96Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F44 | C35 | sing | 1.40Å | 1.40Å | |
| C35 | F43 | sing | 1.40Å | 1.40Å | |
| C35 | C34 | sing | 1.53Å | 1.54Å | |
| C35 | C36 | sing | 1.53Å | 1.54Å | |
| C34 | C33 | sing | 1.53Å | 1.54Å | |
| C36 | C37 | sing | 1.53Å | 1.54Å | |
| C33 | N31 | sing | 1.47Å | 1.48Å | |
| C37 | N31 | sing | 1.47Å | 1.48Å | |
| C39 | C38 | doub | 1.38Å | 1.38Å | Aromatic |
| C39 | C40 | sing | 1.39Å | 1.39Å | Aromatic |
| F45 | C40 | sing | 1.35Å | 1.35Å | |
| N31 | C29 | sing | 1.35Å | 1.37Å | |
| C38 | C22 | sing | 1.39Å | 1.41Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C26 | sing | 1.40Å | 1.40Å | Aromatic |
| C40 | C41 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C23 | sing | 1.40Å | 1.41Å | Aromatic |
| C29 | O30 | doub | 1.22Å | 1.21Å | |
| C29 | C26 | sing | 1.48Å | 1.48Å | |
| C26 | C25 | doub | 1.40Å | 1.41Å | Aromatic |
| C22 | C21 | sing | 1.48Å | 1.49Å | |
| C22 | C42 | doub | 1.39Å | 1.41Å | Aromatic |
| C41 | C42 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| C23 | C19 | sing | 1.48Å | 1.49Å | |
| C23 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.41Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | O13 | sing | 1.35Å | 1.34Å | Aromatic |
| C17 | C16 | doub | 1.40Å | 1.41Å | Aromatic |
| C18 | C16 | sing | 1.39Å | 1.41Å | Aromatic |
| O13 | C14 | sing | 1.34Å | 1.34Å | Aromatic |
| C16 | C15 | sing | 1.47Å | 1.47Å | Aromatic |
| C14 | C15 | doub | 1.34Å | 1.35Å | Aromatic |
| C14 | C12 | sing | 1.51Å | 1.51Å | |
| C12 | N5 | sing | 1.47Å | 1.46Å | |
| N5 | C1 | sing | 1.35Å | 1.36Å | |
| O4 | C1 | doub | 1.22Å | 1.22Å | |
| C1 | C2 | sing | 1.46Å | 1.46Å | |
| C2 | C3 | doub | 1.35Å | 1.36Å | |
| C3 | C7 | sing | 1.47Å | 1.48Å | |
| C7 | C8 | doub | 1.41Å | 1.42Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.37Å | 1.37Å | Aromatic |
| C6 | N11 | doub | 1.32Å | 1.32Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| N11 | C10 | sing | 1.33Å | 1.33Å | Aromatic |
| C10 | N32 | sing | 1.39Å | 1.38Å | |
| C36 | H1 | sing | 1.09Å | 1.10Å | |
| C36 | H2 | sing | 1.09Å | 1.10Å | |
| C18 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C3 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å | |
| N5 | H12 | sing | 0.97Å | 1.00Å | |
| C20 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.08Å | 1.08Å | |
| C27 | H16 | sing | 1.08Å | 1.08Å | |
| C28 | H17 | sing | 1.08Å | 1.08Å | |
| N32 | H18 | sing | 0.97Å | 1.00Å | |
| N32 | H19 | sing | 0.97Å | 1.00Å | |
| C33 | H20 | sing | 1.09Å | 1.10Å | |
| C33 | H21 | sing | 1.09Å | 1.10Å | |
| C34 | H22 | sing | 1.09Å | 1.10Å | |
| C34 | H23 | sing | 1.09Å | 1.10Å | |
| C37 | H24 | sing | 1.09Å | 1.10Å | |
| C37 | H25 | sing | 1.09Å | 1.10Å | |
| C38 | H26 | sing | 1.08Å | 1.08Å | |
| C39 | H27 | sing | 1.08Å | 1.08Å | |
| C41 | H28 | sing | 1.08Å | 1.08Å | |
| C42 | H29 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F44 | C35 | F43 | 108.5° | 109.4° |
| F44 | C35 | C34 | 109.4° | 109.5° |
| F44 | C35 | C36 | 109.2° | 109.5° |
| F43 | C35 | C34 | 109.9° | 109.5° |
| F43 | C35 | C36 | 109.8° | 109.4° |
| C34 | C35 | C36 | 110.0° | 109.6° |
| C35 | C34 | C33 | 110.3° | 109.3° |
| C35 | C34 | H22 | 109.3° | 109.5° |
| C35 | C34 | H23 | 109.3° | 109.5° |
| C35 | C36 | C37 | 111.1° | 109.3° |
| C35 | C36 | H1 | 109.1° | 109.6° |
| C35 | C36 | H2 | 109.0° | 109.5° |
| C34 | C33 | N31 | 108.6° | 108.7° |
| C34 | C33 | H20 | 109.7° | 109.6° |
| C34 | C33 | H21 | 109.7° | 109.7° |
| C33 | C34 | H22 | 109.3° | 109.5° |
| C33 | C34 | H23 | 109.3° | 109.5° |
| C36 | C37 | N31 | 109.1° | 108.8° |
| C37 | C36 | H1 | 109.1° | 109.5° |
| C37 | C36 | H2 | 109.1° | 109.5° |
| C36 | C37 | H24 | 109.5° | 109.6° |
| C36 | C37 | H25 | 109.5° | 109.6° |
| C33 | N31 | C37 | 113.5° | 118.8° |
| C33 | N31 | C29 | 124.4° | 120.6° |
| N31 | C33 | H20 | 109.7° | 109.6° |
| N31 | C33 | H21 | 109.7° | 109.6° |
| C37 | N31 | C29 | 122.1° | 120.6° |
| N31 | C37 | H24 | 109.6° | 109.6° |
| N31 | C37 | H25 | 109.6° | 109.6° |
| C38 | C39 | C40 | 120.0° | 120.1° |
| C39 | C38 | C22 | 120.2° | 119.9° |
| C39 | C38 | H26 | 119.9° | 120.0° |
| C38 | C39 | H27 | 120.0° | 120.0° |
| C39 | C40 | F45 | 119.3° | 119.9° |
| C39 | C40 | C41 | 120.5° | 120.2° |
| C40 | C39 | H27 | 120.0° | 119.9° |
| F45 | C40 | C41 | 120.2° | 119.9° |
| N31 | C29 | O30 | 119.6° | 120.0° |
| N31 | C29 | C26 | 125.1° | 120.0° |
| C38 | C22 | C21 | 119.7° | 120.1° |
| C38 | C22 | C42 | 119.3° | 119.8° |
| C22 | C38 | H26 | 119.9° | 120.1° |
| C28 | C27 | C26 | 120.3° | 119.9° |
| C27 | C28 | C23 | 120.9° | 120.0° |
| C28 | C27 | H16 | 119.8° | 120.1° |
| C27 | C28 | H17 | 119.5° | 120.0° |
| C27 | C26 | C29 | 119.1° | 120.0° |
| C27 | C26 | C25 | 119.3° | 120.0° |
| C26 | C27 | H16 | 119.9° | 120.0° |
| C40 | C41 | C42 | 120.1° | 120.1° |
| C40 | C41 | H28 | 120.0° | 120.0° |
| C28 | C23 | C19 | 119.0° | 120.0° |
| C28 | C23 | C24 | 118.9° | 120.1° |
| C23 | C28 | H17 | 119.6° | 120.0° |
| O30 | C29 | C26 | 115.2° | 120.0° |
| C29 | C26 | C25 | 121.6° | 120.0° |
| C26 | C25 | C24 | 120.3° | 120.0° |
| C26 | C25 | H15 | 119.8° | 120.0° |
| C21 | C22 | C42 | 121.0° | 120.1° |
| C22 | C21 | C20 | 119.3° | 120.1° |
| C22 | C21 | C17 | 121.3° | 120.1° |
| C22 | C42 | C41 | 119.9° | 119.9° |
| C22 | C42 | H29 | 120.0° | 120.0° |
| C42 | C41 | H28 | 120.0° | 120.0° |
| C41 | C42 | H29 | 120.1° | 120.0° |
| C21 | C20 | C19 | 121.7° | 120.4° |
| C20 | C21 | C17 | 119.3° | 119.9° |
| C21 | C20 | H13 | 119.2° | 119.8° |
| C20 | C19 | C23 | 115.9° | 119.9° |
| C20 | C19 | C18 | 119.3° | 120.1° |
| C19 | C20 | H13 | 119.1° | 119.8° |
| C19 | C23 | C24 | 122.1° | 120.0° |
| C23 | C19 | C18 | 124.8° | 119.9° |
| C23 | C24 | C25 | 120.3° | 120.0° |
| C23 | C24 | H14 | 119.8° | 120.0° |
| C21 | C17 | O13 | 131.6° | 133.2° |
| C21 | C17 | C16 | 120.1° | 119.5° |
| C19 | C18 | C16 | 119.6° | 119.8° |
| C19 | C18 | H3 | 120.2° | 120.2° |
| C25 | C24 | H14 | 119.9° | 120.0° |
| C24 | C25 | H15 | 119.9° | 120.0° |
| O13 | C17 | C16 | 108.2° | 107.3° |
| C17 | O13 | C14 | 111.1° | 110.9° |
| C17 | C16 | C18 | 119.9° | 120.3° |
| C17 | C16 | C15 | 104.3° | 105.5° |
| C18 | C16 | C15 | 135.7° | 134.2° |
| C16 | C18 | H3 | 120.2° | 120.1° |
| O13 | C14 | C15 | 110.1° | 110.2° |
| O13 | C14 | C12 | 120.7° | 124.9° |
| C16 | C15 | C14 | 106.3° | 106.2° |
| C16 | C15 | H4 | 126.9° | 126.9° |
| C15 | C14 | C12 | 129.2° | 125.0° |
| C14 | C15 | H4 | 126.8° | 126.9° |
| C14 | C12 | N5 | 114.3° | 109.4° |
| C14 | C12 | H5 | 108.3° | 109.5° |
| C14 | C12 | H6 | 108.3° | 109.4° |
| C12 | N5 | C1 | 120.7° | 120.0° |
| N5 | C12 | H5 | 108.2° | 109.5° |
| N5 | C12 | H6 | 108.3° | 109.4° |
| C12 | N5 | H12 | 119.6° | 120.0° |
| N5 | C1 | O4 | 121.7° | 120.0° |
| N5 | C1 | C2 | 117.5° | 120.0° |
| C1 | N5 | H12 | 119.7° | 120.0° |
| O4 | C1 | C2 | 120.8° | 120.0° |
| C1 | C2 | C3 | 124.5° | 120.0° |
| C1 | C2 | H11 | 117.7° | 120.0° |
| C2 | C3 | C7 | 119.0° | 120.0° |
| C2 | C3 | H10 | 120.5° | 120.0° |
| C3 | C2 | H11 | 117.7° | 120.0° |
| C3 | C7 | C8 | 122.1° | 120.5° |
| C3 | C7 | C6 | 120.1° | 120.5° |
| C7 | C3 | H10 | 120.5° | 120.0° |
| C8 | C7 | C6 | 117.8° | 119.0° |
| C7 | C8 | C9 | 119.5° | 118.5° |
| C7 | C8 | H8 | 120.2° | 120.8° |
| C7 | C6 | N11 | 120.8° | 120.5° |
| C7 | C6 | H9 | 119.6° | 119.8° |
| C8 | C9 | C10 | 119.1° | 119.4° |
| C8 | C9 | H7 | 120.4° | 120.3° |
| C9 | C8 | H8 | 120.2° | 120.7° |
| C6 | N11 | C10 | 122.0° | 121.7° |
| N11 | C6 | H9 | 119.6° | 119.7° |
| C9 | C10 | N11 | 120.8° | 121.0° |
| C9 | C10 | N32 | 119.1° | 119.5° |
| C10 | C9 | H7 | 120.5° | 120.3° |
| N11 | C10 | N32 | 120.1° | 119.5° |
| C10 | N32 | H18 | 109.5° | 120.0° |
| C10 | N32 | H19 | 109.4° | 120.0° |
| H1 | C36 | H2 | 109.5° | 109.5° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H18 | N32 | H19 | 109.5° | 120.0° |
| H20 | C33 | H21 | 109.5° | 109.6° |
| H22 | C34 | H23 | 109.5° | 109.6° |
| H24 | C37 | H25 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F44 | C35 | F43 | C34 | 119.6° | 120.0° |
| F44 | C35 | F43 | C36 | 119.3° | 120.0° |
| F44 | C35 | C34 | C36 | 119.9° | 120.1° |
| F44 | C35 | C34 | C33 | 176.2° | 58.7° |
| F44 | C35 | C36 | C37 | 175.1° | 58.7° |
| F44 | C35 | C36 | H1 | 54.9° | 61.3° |
| F44 | C35 | C36 | H2 | 64.6° | 178.6° |
| F44 | C35 | C34 | H22 | 63.7° | 61.3° |
| F44 | C35 | C34 | H23 | 56.1° | 178.6° |
| F43 | C35 | C34 | C36 | 121.0° | 120.0° |
| F43 | C35 | C34 | C33 | 64.7° | 178.6° |
| F43 | C35 | C36 | C37 | 66.0° | 178.6° |
| F43 | C35 | C36 | H1 | 173.7° | 58.7° |
| F43 | C35 | C36 | H2 | 54.2° | 61.5° |
| F43 | C35 | C34 | H22 | 55.4° | 58.7° |
| F43 | C35 | C34 | H23 | 175.2° | 61.4° |
| C35 | C34 | C33 | H22 | 120.1° | 119.9° |
| C35 | C34 | C33 | H23 | 120.1° | 119.9° |
| C34 | C35 | C36 | C37 | 55.1° | 61.4° |
| C35 | C34 | C33 | N31 | 58.1° | 54.6° |
| C34 | C35 | C36 | H1 | 65.2° | 178.7° |
| C34 | C35 | C36 | H2 | 175.3° | 58.6° |
| C35 | C34 | C33 | H20 | 61.8° | 65.1° |
| C35 | C34 | C33 | H21 | 177.9° | 174.5° |
| C35 | C34 | H22 | H23 | 119.7° | 120.1° |
| C36 | C35 | C34 | C33 | 56.3° | 61.4° |
| C35 | C36 | C37 | H1 | 120.3° | 120.0° |
| C35 | C36 | C37 | H2 | 120.2° | 120.0° |
| C35 | C36 | C37 | N31 | 55.4° | 54.6° |
| C35 | C36 | H1 | H2 | 119.2° | 120.1° |
| C36 | C35 | C34 | H22 | 176.4° | 178.7° |
| C36 | C35 | C34 | H23 | 63.8° | 58.6° |
| C35 | C36 | C37 | H24 | 175.3° | 65.2° |
| C35 | C36 | C37 | H25 | 64.6° | 174.4° |
| C34 | C33 | N31 | H20 | 119.9° | 119.8° |
| C34 | C33 | N31 | H21 | 119.8° | 119.9° |
| C34 | C33 | N31 | C37 | 61.0° | 53.7° |
| C34 | C33 | N31 | C29 | 119.1° | 126.4° |
| C34 | C33 | H20 | H21 | 120.4° | 120.4° |
| C33 | C34 | H22 | H23 | 119.6° | 120.1° |
| C36 | C37 | N31 | C33 | 59.6° | 53.7° |
| C36 | C37 | N31 | H24 | 119.9° | 119.8° |
| C36 | C37 | N31 | H25 | 119.9° | 119.8° |
| C36 | C37 | N31 | C29 | 120.5° | 126.4° |
| C37 | C36 | H1 | H2 | 119.3° | 120.0° |
| C36 | C37 | H24 | H25 | 120.1° | 120.3° |
| C33 | N31 | C37 | C29 | 179.8° | 179.9° |
| C33 | N31 | C29 | O30 | 179.4° | 174.2° |
| C33 | N31 | C29 | C26 | 1.2° | 5.8° |
| N31 | C33 | H20 | H21 | 120.4° | 120.3° |
| N31 | C33 | C34 | H22 | 178.2° | 174.5° |
| N31 | C33 | C34 | H23 | 62.1° | 65.3° |
| C33 | N31 | C37 | H24 | 179.6° | 66.1° |
| C33 | N31 | C37 | H25 | 60.3° | 173.5° |
| C37 | N31 | C29 | O30 | 0.8° | 5.9° |
| C37 | N31 | C29 | C26 | 179.0° | 174.2° |
| N31 | C37 | C36 | H1 | 64.9° | 174.6° |
| N31 | C37 | C36 | H2 | 175.6° | 65.3° |
| C37 | N31 | C33 | H20 | 58.8° | 66.1° |
| C37 | N31 | C33 | H21 | 179.1° | 173.5° |
| N31 | C37 | H24 | H25 | 120.2° | 120.4° |
| C38 | C39 | C40 | H27 | 180.0° | 179.9° |
| C38 | C39 | C40 | F45 | 179.6° | 180.0° |
| C39 | C38 | C22 | H26 | 180.0° | 180.0° |
| C38 | C39 | C40 | C41 | 0.0° | 0.0° |
| C39 | C38 | C22 | C21 | 179.7° | 180.0° |
| C39 | C38 | C22 | C42 | 0.1° | 0.2° |
| C39 | C40 | F45 | C41 | 179.6° | 180.0° |
| C40 | C39 | C38 | C22 | 0.0° | 0.1° |
| C39 | C40 | C41 | C42 | 0.0° | 0.3° |
| C40 | C39 | C38 | H26 | 180.0° | 180.0° |
| C39 | C40 | C41 | H28 | 180.0° | 180.0° |
| F45 | C40 | C41 | C42 | 179.6° | 179.7° |
| F45 | C40 | C39 | H27 | 0.4° | 0.0° |
| F45 | C40 | C41 | H28 | 0.4° | 0.1° |
| N31 | C29 | C26 | C27 | 65.6° | 41.7° |
| N31 | C29 | O30 | C26 | 178.3° | 179.9° |
| N31 | C29 | C26 | C25 | 116.5° | 138.3° |
| C29 | N31 | C33 | H20 | 121.0° | 113.8° |
| C29 | N31 | C33 | H21 | 0.7° | 6.5° |
| C29 | N31 | C37 | H24 | 0.6° | 113.8° |
| C29 | N31 | C37 | H25 | 119.6° | 6.6° |
| C38 | C22 | C21 | C42 | 179.6° | 179.8° |
| C38 | C22 | C42 | C41 | 0.1° | 0.5° |
| C38 | C22 | C21 | C20 | 44.1° | 130.3° |
| C38 | C22 | C21 | C17 | 136.5° | 49.6° |
| C22 | C38 | C39 | H27 | 180.0° | 180.0° |
| C38 | C22 | C42 | H29 | 179.9° | 179.7° |
| C28 | C27 | C26 | H16 | 180.0° | 179.5° |
| C27 | C28 | C23 | H17 | 180.0° | 179.4° |
| C28 | C27 | C26 | C29 | 179.3° | 179.7° |
| C28 | C27 | C26 | C25 | 1.4° | 0.3° |
| C27 | C28 | C23 | C19 | 178.7° | 179.8° |
| C27 | C28 | C23 | C24 | 0.2° | 0.6° |
| C26 | C27 | C28 | C23 | 0.7° | 0.5° |
| C27 | C26 | C29 | O30 | 112.6° | 138.4° |
| C27 | C26 | C29 | C25 | 177.8° | 180.0° |
| C27 | C26 | C25 | C24 | 1.3° | 0.0° |
| C27 | C26 | C25 | H15 | 178.7° | 180.0° |
| C26 | C27 | C28 | H17 | 179.3° | 179.9° |
| C40 | C41 | C42 | C22 | 0.1° | 0.5° |
| C40 | C41 | C42 | H28 | 180.0° | 179.7° |
| C41 | C40 | C39 | H27 | 179.9° | 180.0° |
| C40 | C41 | C42 | H29 | 179.9° | 179.7° |
| C28 | C23 | C19 | C20 | 47.2° | 0.3° |
| C28 | C23 | C19 | C24 | 178.5° | 179.7° |
| C28 | C23 | C19 | C18 | 133.9° | 179.7° |
| C28 | C23 | C24 | C25 | 0.3° | 0.3° |
| C28 | C23 | C24 | H14 | 179.7° | 179.7° |
| C23 | C28 | C27 | H16 | 179.3° | 180.0° |
| O30 | C29 | C26 | C25 | 65.2° | 41.6° |
| C29 | C26 | C25 | C24 | 179.1° | 180.0° |
| C29 | C26 | C25 | H15 | 0.9° | 0.1° |
| C29 | C26 | C27 | H16 | 0.8° | 0.3° |
| C26 | C25 | C24 | C23 | 0.5° | 0.0° |
| C26 | C25 | C24 | H15 | 180.0° | 179.9° |
| C26 | C25 | C24 | H14 | 179.5° | 180.0° |
| C25 | C26 | C27 | H16 | 178.6° | 179.7° |
| C21 | C22 | C42 | C41 | 179.7° | 179.7° |
| C22 | C21 | C20 | C17 | 179.5° | 179.8° |
| C22 | C21 | C20 | C19 | 179.7° | 180.0° |
| C22 | C21 | C17 | O13 | 0.7° | 0.4° |
| C22 | C21 | C17 | C16 | 179.5° | 179.7° |
| C22 | C21 | C20 | H13 | 0.3° | 0.2° |
| C21 | C22 | C38 | H26 | 0.3° | 0.1° |
| C21 | C22 | C42 | H29 | 0.2° | 0.1° |
| C22 | C42 | C41 | H29 | 180.0° | 179.8° |
| C42 | C22 | C21 | C20 | 135.6° | 49.9° |
| C42 | C22 | C21 | C17 | 43.9° | 130.3° |
| C42 | C22 | C38 | H26 | 179.9° | 179.8° |
| C22 | C42 | C41 | H28 | 179.9° | 179.8° |
| C21 | C20 | C19 | H13 | 180.0° | 179.8° |
| C21 | C20 | C19 | C23 | 179.8° | 180.0° |
| C21 | C20 | C19 | C18 | 1.2° | 0.1° |
| C20 | C21 | C17 | O13 | 179.8° | 179.8° |
| C20 | C21 | C17 | C16 | 0.0° | 0.5° |
| C20 | C19 | C23 | C18 | 178.9° | 180.0° |
| C20 | C19 | C23 | C24 | 131.3° | 180.0° |
| C19 | C20 | C21 | C17 | 0.8° | 0.2° |
| C20 | C19 | C18 | C16 | 0.8° | 0.0° |
| C20 | C19 | C18 | H3 | 179.2° | 179.7° |
| C19 | C23 | C24 | C25 | 178.7° | 180.0° |
| C23 | C19 | C18 | C16 | 179.7° | 180.0° |
| C23 | C19 | C18 | H3 | 0.3° | 0.3° |
| C23 | C19 | C20 | H13 | 0.2° | 0.2° |
| C19 | C23 | C24 | H14 | 1.3° | 0.1° |
| C19 | C23 | C28 | H17 | 1.3° | 0.4° |
| C24 | C23 | C19 | C18 | 47.7° | 0.0° |
| C23 | C24 | C25 | H14 | 180.0° | 179.9° |
| C23 | C24 | C25 | H15 | 179.6° | 179.9° |
| C24 | C23 | C28 | H17 | 179.8° | 180.0° |
| C21 | C17 | O13 | C16 | 179.8° | 179.4° |
| C21 | C17 | C16 | C18 | 0.4° | 0.5° |
| C21 | C17 | O13 | C14 | 178.9° | 179.4° |
| C21 | C17 | C16 | C15 | 179.3° | 179.5° |
| C17 | C21 | C20 | H13 | 179.1° | 180.0° |
| C19 | C18 | C16 | C17 | 0.0° | 0.3° |
| C19 | C18 | C16 | H3 | 180.0° | 179.7° |
| C19 | C18 | C16 | C15 | 178.5° | 179.7° |
| C18 | C19 | C20 | H13 | 178.8° | 179.7° |
| O13 | C17 | C16 | C18 | 179.5° | 180.0° |
| O13 | C17 | C16 | C15 | 0.5° | 0.0° |
| C17 | O13 | C14 | C15 | 0.9° | 0.0° |
| C17 | O13 | C14 | C12 | 177.7° | 180.0° |
| C17 | C16 | C18 | C15 | 178.6° | 180.0° |
| C16 | C17 | O13 | C14 | 0.9° | 0.0° |
| C17 | C16 | C15 | C14 | 0.0° | 0.0° |
| C17 | C16 | C18 | H3 | 180.0° | 180.0° |
| C17 | C16 | C15 | H4 | 180.0° | 180.0° |
| C18 | C16 | C15 | C14 | 178.7° | 180.0° |
| C18 | C16 | C15 | H4 | 1.3° | 0.0° |
| O13 | C14 | C15 | C16 | 0.5° | 0.0° |
| O13 | C14 | C15 | C12 | 178.4° | 180.0° |
| O13 | C14 | C12 | N5 | 143.0° | 90.0° |
| O13 | C14 | C15 | H4 | 179.5° | 180.0° |
| O13 | C14 | C12 | H5 | 96.3° | 30.0° |
| O13 | C14 | C12 | H6 | 22.3° | 150.0° |
| C16 | C15 | C14 | H4 | 180.0° | 180.0° |
| C16 | C15 | C14 | C12 | 177.9° | 180.0° |
| C15 | C16 | C18 | H3 | 1.4° | 0.0° |
| C15 | C14 | C12 | N5 | 38.7° | 90.0° |
| C15 | C14 | C12 | H5 | 82.0° | 150.0° |
| C15 | C14 | C12 | H6 | 159.4° | 29.9° |
| C14 | C12 | N5 | H5 | 120.7° | 120.0° |
| C14 | C12 | N5 | H6 | 120.7° | 119.9° |
| C14 | C12 | N5 | C1 | 164.6° | 180.0° |
| C12 | C14 | C15 | H4 | 2.0° | 0.0° |
| C14 | C12 | H5 | H6 | 117.8° | 120.0° |
| C14 | C12 | N5 | H12 | 15.4° | 0.1° |
| C12 | N5 | C1 | H12 | 180.0° | 179.9° |
| C12 | N5 | C1 | O4 | 0.6° | 0.1° |
| C12 | N5 | C1 | C2 | 179.9° | 180.0° |
| N5 | C12 | H5 | H6 | 117.8° | 120.0° |
| N5 | C1 | O4 | C2 | 179.3° | 180.0° |
| N5 | C1 | C2 | C3 | 179.7° | 180.0° |
| C1 | N5 | C12 | H5 | 74.7° | 60.0° |
| C1 | N5 | C12 | H6 | 43.9° | 60.1° |
| N5 | C1 | C2 | H11 | 0.3° | 0.0° |
| O4 | C1 | C2 | C3 | 0.3° | 0.0° |
| O4 | C1 | C2 | H11 | 179.7° | 180.0° |
| O4 | C1 | N5 | H12 | 179.4° | 180.0° |
| C1 | C2 | C3 | H11 | 180.0° | 179.9° |
| C1 | C2 | C3 | C7 | 178.6° | 180.0° |
| C1 | C2 | C3 | H10 | 1.4° | 0.1° |
| C2 | C1 | N5 | H12 | 0.1° | 0.0° |
| C2 | C3 | C7 | H10 | 180.0° | 179.9° |
| C2 | C3 | C7 | C8 | 36.0° | 179.9° |
| C2 | C3 | C7 | C6 | 142.4° | 0.0° |
| C3 | C7 | C8 | C6 | 178.4° | 180.0° |
| C3 | C7 | C8 | C9 | 178.9° | 180.0° |
| C3 | C7 | C6 | N11 | 179.2° | 179.8° |
| C3 | C7 | C8 | H8 | 1.1° | 0.0° |
| C3 | C7 | C6 | H9 | 0.8° | 0.3° |
| C7 | C3 | C2 | H11 | 1.4° | 0.1° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C8 | C7 | C6 | N11 | 0.8° | 0.2° |
| C7 | C8 | C9 | C10 | 0.1° | 0.0° |
| C7 | C8 | C9 | H7 | 179.9° | 180.0° |
| C8 | C7 | C6 | H9 | 179.2° | 179.7° |
| C8 | C7 | C3 | H10 | 144.0° | 0.0° |
| C6 | C7 | C8 | C9 | 0.5° | 0.0° |
| C7 | C6 | N11 | H9 | 180.0° | 179.5° |
| C7 | C6 | N11 | C10 | 0.7° | 0.5° |
| C6 | C7 | C8 | H8 | 179.5° | 180.0° |
| C6 | C7 | C3 | H10 | 37.6° | 180.0° |
| C8 | C9 | C10 | H7 | 180.0° | 180.0° |
| C8 | C9 | C10 | N11 | 0.0° | 0.2° |
| C8 | C9 | C10 | N32 | 180.0° | 180.0° |
| C6 | N11 | C10 | C9 | 0.3° | 0.5° |
| C6 | N11 | C10 | N32 | 179.7° | 179.8° |
| C9 | C10 | N11 | N32 | 180.0° | 179.8° |
| C10 | C9 | C8 | H8 | 179.9° | 180.0° |
| C9 | C10 | N32 | H18 | 179.9° | 0.0° |
| C9 | C10 | N32 | H19 | 60.0° | 180.0° |
| N11 | C10 | C9 | H7 | 180.0° | 179.8° |
| C10 | N11 | C6 | H9 | 179.3° | 180.0° |
| N11 | C10 | N32 | H18 | 0.0° | 179.7° |
| N11 | C10 | N32 | H19 | 120.0° | 0.3° |
| N32 | C10 | C9 | H7 | 0.0° | 0.0° |
| C10 | N32 | H18 | H19 | 120.0° | 180.0° |
| H1 | C36 | C37 | H24 | 55.1° | 54.8° |
| H1 | C36 | C37 | H25 | 175.2° | 65.6° |
| H2 | C36 | C37 | H24 | 64.5° | 174.8° |
| H2 | C36 | C37 | H25 | 55.7° | 54.5° |
| H5 | C12 | N5 | H12 | 105.3° | 119.9° |
| H6 | C12 | N5 | H12 | 136.1° | 120.0° |
| H7 | C9 | C8 | H8 | 0.1° | 0.0° |
| H10 | C3 | C2 | H11 | 178.6° | 180.0° |
| H14 | C24 | C25 | H15 | 0.4° | 0.0° |
| H16 | C27 | C28 | H17 | 0.7° | 0.6° |
| H20 | C33 | C34 | H22 | 58.3° | 54.8° |
| H20 | C33 | C34 | H23 | 178.1° | 174.9° |
| H21 | C33 | C34 | H22 | 62.0° | 65.6° |
| H21 | C33 | C34 | H23 | 57.8° | 54.5° |
| H26 | C38 | C39 | H27 | 0.0° | 0.0° |
| H28 | C41 | C42 | H29 | 0.1° | 0.0° |
