4UQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C43 | C40 | sing | 1.53Å | 1.54Å | |
| C41 | C40 | sing | 1.53Å | 1.54Å | |
| C40 | C42 | sing | 1.53Å | 1.54Å | |
| C40 | C37 | sing | 1.51Å | 1.54Å | |
| C37 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| O21 | C20 | sing | 1.43Å | 1.42Å | |
| O21 | C22 | sing | 1.43Å | 1.42Å | |
| C36 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C39 | C34 | doub | 1.40Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.53Å | 1.51Å | |
| C19 | N17 | sing | 1.47Å | 1.47Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C35 | C34 | sing | 1.40Å | 1.39Å | Aromatic |
| C34 | C32 | sing | 1.48Å | 1.50Å | |
| C23 | N17 | sing | 1.47Å | 1.47Å | |
| N17 | C16 | sing | 1.35Å | 1.35Å | |
| C32 | N31 | sing | 1.35Å | 1.33Å | |
| C32 | O33 | doub | 1.22Å | 1.23Å | |
| N31 | C27 | sing | 1.46Å | 1.46Å | |
| C16 | O18 | doub | 1.22Å | 1.22Å | |
| C16 | C13 | sing | 1.48Å | 1.50Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | N1 | sing | 1.47Å | 1.47Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C3 | sing | 1.38Å | 1.40Å | |
| C11 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | N9 | sing | 1.39Å | 1.42Å | |
| N2 | C3 | doub | 1.32Å | 1.34Å | Aromatic |
| N2 | C7 | sing | 1.32Å | 1.34Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
| N9 | C7 | sing | 1.38Å | 1.37Å | |
| C7 | C6 | doub | 1.41Å | 1.43Å | Aromatic |
| C4 | C5 | doub | 1.37Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | C8 | sing | 1.47Å | 1.50Å | |
| O25 | C8 | doub | 1.22Å | 1.23Å | |
| C8 | N24 | sing | 1.35Å | 1.33Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C19 | H2 | sing | 1.09Å | 1.10Å | |
| C19 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H13 | sing | 1.08Å | 1.08Å | |
| C5 | H14 | sing | 1.08Å | 1.08Å | |
| N9 | H15 | sing | 0.97Å | 1.00Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| N24 | H17 | sing | 0.97Å | 1.00Å | |
| N24 | H18 | sing | 0.97Å | 1.00Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| N31 | H27 | sing | 0.97Å | 1.00Å | |
| C35 | H28 | sing | 1.08Å | 1.08Å | |
| C36 | H29 | sing | 1.08Å | 1.08Å | |
| C38 | H30 | sing | 1.08Å | 1.08Å | |
| C39 | H31 | sing | 1.08Å | 1.08Å | |
| C41 | H32 | sing | 1.09Å | 1.10Å | |
| C41 | H33 | sing | 1.09Å | 1.10Å | |
| C41 | H34 | sing | 1.09Å | 1.10Å | |
| C42 | H35 | sing | 1.09Å | 1.10Å | |
| C42 | H36 | sing | 1.09Å | 1.10Å | |
| C42 | H37 | sing | 1.09Å | 1.10Å | |
| C43 | H38 | sing | 1.09Å | 1.10Å | |
| C43 | H39 | sing | 1.09Å | 1.10Å | |
| C43 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C43 | C40 | C41 | 107.7° | 109.5° |
| C43 | C40 | C42 | 108.1° | 109.5° |
| C43 | C40 | C37 | 110.4° | 109.4° |
| C40 | C43 | H38 | 109.5° | 109.5° |
| C40 | C43 | H39 | 109.4° | 109.5° |
| C40 | C43 | H40 | 109.5° | 109.5° |
| C41 | C40 | C42 | 107.4° | 109.5° |
| C41 | C40 | C37 | 111.7° | 109.5° |
| C40 | C41 | H32 | 109.5° | 109.5° |
| C40 | C41 | H33 | 109.5° | 109.5° |
| C40 | C41 | H34 | 109.5° | 109.5° |
| C42 | C40 | C37 | 111.3° | 109.5° |
| C40 | C42 | H35 | 109.5° | 109.5° |
| C40 | C42 | H36 | 109.5° | 109.5° |
| C40 | C42 | H37 | 109.5° | 109.5° |
| C40 | C37 | C38 | 121.4° | 119.9° |
| C40 | C37 | C36 | 120.9° | 119.9° |
| C38 | C37 | C36 | 117.8° | 120.3° |
| C37 | C38 | C39 | 121.3° | 120.2° |
| C37 | C38 | H30 | 119.4° | 119.9° |
| C37 | C36 | C35 | 121.3° | 120.2° |
| C37 | C36 | H29 | 119.4° | 119.9° |
| C38 | C39 | C34 | 120.7° | 119.8° |
| C39 | C38 | H30 | 119.3° | 119.9° |
| C38 | C39 | H31 | 119.6° | 120.1° |
| C20 | O21 | C22 | 109.4° | 114.2° |
| O21 | C20 | C19 | 111.4° | 109.2° |
| O21 | C20 | H4 | 109.0° | 109.5° |
| O21 | C20 | H5 | 109.0° | 109.5° |
| O21 | C22 | C23 | 111.3° | 109.3° |
| O21 | C22 | H6 | 109.0° | 109.5° |
| O21 | C22 | H7 | 109.0° | 109.5° |
| C36 | C35 | C34 | 120.7° | 119.9° |
| C36 | C35 | H28 | 119.7° | 120.1° |
| C35 | C36 | H29 | 119.3° | 119.9° |
| C39 | C34 | C35 | 118.3° | 119.7° |
| C39 | C34 | C32 | 120.2° | 120.1° |
| C34 | C39 | H31 | 119.7° | 120.1° |
| C20 | C19 | N17 | 110.6° | 108.4° |
| C20 | C19 | H2 | 109.2° | 109.7° |
| C20 | C19 | H3 | 109.2° | 109.7° |
| C19 | C20 | H4 | 109.0° | 109.5° |
| C19 | C20 | H5 | 109.0° | 109.5° |
| C19 | N17 | C23 | 114.6° | 118.0° |
| C19 | N17 | C16 | 119.9° | 121.0° |
| N17 | C19 | H2 | 109.2° | 109.7° |
| N17 | C19 | H3 | 109.2° | 109.7° |
| C22 | C23 | N17 | 110.5° | 108.4° |
| C23 | C22 | H6 | 109.0° | 109.5° |
| C23 | C22 | H7 | 109.0° | 109.5° |
| C22 | C23 | H8 | 109.2° | 109.6° |
| C22 | C23 | H9 | 109.2° | 109.7° |
| C35 | C34 | C32 | 121.5° | 120.1° |
| C34 | C35 | H28 | 119.7° | 120.1° |
| C34 | C32 | N31 | 116.5° | 120.0° |
| C34 | C32 | O33 | 121.4° | 120.0° |
| C23 | N17 | C16 | 125.3° | 121.0° |
| N17 | C23 | H8 | 109.2° | 109.7° |
| N17 | C23 | H9 | 109.2° | 109.7° |
| N17 | C16 | O18 | 121.7° | 120.0° |
| N17 | C16 | C13 | 119.4° | 120.0° |
| N31 | C32 | O33 | 122.1° | 120.1° |
| C32 | N31 | C27 | 122.9° | 120.0° |
| C32 | N31 | H27 | 118.6° | 120.0° |
| N31 | C27 | C28 | 110.1° | 109.6° |
| N31 | C27 | C26 | 113.0° | 109.5° |
| N31 | C27 | H12 | 108.3° | 109.6° |
| C27 | N31 | H27 | 118.6° | 120.0° |
| O18 | C16 | C13 | 118.7° | 120.0° |
| C16 | C13 | C14 | 121.8° | 120.1° |
| C16 | C13 | C12 | 119.5° | 120.1° |
| C27 | C28 | C29 | 111.2° | 109.1° |
| C28 | C27 | C26 | 110.2° | 109.3° |
| C28 | C27 | H12 | 107.5° | 109.5° |
| C27 | C28 | H21 | 109.1° | 109.5° |
| C27 | C28 | H22 | 109.0° | 109.6° |
| C28 | C29 | C30 | 110.7° | 109.3° |
| C29 | C28 | H21 | 109.1° | 109.5° |
| C29 | C28 | H22 | 109.0° | 109.5° |
| C28 | C29 | H23 | 109.2° | 109.6° |
| C28 | C29 | H24 | 109.2° | 109.5° |
| C27 | C26 | N1 | 110.5° | 109.5° |
| C26 | C27 | H12 | 107.5° | 109.5° |
| C27 | C26 | H19 | 109.2° | 109.4° |
| C27 | C26 | H20 | 109.2° | 109.4° |
| C14 | C13 | C12 | 118.5° | 119.9° |
| C13 | C14 | C15 | 120.8° | 119.9° |
| C13 | C14 | H16 | 119.6° | 120.1° |
| C13 | C12 | C11 | 120.9° | 119.9° |
| C13 | C12 | H11 | 119.6° | 120.0° |
| C14 | C15 | C10 | 120.4° | 120.1° |
| C14 | C15 | H1 | 119.8° | 119.9° |
| C15 | C14 | H16 | 119.6° | 120.0° |
| C26 | N1 | C30 | 110.6° | 111.2° |
| C26 | N1 | C3 | 120.4° | 111.0° |
| N1 | C26 | H19 | 109.2° | 109.5° |
| N1 | C26 | H20 | 109.2° | 109.5° |
| C29 | C30 | N1 | 111.5° | 109.5° |
| C30 | C29 | H23 | 109.2° | 109.5° |
| C30 | C29 | H24 | 109.1° | 109.5° |
| C29 | C30 | H25 | 109.0° | 109.5° |
| C29 | C30 | H26 | 109.0° | 109.5° |
| C12 | C11 | C10 | 120.4° | 120.1° |
| C12 | C11 | H10 | 119.8° | 120.0° |
| C11 | C12 | H11 | 119.6° | 120.0° |
| C15 | C10 | C11 | 119.0° | 120.1° |
| C15 | C10 | N9 | 122.9° | 119.9° |
| C10 | C15 | H1 | 119.8° | 120.0° |
| C30 | N1 | C3 | 121.8° | 111.0° |
| N1 | C30 | H25 | 109.0° | 109.4° |
| N1 | C30 | H26 | 109.0° | 109.5° |
| N1 | C3 | N2 | 116.3° | 119.5° |
| N1 | C3 | C4 | 121.9° | 119.4° |
| C11 | C10 | N9 | 118.1° | 119.9° |
| C10 | C11 | H10 | 119.8° | 120.0° |
| C10 | N9 | C7 | 132.9° | 120.0° |
| C10 | N9 | H15 | 113.6° | 120.0° |
| C3 | N2 | C7 | 121.0° | 121.6° |
| N2 | C3 | C4 | 121.9° | 121.1° |
| N2 | C7 | N9 | 118.7° | 119.8° |
| N2 | C7 | C6 | 120.8° | 120.3° |
| C3 | C4 | C5 | 117.8° | 119.6° |
| C3 | C4 | H13 | 121.1° | 120.3° |
| N9 | C7 | C6 | 120.5° | 119.9° |
| C7 | N9 | H15 | 113.6° | 120.0° |
| C7 | C6 | C5 | 117.6° | 119.0° |
| C7 | C6 | C8 | 123.7° | 120.5° |
| C4 | C5 | C6 | 120.9° | 118.6° |
| C5 | C4 | H13 | 121.1° | 120.2° |
| C4 | C5 | H14 | 119.6° | 120.7° |
| C5 | C6 | C8 | 118.7° | 120.5° |
| C6 | C5 | H14 | 119.6° | 120.7° |
| C6 | C8 | O25 | 119.9° | 120.0° |
| C6 | C8 | N24 | 118.2° | 120.0° |
| O25 | C8 | N24 | 121.9° | 120.0° |
| C8 | N24 | H17 | 120.0° | 120.0° |
| C8 | N24 | H18 | 120.0° | 120.0° |
| H2 | C19 | H3 | 109.5° | 109.8° |
| H4 | C20 | H5 | 109.4° | 109.5° |
| H6 | C22 | H7 | 109.5° | 109.4° |
| H8 | C23 | H9 | 109.5° | 109.7° |
| H17 | N24 | H18 | 120.1° | 120.0° |
| H19 | C26 | H20 | 109.5° | 109.5° |
| H21 | C28 | H22 | 109.5° | 109.6° |
| H23 | C29 | H24 | 109.5° | 109.5° |
| H25 | C30 | H26 | 109.5° | 109.4° |
| H32 | C41 | H33 | 109.5° | 109.5° |
| H32 | C41 | H34 | 109.5° | 109.4° |
| H33 | C41 | H34 | 109.5° | 109.5° |
| H35 | C42 | H36 | 109.4° | 109.5° |
| H35 | C42 | H37 | 109.5° | 109.4° |
| H36 | C42 | H37 | 109.5° | 109.5° |
| H38 | C43 | H39 | 109.5° | 109.5° |
| H38 | C43 | H40 | 109.5° | 109.4° |
| H39 | C43 | H40 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C43 | C40 | C41 | C42 | 116.3° | 120.0° |
| C43 | C40 | C41 | C37 | 121.4° | 120.0° |
| C43 | C40 | C42 | C37 | 121.4° | 120.0° |
| C43 | C40 | C37 | C38 | 92.3° | 180.0° |
| C43 | C40 | C37 | C36 | 86.3° | 0.3° |
| C43 | C40 | C41 | H32 | 180.0° | 60.0° |
| C43 | C40 | C41 | H33 | 60.0° | 60.0° |
| C43 | C40 | C41 | H34 | 60.0° | 180.0° |
| C43 | C40 | C42 | H35 | 180.0° | 60.0° |
| C43 | C40 | C42 | H36 | 60.0° | 60.0° |
| C43 | C40 | C42 | H37 | 60.0° | 180.0° |
| C40 | C43 | H38 | H39 | 120.0° | 120.1° |
| C40 | C43 | H38 | H40 | 120.0° | 120.0° |
| C40 | C43 | H39 | H40 | 120.0° | 120.0° |
| C41 | C40 | C42 | C37 | 122.6° | 120.0° |
| C41 | C40 | C37 | C38 | 27.6° | 60.0° |
| C41 | C40 | C37 | C36 | 153.8° | 120.3° |
| C40 | C41 | H32 | H33 | 120.0° | 120.1° |
| C40 | C41 | H32 | H34 | 120.0° | 120.0° |
| C40 | C41 | H33 | H34 | 120.0° | 120.1° |
| C41 | C40 | C42 | H35 | 64.0° | 180.0° |
| C41 | C40 | C42 | H36 | 56.0° | 60.0° |
| C41 | C40 | C42 | H37 | 176.0° | 60.0° |
| C41 | C40 | C43 | H38 | 180.0° | 180.0° |
| C41 | C40 | C43 | H39 | 60.0° | 60.0° |
| C41 | C40 | C43 | H40 | 60.0° | 60.0° |
| C42 | C40 | C37 | C38 | 147.7° | 60.0° |
| C42 | C40 | C37 | C36 | 33.8° | 119.7° |
| C42 | C40 | C41 | H32 | 63.7° | 60.0° |
| C42 | C40 | C41 | H33 | 176.3° | 180.0° |
| C42 | C40 | C41 | H34 | 56.3° | 60.0° |
| C40 | C42 | H35 | H36 | 120.0° | 120.0° |
| C40 | C42 | H35 | H37 | 120.0° | 120.0° |
| C40 | C42 | H36 | H37 | 120.0° | 120.0° |
| C42 | C40 | C43 | H38 | 64.2° | 60.0° |
| C42 | C40 | C43 | H39 | 55.8° | 180.0° |
| C42 | C40 | C43 | H40 | 175.8° | 60.0° |
| C40 | C37 | C38 | C36 | 178.6° | 179.7° |
| C40 | C37 | C38 | C39 | 179.3° | 180.0° |
| C40 | C37 | C36 | C35 | 179.1° | 179.7° |
| C40 | C37 | C36 | H29 | 0.9° | 0.3° |
| C40 | C37 | C38 | H30 | 0.7° | 0.3° |
| C37 | C40 | C41 | H32 | 58.6° | 180.0° |
| C37 | C40 | C41 | H33 | 61.4° | 60.0° |
| C37 | C40 | C41 | H34 | 178.5° | 60.0° |
| C37 | C40 | C42 | H35 | 58.6° | 60.0° |
| C37 | C40 | C42 | H36 | 178.6° | 180.0° |
| C37 | C40 | C42 | H37 | 61.4° | 60.0° |
| C37 | C40 | C43 | H38 | 57.7° | 60.0° |
| C37 | C40 | C43 | H39 | 177.7° | 60.0° |
| C37 | C40 | C43 | H40 | 62.3° | 180.0° |
| C37 | C38 | C39 | H30 | 180.0° | 179.7° |
| C38 | C37 | C36 | C35 | 0.5° | 0.1° |
| C37 | C38 | C39 | C34 | 0.0° | 0.6° |
| C38 | C37 | C36 | H29 | 179.5° | 180.0° |
| C37 | C38 | C39 | H31 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 0.7° | 0.3° |
| C37 | C36 | C35 | H29 | 180.0° | 180.0° |
| C37 | C36 | C35 | C34 | 0.5° | 0.1° |
| C37 | C36 | C35 | H28 | 179.4° | 180.0° |
| C36 | C37 | C38 | H30 | 179.3° | 180.0° |
| C38 | C39 | C34 | H31 | 180.0° | 179.4° |
| C38 | C39 | C34 | C35 | 1.0° | 0.6° |
| C38 | C39 | C34 | C32 | 176.7° | 179.7° |
| O21 | C20 | C19 | H4 | 120.3° | 120.0° |
| O21 | C20 | C19 | H5 | 120.3° | 120.0° |
| O21 | C20 | C19 | N17 | 53.9° | 52.3° |
| C20 | O21 | C22 | C23 | 63.1° | 62.6° |
| O21 | C20 | C19 | H2 | 174.0° | 172.0° |
| O21 | C20 | C19 | H3 | 66.3° | 67.4° |
| O21 | C20 | H4 | H5 | 119.1° | 120.1° |
| C20 | O21 | C22 | H6 | 176.7° | 57.4° |
| C20 | O21 | C22 | H7 | 57.2° | 177.4° |
| C22 | O21 | C20 | C19 | 62.7° | 62.5° |
| O21 | C22 | C23 | H6 | 120.3° | 120.0° |
| O21 | C22 | C23 | H7 | 120.3° | 120.0° |
| O21 | C22 | C23 | N17 | 54.6° | 52.3° |
| C22 | O21 | C20 | H4 | 57.6° | 177.5° |
| C22 | O21 | C20 | H5 | 176.9° | 57.4° |
| O21 | C22 | H6 | H7 | 119.2° | 120.1° |
| O21 | C22 | C23 | H8 | 65.6° | 67.4° |
| O21 | C22 | C23 | H9 | 174.7° | 172.0° |
| C36 | C35 | C34 | C39 | 1.3° | 0.3° |
| C36 | C35 | C34 | H28 | 180.0° | 180.0° |
| C36 | C35 | C34 | C32 | 176.4° | 180.0° |
| C39 | C34 | C35 | C32 | 177.7° | 179.7° |
| C39 | C34 | C32 | N31 | 129.0° | 0.3° |
| C39 | C34 | C32 | O33 | 51.7° | 179.7° |
| C39 | C34 | C35 | H28 | 178.7° | 179.7° |
| C34 | C39 | C38 | H30 | 180.0° | 179.7° |
| C20 | C19 | N17 | H2 | 120.2° | 119.7° |
| C20 | C19 | N17 | H3 | 120.2° | 119.7° |
| C20 | C19 | N17 | C23 | 46.6° | 50.5° |
| C20 | C19 | N17 | C16 | 138.0° | 129.5° |
| C20 | C19 | H2 | H3 | 119.5° | 120.6° |
| C19 | C20 | H4 | H5 | 119.2° | 120.1° |
| C19 | N17 | C23 | C22 | 46.9° | 50.5° |
| C19 | N17 | C23 | C16 | 175.1° | 180.0° |
| C19 | N17 | C16 | O18 | 3.4° | 179.1° |
| C19 | N17 | C16 | C13 | 172.4° | 0.8° |
| N17 | C19 | H2 | H3 | 119.5° | 120.5° |
| N17 | C19 | C20 | H4 | 66.4° | 172.3° |
| N17 | C19 | C20 | H5 | 174.2° | 67.7° |
| C19 | N17 | C23 | H8 | 73.2° | 69.1° |
| C19 | N17 | C23 | H9 | 167.1° | 170.3° |
| C22 | C23 | N17 | H8 | 120.1° | 119.7° |
| C22 | C23 | N17 | H9 | 120.1° | 119.8° |
| C22 | C23 | N17 | C16 | 138.0° | 129.5° |
| C23 | C22 | H6 | H7 | 119.2° | 120.1° |
| C22 | C23 | H8 | H9 | 119.5° | 120.6° |
| C35 | C34 | C32 | N31 | 53.4° | 180.0° |
| C35 | C34 | C32 | O33 | 125.9° | 0.0° |
| C34 | C35 | C36 | H29 | 179.5° | 180.0° |
| C35 | C34 | C39 | H31 | 179.0° | 180.0° |
| C34 | C32 | N31 | O33 | 179.3° | 180.0° |
| C34 | C32 | N31 | C27 | 176.0° | 180.0° |
| C34 | C32 | N31 | H27 | 4.0° | 0.0° |
| C32 | C34 | C35 | H28 | 3.6° | 0.0° |
| C32 | C34 | C39 | H31 | 3.3° | 0.3° |
| C23 | N17 | C16 | O18 | 178.3° | 0.9° |
| C23 | N17 | C16 | C13 | 2.5° | 179.2° |
| C23 | N17 | C19 | H2 | 166.7° | 170.2° |
| C23 | N17 | C19 | H3 | 73.6° | 69.2° |
| N17 | C23 | C22 | H6 | 174.8° | 67.7° |
| N17 | C23 | C22 | H7 | 65.7° | 172.3° |
| N17 | C23 | H8 | H9 | 119.5° | 120.6° |
| N17 | C16 | O18 | C13 | 175.8° | 180.0° |
| N17 | C16 | C13 | C14 | 77.0° | 134.8° |
| N17 | C16 | C13 | C12 | 108.4° | 45.4° |
| C16 | N17 | C19 | H2 | 17.8° | 9.8° |
| C16 | N17 | C19 | H3 | 101.8° | 110.8° |
| C16 | N17 | C23 | H8 | 101.9° | 110.9° |
| C16 | N17 | C23 | H9 | 17.8° | 9.7° |
| C32 | N31 | C27 | H27 | 180.0° | 180.0° |
| C32 | N31 | C27 | C28 | 120.3° | 85.2° |
| C32 | N31 | C27 | C26 | 116.1° | 155.0° |
| C32 | N31 | C27 | H12 | 2.9° | 35.0° |
| O33 | C32 | N31 | C27 | 3.3° | 0.0° |
| O33 | C32 | N31 | H27 | 176.7° | 180.0° |
| N31 | C27 | C28 | C26 | 125.3° | 120.0° |
| N31 | C27 | C28 | H12 | 117.9° | 120.2° |
| N31 | C27 | C28 | C29 | 178.6° | 62.3° |
| N31 | C27 | C26 | H12 | 119.5° | 120.1° |
| N31 | C27 | C26 | N1 | 178.2° | 60.8° |
| N31 | C27 | C26 | H19 | 58.0° | 179.2° |
| N31 | C27 | C26 | H20 | 61.7° | 59.2° |
| N31 | C27 | C28 | H21 | 58.3° | 57.6° |
| N31 | C27 | C28 | H22 | 61.1° | 177.8° |
| O18 | C16 | C13 | C14 | 98.9° | 45.2° |
| O18 | C16 | C13 | C12 | 75.7° | 134.6° |
| C16 | C13 | C14 | C12 | 174.7° | 179.8° |
| C16 | C13 | C14 | C15 | 174.5° | 179.8° |
| C16 | C13 | C12 | C11 | 174.3° | 179.8° |
| C16 | C13 | C12 | H11 | 5.7° | 0.3° |
| C16 | C13 | C14 | H16 | 5.4° | 0.2° |
| C27 | C28 | C29 | H21 | 120.3° | 119.8° |
| C27 | C28 | C29 | H22 | 120.2° | 120.0° |
| C28 | C27 | C26 | H12 | 116.9° | 119.9° |
| C28 | C27 | C26 | N1 | 58.2° | 59.2° |
| C27 | C28 | C29 | C30 | 51.5° | 57.7° |
| C28 | C27 | C26 | H19 | 178.3° | 60.8° |
| C28 | C27 | C26 | H20 | 61.9° | 179.2° |
| C27 | C28 | H21 | H22 | 119.2° | 120.2° |
| C27 | C28 | C29 | H23 | 171.7° | 62.3° |
| C27 | C28 | C29 | H24 | 68.7° | 177.6° |
| C28 | C27 | N31 | H27 | 59.7° | 94.8° |
| C29 | C28 | C27 | C26 | 53.4° | 57.7° |
| C28 | C29 | C30 | H23 | 120.2° | 120.0° |
| C28 | C29 | C30 | H24 | 120.2° | 119.9° |
| C28 | C29 | C30 | N1 | 54.6° | 59.2° |
| C29 | C28 | C27 | H12 | 63.5° | 177.6° |
| C29 | C28 | H21 | H22 | 119.2° | 120.2° |
| C28 | C29 | H23 | H24 | 119.4° | 120.1° |
| C28 | C29 | C30 | H25 | 65.7° | 60.8° |
| C28 | C29 | C30 | H26 | 174.9° | 179.2° |
| C27 | C26 | N1 | H19 | 120.2° | 120.0° |
| C27 | C26 | N1 | H20 | 120.1° | 120.0° |
| C27 | C26 | N1 | C30 | 61.5° | 61.7° |
| C27 | C26 | N1 | C3 | 89.4° | 174.2° |
| C27 | C26 | H19 | H20 | 119.5° | 119.9° |
| C26 | C27 | C28 | H21 | 66.9° | 177.6° |
| C26 | C27 | C28 | H22 | 173.6° | 62.2° |
| C26 | C27 | N31 | H27 | 63.9° | 25.0° |
| C13 | C14 | C15 | H16 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.5° | 0.0° |
| C13 | C14 | C15 | C10 | 0.1° | 0.0° |
| C13 | C14 | C15 | H1 | 179.9° | 180.0° |
| C14 | C13 | C12 | H11 | 179.5° | 179.9° |
| C12 | C13 | C14 | C15 | 0.1° | 0.0° |
| C13 | C12 | C11 | H11 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 0.7° | 0.0° |
| C13 | C12 | C11 | H10 | 179.3° | 180.0° |
| C12 | C13 | C14 | H16 | 179.9° | 180.0° |
| C14 | C15 | C10 | H1 | 180.0° | 180.0° |
| C14 | C15 | C10 | C11 | 0.1° | 0.0° |
| C14 | C15 | C10 | N9 | 179.6° | 180.0° |
| C26 | N1 | C30 | C29 | 59.8° | 61.7° |
| C26 | N1 | C30 | C3 | 150.4° | 124.1° |
| C26 | N1 | C3 | N2 | 3.2° | 0.0° |
| C26 | N1 | C3 | C4 | 177.5° | 179.9° |
| N1 | C26 | C27 | H12 | 58.7° | 179.1° |
| N1 | C26 | H19 | H20 | 119.5° | 120.0° |
| C26 | N1 | C30 | H25 | 60.5° | 58.3° |
| C26 | N1 | C30 | H26 | 179.9° | 178.2° |
| C29 | C30 | N1 | H25 | 120.3° | 120.0° |
| C29 | C30 | N1 | H26 | 120.3° | 120.0° |
| C29 | C30 | N1 | C3 | 90.6° | 174.1° |
| C30 | C29 | C28 | H21 | 68.8° | 177.5° |
| C30 | C29 | C28 | H22 | 171.8° | 62.3° |
| C30 | C29 | H23 | H24 | 119.4° | 120.1° |
| C29 | C30 | H25 | H26 | 119.1° | 120.0° |
| C12 | C11 | C10 | C15 | 0.4° | 0.0° |
| C12 | C11 | C10 | H10 | 180.0° | 180.0° |
| C12 | C11 | C10 | N9 | 179.2° | 180.0° |
| C15 | C10 | C11 | N9 | 179.7° | 180.0° |
| C15 | C10 | N9 | C7 | 2.9° | 145.0° |
| C15 | C10 | C11 | H10 | 179.6° | 180.0° |
| C15 | C10 | N9 | H15 | 177.2° | 34.9° |
| C10 | C15 | C14 | H16 | 179.9° | 180.0° |
| C30 | N1 | C3 | N2 | 150.8° | 124.3° |
| C30 | N1 | C3 | C4 | 30.0° | 55.8° |
| C30 | N1 | C26 | H19 | 178.3° | 58.3° |
| C30 | N1 | C26 | H20 | 58.6° | 178.3° |
| N1 | C30 | C29 | H23 | 174.8° | 60.8° |
| N1 | C30 | C29 | H24 | 65.6° | 179.1° |
| N1 | C30 | H25 | H26 | 119.1° | 120.0° |
| N1 | C3 | N2 | C4 | 179.2° | 179.9° |
| N1 | C3 | N2 | C7 | 177.6° | 180.0° |
| N1 | C3 | C4 | C5 | 177.4° | 180.0° |
| N1 | C3 | C4 | H13 | 2.6° | 0.0° |
| C3 | N1 | C26 | H19 | 30.8° | 65.9° |
| C3 | N1 | C26 | H20 | 150.5° | 54.2° |
| C3 | N1 | C30 | H25 | 149.1° | 65.8° |
| C3 | N1 | C30 | H26 | 29.7° | 54.1° |
| C11 | C10 | N9 | C7 | 177.5° | 35.0° |
| C11 | C10 | C15 | H1 | 179.9° | 180.0° |
| C10 | C11 | C12 | H11 | 179.3° | 179.9° |
| C11 | C10 | N9 | H15 | 2.5° | 145.0° |
| C10 | N9 | C7 | N2 | 2.0° | 6.6° |
| C10 | N9 | C7 | H15 | 180.0° | 180.0° |
| C10 | N9 | C7 | C6 | 177.7° | 173.4° |
| N9 | C10 | C15 | H1 | 0.4° | 0.0° |
| N9 | C10 | C11 | H10 | 0.8° | 0.0° |
| C3 | N2 | C7 | N9 | 180.0° | 179.9° |
| C3 | N2 | C7 | C6 | 0.3° | 0.1° |
| N2 | C3 | C4 | C5 | 1.7° | 0.1° |
| N2 | C3 | C4 | H13 | 178.3° | 179.9° |
| C7 | N2 | C3 | C4 | 1.6° | 0.1° |
| N2 | C7 | N9 | C6 | 179.7° | 180.0° |
| N2 | C7 | C6 | C5 | 1.8° | 0.0° |
| N2 | C7 | C6 | C8 | 174.9° | 179.9° |
| N2 | C7 | N9 | H15 | 178.1° | 173.4° |
| C3 | C4 | C5 | H13 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C3 | C4 | C5 | H14 | 179.9° | 180.0° |
| N9 | C7 | C6 | C5 | 178.5° | 180.0° |
| N9 | C7 | C6 | C8 | 4.8° | 0.0° |
| C7 | C6 | C5 | C4 | 1.6° | 0.0° |
| C7 | C6 | C5 | C8 | 176.8° | 180.0° |
| C7 | C6 | C8 | O25 | 18.0° | 5.5° |
| C7 | C6 | C8 | N24 | 163.0° | 174.4° |
| C7 | C6 | C5 | H14 | 178.4° | 179.9° |
| C6 | C7 | N9 | H15 | 2.2° | 6.6° |
| C4 | C5 | C6 | H14 | 180.0° | 179.9° |
| C4 | C5 | C6 | C8 | 175.3° | 180.0° |
| C5 | C6 | C8 | O25 | 158.6° | 174.5° |
| C5 | C6 | C8 | N24 | 20.3° | 5.6° |
| C6 | C5 | C4 | H13 | 179.9° | 179.9° |
| C6 | C8 | O25 | N24 | 178.9° | 179.9° |
| C8 | C6 | C5 | H14 | 4.7° | 0.0° |
| C6 | C8 | N24 | H17 | 178.9° | 0.0° |
| C6 | C8 | N24 | H18 | 1.1° | 180.0° |
| O25 | C8 | N24 | H17 | 0.0° | 179.9° |
| O25 | C8 | N24 | H18 | 180.0° | 0.1° |
| C8 | N24 | H17 | H18 | 180.0° | 180.0° |
| H1 | C15 | C14 | H16 | 0.1° | 0.0° |
| H2 | C19 | C20 | H4 | 53.8° | 68.1° |
| H2 | C19 | C20 | H5 | 65.6° | 52.0° |
| H3 | C19 | C20 | H4 | 173.4° | 52.6° |
| H3 | C19 | C20 | H5 | 54.0° | 172.6° |
| H6 | C22 | C23 | H8 | 54.7° | 172.6° |
| H6 | C22 | C23 | H9 | 65.0° | 52.1° |
| H7 | C22 | C23 | H8 | 174.1° | 52.6° |
| H7 | C22 | C23 | H9 | 54.4° | 67.9° |
| H10 | C11 | C12 | H11 | 0.7° | 0.0° |
| H12 | C27 | C26 | H19 | 61.4° | 59.1° |
| H12 | C27 | C26 | H20 | 178.9° | 60.9° |
| H12 | C27 | C28 | H21 | 176.2° | 62.6° |
| H12 | C27 | C28 | H22 | 56.7° | 57.7° |
| H12 | C27 | N31 | H27 | 177.1° | 145.1° |
| H13 | C4 | C5 | H14 | 0.1° | 0.0° |
| H21 | C28 | C29 | H23 | 51.4° | 57.6° |
| H21 | C28 | C29 | H24 | 171.1° | 62.6° |
| H22 | C28 | C29 | H23 | 68.1° | 177.8° |
| H22 | C28 | C29 | H24 | 51.6° | 57.7° |
| H23 | C29 | C30 | H25 | 54.5° | 179.2° |
| H23 | C29 | C30 | H26 | 65.0° | 59.3° |
| H24 | C29 | C30 | H25 | 174.1° | 59.1° |
| H24 | C29 | C30 | H26 | 54.7° | 60.9° |
| H28 | C35 | C36 | H29 | 0.6° | 0.0° |
| H30 | C38 | C39 | H31 | 0.0° | 0.3° |
| H32 | C41 | H33 | H34 | 120.0° | 119.9° |
| H35 | C42 | H36 | H37 | 120.0° | 119.9° |
| H38 | C43 | H39 | H40 | 120.0° | 119.9° |
