O21 | C22 | C23 | H14 | 88.4° | 55.0° |
| O21 | C22 | C31 | H23 | 180.0° | 60.1° |
| O21 | C22 | C31 | H24 | 60.0° | 60.0° |
| O21 | C22 | C31 | H25 | 60.0° | 180.0° |
| C22 | C23 | C41 | H13 | 120.0° | 120.0° |
| C22 | C23 | C41 | H14 | 120.0° | 120.0° |
| C23 | C22 | C31 | H12 | 120.8° | 120.1° |
| C22 | C23 | C41 | H2 | 180.0° | 60.0° |
| C22 | C23 | C41 | H3 | 60.0° | 60.0° |
| C22 | C23 | C41 | H4 | 60.0° | 180.0° |
| C22 | C23 | H13 | H14 | 119.9° | 120.0° |
| C23 | C22 | C31 | H23 | 62.1° | 59.9° |
| C23 | C22 | C31 | H24 | 57.9° | 180.0° |
| C23 | C22 | C31 | H25 | 177.9° | 60.0° |
| C41 | C23 | C22 | C31 | 91.7° | 175.0° |
| C23 | C41 | H2 | H3 | 120.0° | 120.0° |
| C23 | C41 | H2 | H4 | 120.0° | 119.9° |
| C23 | C41 | H3 | H4 | 120.0° | 119.9° |
| C41 | C23 | C22 | H12 | 29.4° | 55.0° |
| C41 | C23 | H13 | H14 | 119.9° | 120.0° |
| C31 | C22 | C23 | H13 | 148.2° | 55.0° |
| C31 | C22 | C23 | H14 | 28.3° | 65.0° |
| C22 | C31 | H23 | H24 | 120.0° | 120.0° |
| C22 | C31 | H23 | H25 | 120.0° | 120.0° |
| C22 | C31 | H24 | H25 | 120.0° | 120.0° |
| H1 | C3 | C4 | H19 | 0.3° | 0.0° |
| H2 | C41 | H3 | H4 | 120.0° | 120.0° |
| H2 | C41 | C23 | H13 | 60.0° | 59.9° |
| H2 | C41 | C23 | H14 | 60.0° | 180.0° |
| H3 | C41 | C23 | H13 | 180.0° | NaN° |
| H3 | C41 | C23 | H14 | 60.0° | 60.0° |
| H4 | C41 | C23 | H13 | 60.0° | 60.1° |
| H4 | C41 | C23 | H14 | 180.0° | 60.0° |
| H9 | C19 | H10 | H11 | 120.0° | 120.0° |
| H12 | C22 | C23 | H13 | 90.6° | 65.0° |
| H12 | C22 | C23 | H14 | 149.4° | 175.0° |
| H12 | C22 | C31 | H23 | 58.7° | 180.0° |
| H12 | C22 | C31 | H24 | 178.7° | 59.9° |
| H12 | C22 | C31 | H25 | 61.3° | 60.1° |
| H15 | C26 | C27 | H16 | 1.1° | 0.0° |
| H17 | C29 | C30 | H18 | 0.0° | 0.1° |
| H20 | C6 | C7 | H21 | 0.6° | 0.5° |
| H23 | C31 | H24 | H25 | 120.0° | 120.0° |
| H26 | C33 | H27 | H28 | 120.0° | 120.0° |
| H31 | C36 | C37 | H32 | 0.6° | 0.0° |
| H33 | C38 | C39 | H34 | 0.3° | 0.1° |
