72X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.43Å | 1.45Å | |
| C1 | C3 | sing | 1.51Å | 1.58Å | |
| C1 | C15 | sing | 1.53Å | 1.58Å | |
| C1 | C48 | sing | 1.53Å | 1.62Å | |
| C3 | C4 | doub | 1.38Å | 1.46Å | Aromatic |
| C3 | C5 | sing | 1.38Å | 1.55Å | Aromatic |
| C4 | C6 | sing | 1.38Å | 1.46Å | Aromatic |
| C5 | C7 | doub | 1.38Å | 1.44Å | Aromatic |
| C6 | C8 | doub | 1.38Å | 1.46Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.47Å | Aromatic |
| C7 | CL1 | sing | 1.74Å | 1.69Å | |
| C15 | C18 | sing | 1.53Å | 1.56Å | |
| C18 | C21 | sing | 1.53Å | 1.55Å | |
| C21 | C24 | sing | 1.53Å | 1.54Å | |
| C24 | O27 | sing | 1.43Å | 1.40Å | |
| O27 | C28 | sing | 1.43Å | 1.41Å | |
| C32 | C33 | sing | 1.53Å | 1.56Å | |
| C32 | C34 | sing | 1.53Å | 1.55Å | |
| C32 | N42 | sing | 1.46Å | 1.45Å | |
| C33 | N35 | sing | 1.47Å | 1.47Å | |
| C34 | C36 | sing | 1.53Å | 1.55Å | |
| N35 | C51 | sing | 1.47Å | 1.47Å | |
| C36 | C37 | sing | 1.53Å | 1.55Å | |
| C36 | C40 | sing | 1.53Å | 1.62Å | |
| C37 | C38 | sing | 1.53Å | 1.56Å | |
| C38 | C39 | sing | 1.53Å | 1.56Å | |
| C39 | C41 | sing | 1.53Å | 1.60Å | |
| C40 | C41 | sing | 1.53Å | 1.58Å | |
| N42 | C43 | sing | 1.35Å | 1.38Å | |
| C43 | O44 | doub | 1.22Å | 1.23Å | |
| C43 | N45 | sing | 1.35Å | 1.40Å | |
| N45 | C49 | sing | 1.47Å | 1.53Å | |
| N45 | C50 | sing | 1.47Å | 1.44Å | |
| C46 | C47 | sing | 1.53Å | 1.57Å | |
| C46 | C50 | sing | 1.53Å | 1.59Å | |
| C47 | C48 | sing | 1.53Å | 1.63Å | |
| C48 | C49 | sing | 1.53Å | 1.63Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| N35 | HN35 | sing | 1.01Å | 1.00Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| N42 | HN42 | sing | 0.97Å | 1.00Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C46 | H46A | sing | 1.09Å | 1.10Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C47 | H47A | sing | 1.09Å | 1.10Å | |
| C48 | H48 | sing | 1.09Å | 1.10Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C49 | H49A | sing | 1.09Å | 1.10Å | |
| C50 | H50 | sing | 1.09Å | 1.10Å | |
| C50 | H50A | sing | 1.09Å | 1.10Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C51 | H51A | sing | 1.09Å | 1.10Å | |
| C51 | H51B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | C3 | 109.4° | 109.5° |
| O2 | C1 | C15 | 107.4° | 109.5° |
| O2 | C1 | C48 | 109.0° | 109.5° |
| C1 | O2 | HO2 | 109.5° | 114.0° |
| C3 | C1 | C15 | 109.9° | 109.5° |
| C3 | C1 | C48 | 111.9° | 109.5° |
| C1 | C3 | C4 | 128.0° | 120.0° |
| C1 | C3 | C5 | 112.4° | 120.0° |
| C15 | C1 | C48 | 109.2° | 109.5° |
| C1 | C15 | C18 | 120.4° | 109.5° |
| C1 | C15 | H15 | 106.0° | 109.5° |
| C1 | C15 | H15A | 103.4° | 109.5° |
| C1 | C48 | C47 | 113.2° | 109.4° |
| C1 | C48 | C49 | 115.5° | 109.3° |
| C1 | C48 | H48 | 101.0° | 109.5° |
| C4 | C3 | C5 | 119.6° | 120.0° |
| C3 | C4 | C6 | 119.5° | 120.0° |
| C3 | C4 | H4 | 120.2° | 120.0° |
| C3 | C5 | C7 | 118.8° | 120.0° |
| C3 | C5 | H5 | 120.6° | 120.0° |
| C4 | C6 | C8 | 120.8° | 120.0° |
| C6 | C4 | H4 | 120.2° | 120.0° |
| C4 | C6 | H6 | 119.6° | 120.0° |
| C5 | C7 | C8 | 120.5° | 120.0° |
| C5 | C7 | CL1 | 119.4° | 120.0° |
| C7 | C5 | H5 | 120.6° | 120.0° |
| C6 | C8 | C7 | 120.8° | 120.0° |
| C8 | C6 | H6 | 119.6° | 120.0° |
| C6 | C8 | H8 | 119.6° | 120.1° |
| C8 | C7 | CL1 | 120.1° | 120.0° |
| C7 | C8 | H8 | 119.6° | 120.0° |
| C15 | C18 | C21 | 116.6° | 109.5° |
| C18 | C15 | H15 | 106.0° | 109.4° |
| C18 | C15 | H15A | 103.5° | 109.5° |
| C15 | C18 | H18 | 107.1° | 109.4° |
| C15 | C18 | H18A | 105.5° | 109.4° |
| C18 | C21 | C24 | 114.9° | 109.4° |
| C21 | C18 | H18 | 107.2° | 109.5° |
| C21 | C18 | H18A | 105.5° | 109.5° |
| C18 | C21 | H21 | 107.7° | 109.5° |
| C18 | C21 | H21A | 106.5° | 109.5° |
| C21 | C24 | O27 | 109.9° | 109.5° |
| C24 | C21 | H21 | 107.7° | 109.4° |
| C24 | C21 | H21A | 106.4° | 109.5° |
| C21 | C24 | H24 | 109.3° | 109.4° |
| C21 | C24 | H24A | 109.2° | 109.5° |
| C24 | O27 | C28 | 112.6° | 114.0° |
| O27 | C24 | H24 | 109.3° | 109.4° |
| O27 | C24 | H24A | 109.2° | 109.5° |
| O27 | C28 | H28 | 109.5° | 109.4° |
| O27 | C28 | H28A | 109.4° | 109.5° |
| O27 | C28 | H28B | 109.5° | 109.4° |
| C33 | C32 | C34 | 113.8° | 109.4° |
| C33 | C32 | N42 | 109.6° | 109.5° |
| C32 | C33 | N35 | 112.9° | 109.4° |
| C33 | C32 | H32 | 105.6° | 109.5° |
| C32 | C33 | H33 | 108.4° | 109.5° |
| C32 | C33 | H33A | 107.6° | 109.5° |
| C34 | C32 | N42 | 107.3° | 109.4° |
| C32 | C34 | C36 | 117.4° | 109.5° |
| C34 | C32 | H32 | 108.1° | 109.5° |
| C32 | C34 | H34 | 106.9° | 109.5° |
| C32 | C34 | H34A | 105.1° | 109.5° |
| C32 | N42 | C43 | 129.0° | 120.0° |
| N42 | C32 | H32 | 112.4° | 109.5° |
| C32 | N42 | HN42 | 115.5° | 120.0° |
| C33 | N35 | C51 | 115.0° | 111.0° |
| N35 | C33 | H33 | 108.3° | 109.5° |
| N35 | C33 | H33A | 107.6° | 109.4° |
| C33 | N35 | HN35 | 107.7° | 111.0° |
| C34 | C36 | C37 | 111.2° | 109.5° |
| C34 | C36 | C40 | 111.3° | 109.5° |
| C36 | C34 | H34 | 106.9° | 109.5° |
| C36 | C34 | H34A | 105.1° | 109.4° |
| C34 | C36 | H36 | 106.7° | 109.5° |
| C51 | N35 | HN35 | 107.6° | 111.0° |
| N35 | C51 | H51 | 109.5° | 109.4° |
| N35 | C51 | H51A | 109.4° | 109.5° |
| N35 | C51 | H51B | 109.5° | 109.5° |
| C37 | C36 | C40 | 108.4° | 109.5° |
| C36 | C37 | C38 | 113.3° | 109.5° |
| C37 | C36 | H36 | 109.7° | 109.5° |
| C36 | C37 | H37 | 108.2° | 109.5° |
| C36 | C37 | H37A | 107.3° | 109.5° |
| C36 | C40 | C41 | 113.2° | 109.5° |
| C40 | C36 | H36 | 109.6° | 109.5° |
| C36 | C40 | H40 | 108.2° | 109.5° |
| C36 | C40 | H40A | 107.4° | 109.5° |
| C37 | C38 | C39 | 114.0° | 109.5° |
| C38 | C37 | H37 | 108.2° | 109.5° |
| C38 | C37 | H37A | 107.3° | 109.4° |
| C37 | C38 | H38 | 108.0° | 109.5° |
| C37 | C38 | H38A | 107.0° | 109.5° |
| C38 | C39 | C41 | 114.8° | 109.5° |
| C39 | C38 | H38 | 108.0° | 109.5° |
| C39 | C38 | H38A | 107.0° | 109.5° |
| C38 | C39 | H39 | 107.7° | 109.4° |
| C38 | C39 | H39A | 106.5° | 109.5° |
| C39 | C41 | C40 | 111.9° | 109.5° |
| C41 | C39 | H39 | 107.7° | 109.5° |
| C41 | C39 | H39A | 106.5° | 109.5° |
| C39 | C41 | H41 | 108.7° | 109.5° |
| C39 | C41 | H41A | 108.2° | 109.5° |
| C41 | C40 | H40 | 108.2° | 109.4° |
| C41 | C40 | H40A | 107.4° | 109.5° |
| C40 | C41 | H41 | 108.7° | 109.5° |
| C40 | C41 | H41A | 108.2° | 109.5° |
| N42 | C43 | O44 | 122.0° | 120.0° |
| N42 | C43 | N45 | 113.8° | 120.0° |
| C43 | N42 | HN42 | 115.5° | 120.0° |
| O44 | C43 | N45 | 124.2° | 120.0° |
| C43 | N45 | C49 | 125.4° | 120.6° |
| C43 | N45 | C50 | 122.2° | 120.6° |
| C49 | N45 | C50 | 112.4° | 118.8° |
| N45 | C49 | C48 | 103.0° | 108.8° |
| N45 | C49 | H49 | 111.7° | 109.6° |
| N45 | C49 | H49A | 113.1° | 109.6° |
| N45 | C50 | C46 | 101.7° | 108.7° |
| N45 | C50 | H50 | 112.1° | 109.6° |
| N45 | C50 | H50A | 113.7° | 109.6° |
| C47 | C46 | C50 | 107.3° | 109.3° |
| C46 | C47 | C48 | 115.1° | 109.3° |
| C47 | C46 | H46 | 110.2° | 109.4° |
| C47 | C46 | H46A | 110.7° | 109.5° |
| C46 | C47 | H47 | 107.6° | 109.5° |
| C46 | C47 | H47A | 106.3° | 109.5° |
| C50 | C46 | H46 | 110.2° | 109.3° |
| C50 | C46 | H46A | 110.6° | 109.7° |
| C46 | C50 | H50 | 112.1° | 109.6° |
| C46 | C50 | H50A | 113.8° | 109.6° |
| C47 | C48 | C49 | 104.7° | 109.4° |
| C48 | C47 | H47 | 107.6° | 109.4° |
| C48 | C47 | H47A | 106.4° | 109.7° |
| C47 | C48 | H48 | 112.6° | 109.5° |
| C49 | C48 | H48 | 110.1° | 109.7° |
| C48 | C49 | H49 | 111.7° | 109.6° |
| C48 | C49 | H49A | 113.1° | 109.6° |
| H15 | C15 | H15A | 118.5° | 109.4° |
| H18 | C18 | H18A | 115.3° | 109.5° |
| H21 | C21 | H21A | 113.8° | 109.5° |
| H24 | C24 | H24A | 109.8° | 109.5° |
| H28 | C28 | H28A | 109.5° | 109.5° |
| H28 | C28 | H28B | 109.4° | 109.5° |
| H28A | C28 | H28B | 109.5° | 109.5° |
| H33 | C33 | H33A | 112.1° | 109.5° |
| H34 | C34 | H34A | 115.9° | 109.5° |
| H37 | C37 | H37A | 112.5° | 109.5° |
| H38 | C38 | H38A | 113.1° | 109.4° |
| H39 | C39 | H39A | 113.7° | 109.5° |
| H40 | C40 | H40A | 112.5° | 109.5° |
| H41 | C41 | H41A | 111.3° | 109.5° |
| H46 | C46 | H46A | 107.8° | 109.5° |
| H47 | C47 | H47A | 114.0° | 109.5° |
| H49 | C49 | H49A | 104.6° | 109.7° |
| H50 | C50 | H50A | 103.7° | 109.7° |
| H51 | C51 | H51A | 109.5° | 109.5° |
| H51 | C51 | H51B | 109.5° | 109.5° |
| H51A | C51 | H51B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | C3 | C15 | 117.7° | 120.0° |
| O2 | C1 | C3 | C48 | 120.9° | 120.0° |
| O2 | C1 | C15 | C48 | 118.0° | 120.0° |
| O2 | C1 | C3 | C4 | 1.0° | 30.0° |
| O2 | C1 | C3 | C5 | 179.1° | 150.3° |
| O2 | C1 | C15 | C18 | 62.1° | 60.0° |
| O2 | C1 | C48 | C47 | 62.5° | 60.0° |
| O2 | C1 | C48 | C49 | 58.2° | 59.7° |
| O2 | C1 | C15 | H15 | 57.9° | 60.0° |
| O2 | C1 | C15 | H15A | 176.7° | 180.0° |
| O2 | C1 | C48 | H48 | 176.9° | 180.0° |
| C3 | C1 | C15 | C48 | 123.1° | 120.0° |
| C1 | C3 | C4 | C5 | 179.9° | 179.7° |
| C1 | C3 | C4 | C6 | 179.8° | 180.0° |
| C1 | C3 | C5 | C7 | 179.9° | 180.0° |
| C3 | C1 | C15 | C18 | 56.8° | 60.0° |
| C3 | C1 | C48 | C47 | 58.6° | 60.0° |
| C3 | C1 | C48 | C49 | 179.3° | 179.8° |
| C3 | C1 | O2 | HO2 | 170.9° | 180.0° |
| C1 | C3 | C4 | H4 | 0.1° | 0.1° |
| C1 | C3 | C5 | H5 | 0.0° | 0.1° |
| C3 | C1 | C15 | H15 | 176.8° | 180.0° |
| C3 | C1 | C15 | H15A | 57.8° | 60.0° |
| C3 | C1 | C48 | H48 | 62.0° | 60.0° |
| C15 | C1 | C3 | C4 | 116.6° | 90.0° |
| C15 | C1 | C3 | C5 | 63.3° | 89.7° |
| C1 | C15 | C18 | H15 | 120.0° | 120.0° |
| C1 | C15 | C18 | H15A | 114.7° | 120.0° |
| C1 | C15 | C18 | C21 | 179.0° | 180.0° |
| C15 | C1 | C48 | C47 | 179.5° | 180.0° |
| C15 | C1 | C48 | C49 | 58.8° | 60.3° |
| C15 | C1 | O2 | HO2 | 69.8° | 60.0° |
| C1 | C15 | H15 | H15A | 115.5° | 120.0° |
| C1 | C15 | C18 | H18 | 59.1° | 60.0° |
| C1 | C15 | C18 | H18A | 64.3° | 60.0° |
| C15 | C1 | C48 | H48 | 59.9° | 60.0° |
| C48 | C1 | C3 | C4 | 121.9° | 150.1° |
| C48 | C1 | C3 | C5 | 58.2° | 30.3° |
| C48 | C1 | C15 | C18 | 179.9° | 180.0° |
| C1 | C48 | C49 | N45 | 178.9° | 174.5° |
| C1 | C48 | C47 | C46 | 179.2° | 178.7° |
| C1 | C48 | C47 | C49 | 126.7° | 119.7° |
| C1 | C48 | C47 | H48 | 113.7° | 120.0° |
| C1 | C48 | C49 | H48 | 113.6° | 120.1° |
| C48 | C1 | O2 | HO2 | 48.3° | 60.0° |
| C48 | C1 | C15 | H15 | 60.1° | 60.0° |
| C48 | C1 | C15 | H15A | 65.2° | 60.0° |
| C1 | C48 | C47 | H47 | 60.7° | 58.8° |
| C1 | C48 | C47 | H47A | 61.8° | 61.2° |
| C1 | C48 | C49 | H49 | 61.1° | 54.8° |
| C1 | C48 | C49 | H49A | 56.5° | 65.7° |
| C3 | C4 | C6 | H4 | 180.0° | 180.0° |
| C4 | C3 | C5 | C7 | 0.2° | 0.3° |
| C3 | C4 | C6 | C8 | 0.2° | 0.0° |
| C4 | C3 | C5 | H5 | 179.9° | 179.7° |
| C3 | C4 | C6 | H6 | 179.8° | 180.0° |
| C5 | C3 | C4 | C6 | 0.0° | 0.3° |
| C3 | C5 | C7 | H5 | 180.0° | 179.9° |
| C3 | C5 | C7 | C8 | 0.2° | 0.1° |
| C3 | C5 | C7 | CL1 | 179.7° | 180.0° |
| C5 | C3 | C4 | H4 | 180.0° | 179.7° |
| C4 | C6 | C8 | H6 | 180.0° | 180.0° |
| C4 | C6 | C8 | C7 | 0.2° | 0.2° |
| C4 | C6 | C8 | H8 | 179.8° | 180.0° |
| C5 | C7 | C8 | C6 | 0.0° | 0.2° |
| C5 | C7 | C8 | CL1 | 179.9° | 179.9° |
| C5 | C7 | C8 | H8 | 180.0° | 180.0° |
| C6 | C8 | C7 | H8 | 180.0° | 179.8° |
| C6 | C8 | C7 | CL1 | 179.8° | 179.7° |
| C8 | C6 | C4 | H4 | 179.8° | 180.0° |
| C8 | C7 | C5 | H5 | 179.8° | 180.0° |
| C7 | C8 | C6 | H6 | 179.8° | 179.8° |
| CL1 | C7 | C5 | H5 | 0.3° | 0.1° |
| CL1 | C7 | C8 | H8 | 0.1° | 0.1° |
| C15 | C18 | C21 | H18 | 120.0° | 120.0° |
| C15 | C18 | C21 | H18A | 116.7° | 120.0° |
| C15 | C18 | C21 | C24 | 60.7° | 180.0° |
| C18 | C15 | H15 | H15A | 115.5° | 120.0° |
| C15 | C18 | H18 | H18A | 117.1° | 119.9° |
| C15 | C18 | C21 | H21 | 59.2° | 60.1° |
| C15 | C18 | C21 | H21A | 178.3° | 60.0° |
| C18 | C21 | C24 | H21 | 120.0° | 119.9° |
| C18 | C21 | C24 | H21A | 117.6° | 120.0° |
| C18 | C21 | C24 | O27 | 55.9° | 180.0° |
| C21 | C18 | C15 | H15 | 61.0° | 60.0° |
| C21 | C18 | C15 | H15A | 64.4° | 59.9° |
| C21 | C18 | H18 | H18A | 117.1° | 120.1° |
| C18 | C21 | H21 | H21A | 117.8° | 120.1° |
| C18 | C21 | C24 | H24 | 64.2° | 60.1° |
| C18 | C21 | C24 | H24A | 175.6° | 59.9° |
| C21 | C24 | O27 | H24 | 120.0° | 119.9° |
| C21 | C24 | O27 | H24A | 119.8° | 120.1° |
| C21 | C24 | O27 | C28 | 179.2° | 180.0° |
| C24 | C21 | C18 | H18 | 179.3° | 60.1° |
| C24 | C21 | C18 | H18A | 56.0° | 60.0° |
| C24 | C21 | H21 | H21A | 117.8° | 120.0° |
| C21 | C24 | H24 | H24A | 119.8° | 120.0° |
| O27 | C24 | C21 | H21 | 175.8° | 60.1° |
| O27 | C24 | C21 | H21A | 61.7° | 59.9° |
| O27 | C24 | H24 | H24A | 119.8° | 120.0° |
| C24 | O27 | C28 | H28 | 6.2° | 179.9° |
| C24 | O27 | C28 | H28A | 126.2° | 60.0° |
| C24 | O27 | C28 | H28B | 113.8° | 60.0° |
| C28 | O27 | C24 | H24 | 59.1° | 60.0° |
| C28 | O27 | C24 | H24A | 61.1° | 60.0° |
| O27 | C28 | H28 | H28A | 120.0° | 120.0° |
| O27 | C28 | H28 | H28B | 120.0° | 119.9° |
| O27 | C28 | H28A | H28B | 120.0° | 120.0° |
| C33 | C32 | C34 | N42 | 121.5° | 119.9° |
| C33 | C32 | C34 | H32 | 117.0° | 120.0° |
| C33 | C32 | N42 | H32 | 117.2° | 120.0° |
| C32 | C33 | N35 | H33 | 120.0° | 120.0° |
| C32 | C33 | N35 | H33A | 118.6° | 119.9° |
| C33 | C32 | C34 | C36 | 178.6° | 175.0° |
| C32 | C33 | N35 | C51 | 66.3° | 180.0° |
| C33 | C32 | N42 | C43 | 90.8° | 85.1° |
| C32 | C33 | H33 | H33A | 118.6° | 120.0° |
| C33 | C32 | C34 | H34 | 61.4° | 65.0° |
| C33 | C32 | C34 | H34A | 62.3° | 55.0° |
| C32 | C33 | N35 | HN35 | 53.7° | 56.0° |
| C33 | C32 | N42 | HN42 | 89.2° | 95.0° |
| C34 | C32 | N42 | H32 | 118.7° | 120.0° |
| C34 | C32 | C33 | N35 | 59.7° | 174.9° |
| C32 | C34 | C36 | H34 | 120.0° | 120.0° |
| C32 | C34 | C36 | H34A | 116.3° | 120.0° |
| C32 | C34 | C36 | C37 | 179.6° | 175.0° |
| C32 | C34 | C36 | C40 | 59.5° | 64.9° |
| C34 | C32 | N42 | C43 | 145.2° | 155.0° |
| C34 | C32 | C33 | H33 | 60.3° | 65.1° |
| C34 | C32 | C33 | H33A | 178.3° | 55.0° |
| C32 | C34 | H34 | H34A | 116.8° | 120.0° |
| C32 | C34 | C36 | H36 | 60.0° | 55.1° |
| C34 | C32 | N42 | HN42 | 34.8° | 25.0° |
| N42 | C32 | C33 | N35 | 179.9° | 55.0° |
| N42 | C32 | C34 | C36 | 59.9° | 65.1° |
| C32 | N42 | C43 | HN42 | 180.0° | 180.0° |
| C32 | N42 | C43 | O44 | 0.0° | 5.2° |
| C32 | N42 | C43 | N45 | 179.7° | 174.8° |
| N42 | C32 | C33 | H33 | 59.9° | 175.0° |
| N42 | C32 | C33 | H33A | 61.6° | 64.9° |
| N42 | C32 | C34 | H34 | 60.1° | 55.0° |
| N42 | C32 | C34 | H34A | 176.2° | 175.0° |
| C33 | N35 | C51 | HN35 | 120.0° | 124.0° |
| N35 | C33 | C32 | H32 | 58.8° | 65.0° |
| N35 | C33 | H33 | H33A | 118.6° | 120.0° |
| C33 | N35 | C51 | H51 | 6.3° | 180.0° |
| C33 | N35 | C51 | H51A | 113.7° | 60.0° |
| C33 | N35 | C51 | H51B | 126.3° | 60.1° |
| C34 | C36 | C37 | C40 | 122.6° | 120.0° |
| C34 | C36 | C37 | H36 | 117.8° | 120.0° |
| C34 | C36 | C40 | H36 | 117.8° | 120.0° |
| C34 | C36 | C37 | C38 | 180.0° | 180.0° |
| C34 | C36 | C40 | C41 | 179.7° | 180.0° |
| C36 | C34 | C32 | H32 | 61.6° | 54.9° |
| C36 | C34 | H34 | H34A | 116.7° | 120.0° |
| C34 | C36 | C37 | H37 | 59.9° | 60.0° |
| C34 | C36 | C37 | H37A | 61.8° | 60.0° |
| C34 | C36 | C40 | H40 | 59.7° | 60.0° |
| C34 | C36 | C40 | H40A | 62.0° | 60.0° |
| C51 | N35 | C33 | H33 | 173.7° | 60.0° |
| C51 | N35 | C33 | H33A | 52.3° | 60.1° |
| N35 | C51 | H51 | H51A | 120.0° | 120.0° |
| N35 | C51 | H51 | H51B | 120.0° | 120.0° |
| N35 | C51 | H51A | H51B | 120.0° | 120.1° |
| C37 | C36 | C40 | H36 | 119.7° | 120.0° |
| C36 | C37 | C38 | H37 | 120.0° | 120.0° |
| C36 | C37 | C38 | H37A | 118.3° | 120.0° |
| C36 | C37 | C38 | C39 | 52.7° | 60.0° |
| C37 | C36 | C40 | C41 | 57.1° | 60.0° |
| C37 | C36 | C34 | H34 | 59.6° | 55.0° |
| C37 | C36 | C34 | H34A | 64.1° | 65.0° |
| C36 | C37 | H37 | H37A | 118.4° | 120.0° |
| C36 | C37 | C38 | H38 | 67.2° | 60.0° |
| C36 | C37 | C38 | H38A | 170.8° | 180.0° |
| C37 | C36 | C40 | H40 | 62.8° | 60.0° |
| C37 | C36 | C40 | H40A | 175.5° | 180.0° |
| C40 | C36 | C37 | C38 | 57.4° | 60.0° |
| C36 | C40 | C41 | C39 | 50.1° | 60.0° |
| C36 | C40 | C41 | H40 | 120.0° | 120.0° |
| C36 | C40 | C41 | H40A | 118.4° | 120.0° |
| C40 | C36 | C34 | H34 | 179.5° | 175.0° |
| C40 | C36 | C34 | H34A | 56.8° | 55.0° |
| C40 | C36 | C37 | H37 | 177.4° | 180.0° |
| C40 | C36 | C37 | H37A | 60.9° | 60.0° |
| C36 | C40 | H40 | H40A | 118.5° | 120.0° |
| C36 | C40 | C41 | H41 | 69.9° | 60.0° |
| C36 | C40 | C41 | H41A | 169.1° | 180.0° |
| C37 | C38 | C39 | H38 | 120.0° | 120.0° |
| C37 | C38 | C39 | H38A | 118.0° | 120.0° |
| C37 | C38 | C39 | C41 | 44.3° | 60.0° |
| C38 | C37 | C36 | H36 | 62.2° | 60.0° |
| C38 | C37 | H37 | H37A | 118.4° | 120.0° |
| C37 | C38 | H38 | H38A | 118.2° | 120.0° |
| C37 | C38 | C39 | H39 | 164.3° | 180.0° |
| C37 | C38 | C39 | H39A | 73.3° | 60.0° |
| C38 | C39 | C41 | H39 | 120.0° | 120.0° |
| C38 | C39 | C41 | H39A | 117.6° | 120.0° |
| C38 | C39 | C41 | C40 | 43.2° | 60.0° |
| C39 | C38 | C37 | H37 | 172.8° | 180.0° |
| C39 | C38 | C37 | H37A | 65.6° | 60.0° |
| C39 | C38 | H38 | H38A | 118.1° | 120.0° |
| C38 | C39 | H39 | H39A | 117.8° | 120.0° |
| C38 | C39 | C41 | H41 | 76.8° | 60.0° |
| C38 | C39 | C41 | H41A | 162.2° | 180.0° |
| C39 | C41 | C40 | H41 | 120.0° | 120.0° |
| C39 | C41 | C40 | H41A | 119.0° | 120.0° |
| C41 | C39 | C38 | H38 | 75.7° | 60.0° |
| C41 | C39 | C38 | H38A | 162.3° | 180.0° |
| C41 | C39 | H39 | H39A | 117.8° | 120.0° |
| C39 | C41 | C40 | H40 | 69.9° | 60.0° |
| C39 | C41 | C40 | H40A | 168.5° | 180.0° |
| C39 | C41 | H41 | H41A | 119.0° | 120.0° |
| C41 | C40 | C36 | H36 | 62.6° | 60.0° |
| C40 | C41 | C39 | H39 | 163.2° | 179.9° |
| C40 | C41 | C39 | H39A | 74.4° | 60.0° |
| C41 | C40 | H40 | H40A | 118.4° | 120.0° |
| C40 | C41 | H41 | H41A | 119.0° | 120.0° |
| N42 | C43 | O44 | N45 | 179.7° | 179.9° |
| N42 | C43 | N45 | C49 | 0.3° | 175.0° |
| N42 | C43 | N45 | C50 | 179.5° | 4.8° |
| C43 | N42 | C32 | H32 | 26.4° | 35.0° |
| O44 | C43 | N45 | C49 | 179.4° | 5.0° |
| O44 | C43 | N45 | C50 | 0.2° | 175.2° |
| O44 | C43 | N42 | HN42 | 180.0° | 174.8° |
| C43 | N45 | C49 | C50 | 179.3° | 179.8° |
| C43 | N45 | C50 | C46 | 100.2° | 126.4° |
| C43 | N45 | C49 | C48 | 101.3° | 126.4° |
| N45 | C43 | N42 | HN42 | 0.3° | 5.3° |
| C43 | N45 | C49 | H49 | 138.7° | 113.8° |
| C43 | N45 | C49 | H49A | 21.1° | 6.6° |
| C43 | N45 | C50 | H50 | 19.8° | 6.7° |
| C43 | N45 | C50 | H50A | 137.1° | 113.8° |
| C49 | N45 | C50 | C46 | 79.1° | 53.4° |
| N45 | C49 | C48 | C47 | 55.9° | 54.8° |
| N45 | C49 | C48 | H49 | 120.0° | 119.8° |
| N45 | C49 | C48 | H49A | 122.3° | 119.8° |
| N45 | C49 | C48 | H48 | 65.3° | 65.4° |
| N45 | C49 | H49 | H49A | 122.6° | 120.4° |
| C49 | N45 | C50 | H50 | 160.9° | 173.1° |
| C49 | N45 | C50 | H50A | 43.6° | 66.4° |
| N45 | C50 | C46 | C47 | 62.0° | 54.7° |
| N45 | C50 | C46 | H50 | 120.0° | 119.7° |
| N45 | C50 | C46 | H50A | 122.7° | 119.8° |
| C50 | N45 | C49 | C48 | 78.0° | 53.4° |
| N45 | C50 | C46 | H46 | 178.0° | 174.5° |
| N45 | C50 | C46 | H46A | 58.8° | 65.4° |
| C50 | N45 | C49 | H49 | 42.0° | 66.4° |
| C50 | N45 | C49 | H49A | 159.7° | 173.2° |
| N45 | C50 | H50 | H50A | 123.1° | 120.4° |
| C47 | C46 | C50 | H46 | 120.0° | 119.8° |
| C47 | C46 | C50 | H46A | 120.8° | 120.1° |
| C46 | C47 | C48 | H47 | 120.0° | 119.9° |
| C46 | C47 | C48 | H47A | 117.5° | 120.1° |
| C46 | C47 | C48 | C49 | 52.6° | 61.6° |
| C47 | C46 | H46 | H46A | 120.9° | 120.0° |
| C46 | C47 | H47 | H47A | 117.7° | 120.0° |
| C46 | C47 | C48 | H48 | 67.0° | 58.7° |
| C47 | C46 | C50 | H50 | 178.0° | 174.4° |
| C47 | C46 | C50 | H50A | 60.7° | 65.1° |
| C50 | C46 | C47 | C48 | 55.4° | 61.6° |
| C50 | C46 | H46 | H46A | 120.9° | 120.3° |
| C50 | C46 | C47 | H47 | 175.4° | 178.6° |
| C50 | C46 | C47 | H47A | 62.1° | 58.6° |
| C46 | C50 | H50 | H50A | 123.2° | 120.4° |
| C47 | C48 | C49 | H48 | 121.2° | 120.2° |
| C48 | C47 | C46 | H46 | 175.4° | 178.7° |
| C48 | C47 | C46 | H46A | 65.5° | 58.6° |
| C48 | C47 | H47 | H47A | 117.7° | 120.2° |
| C47 | C48 | C49 | H49 | 64.1° | 65.0° |
| C47 | C48 | C49 | H49A | 178.2° | 174.5° |
| C49 | C48 | C47 | H47 | 172.6° | 178.5° |
| C49 | C48 | C47 | H47A | 64.9° | 58.4° |
| C48 | C49 | H49 | H49A | 122.6° | 120.4° |
| H4 | C4 | C6 | H6 | 0.2° | 0.0° |
| H6 | C6 | C8 | H8 | 0.2° | 0.0° |
| H15 | C15 | C18 | H18 | 179.0° | 180.0° |
| H15 | C15 | C18 | H18A | 55.7° | 60.1° |
| H15A | C15 | C18 | H18 | 55.6° | 60.1° |
| H15A | C15 | C18 | H18A | 178.9° | 180.0° |
| H18 | C18 | C21 | H21 | 60.7° | 180.0° |
| H18 | C18 | C21 | H21A | 61.7° | 59.9° |
| H18A | C18 | C21 | H21 | 175.9° | 59.9° |
| H18A | C18 | C21 | H21A | 61.6° | NaN° |
| H21 | C21 | C24 | H24 | 55.8° | 180.0° |
| H21 | C21 | C24 | H24A | 64.4° | 60.0° |
| H21A | C21 | C24 | H24 | 178.3° | 60.0° |
| H21A | C21 | C24 | H24A | 58.1° | 180.0° |
| H28 | C28 | H28A | H28B | 119.9° | 120.0° |
| H32 | C32 | C33 | H33 | 178.7° | 55.0° |
| H32 | C32 | C33 | H33A | 59.8° | 175.1° |
| H32 | C32 | C34 | H34 | 178.4° | 175.0° |
| H32 | C32 | C34 | H34A | 54.7° | 65.0° |
| H32 | C32 | N42 | HN42 | 153.6° | 145.0° |
| H33 | C33 | N35 | HN35 | 66.3° | 176.0° |
| H33A | C33 | N35 | HN35 | 172.2° | 63.9° |
| H34 | C34 | C36 | H36 | 60.0° | 65.0° |
| H34A | C34 | C36 | H36 | 176.3° | 175.0° |
| HN35 | N35 | C51 | H51 | 126.3° | 56.1° |
| HN35 | N35 | C51 | H51A | 6.3° | 176.0° |
| HN35 | N35 | C51 | H51B | 113.7° | 63.9° |
| H36 | C36 | C37 | H37 | 57.8° | 60.0° |
| H36 | C36 | C37 | H37A | 179.5° | 180.0° |
| H36 | C36 | C40 | H40 | 177.4° | 180.0° |
| H36 | C36 | C40 | H40A | 55.8° | 60.0° |
| H37 | C37 | C38 | H38 | 52.8° | 60.0° |
| H37 | C37 | C38 | H38A | 69.2° | 60.0° |
| H37A | C37 | C38 | H38 | 174.5° | 180.0° |
| H37A | C37 | C38 | H38A | 52.5° | 60.0° |
| H38 | C38 | C39 | H39 | 44.3° | 60.0° |
| H38 | C38 | C39 | H39A | 166.7° | 180.0° |
| H38A | C38 | C39 | H39 | 77.7° | 60.0° |
| H38A | C38 | C39 | H39A | 44.7° | 60.0° |
| H39 | C39 | C41 | H41 | 43.2° | 60.0° |
| H39 | C39 | C41 | H41A | 77.8° | 60.0° |
| H39A | C39 | C41 | H41 | 165.6° | 180.0° |
| H39A | C39 | C41 | H41A | 44.6° | 60.0° |
| H40 | C40 | C41 | H41 | 170.1° | 180.0° |
| H40 | C40 | C41 | H41A | 49.1° | 60.0° |
| H40A | C40 | C41 | H41 | 48.5° | 60.0° |
| H40A | C40 | C41 | H41A | 72.5° | 60.0° |
| H46 | C46 | C47 | H47 | 64.6° | 58.9° |
| H46 | C46 | C47 | H47A | 57.9° | 61.1° |
| H46 | C46 | C50 | H50 | 58.0° | 65.8° |
| H46 | C46 | C50 | H50A | 59.3° | 54.7° |
| H46A | C46 | C47 | H47 | 54.5° | 61.2° |
| H46A | C46 | C47 | H47A | 177.1° | 178.9° |
| H46A | C46 | C50 | H50 | 61.2° | 54.3° |
| H46A | C46 | C50 | H50A | 178.4° | 174.8° |
| H47 | C47 | C48 | H48 | 53.0° | 61.2° |
| H47A | C47 | C48 | H48 | 175.5° | 178.7° |
| H48 | C48 | C49 | H49 | 174.7° | 174.9° |
| H48 | C48 | C49 | H49A | 57.0° | 54.4° |
| H51 | C51 | H51A | H51B | 120.0° | 120.0° |
