RX6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C3 | sing | 1.51Å | 1.47Å | |
| C1 | O3 | sing | 1.43Å | 1.42Å | |
| C1 | C48 | sing | 1.53Å | 1.52Å | |
| N1 | C9 | sing | 1.35Å | 1.30Å | |
| N1 | CT3 | sing | 1.47Å | 1.44Å | |
| O1 | C39 | sing | 1.43Å | 1.39Å | |
| O1 | C40 | sing | 1.43Å | 1.46Å | |
| C2 | O2 | sing | 1.45Å | 1.43Å | |
| O2 | C9 | sing | 1.35Å | 1.44Å | |
| C3 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| O3 | CT2 | sing | 1.43Å | 1.43Å | |
| C4 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | CL28 | sing | 1.74Å | 1.80Å | |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | O35 | doub | 1.21Å | 1.22Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C32 | C34 | sing | 1.53Å | 1.52Å | |
| C32 | N42 | sing | 1.46Å | 1.43Å | |
| C33 | N35 | sing | 1.47Å | 1.49Å | |
| C34 | C36 | sing | 1.53Å | 1.54Å | |
| N35 | C51 | sing | 1.47Å | 1.46Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C36 | C40 | sing | 1.53Å | 1.52Å | |
| C37 | C38 | sing | 1.53Å | 1.54Å | |
| C38 | C39 | sing | 1.53Å | 1.54Å | |
| N42 | C43 | sing | 1.35Å | 1.33Å | |
| C43 | O44 | doub | 1.22Å | 1.26Å | |
| C43 | N45 | sing | 1.35Å | 1.34Å | |
| N45 | C49 | sing | 1.47Å | 1.47Å | |
| N45 | C50 | sing | 1.47Å | 1.46Å | |
| C46 | C47 | sing | 1.53Å | 1.52Å | |
| C46 | C50 | sing | 1.53Å | 1.58Å | |
| C47 | C48 | sing | 1.53Å | 1.56Å | |
| C48 | C49 | sing | 1.53Å | 1.56Å | |
| CT2 | CT3 | sing | 1.53Å | 1.54Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| 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 | |
| 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 | |
| CT2 | HT2 | sing | 1.09Å | 1.10Å | |
| CT2 | HT2A | sing | 1.09Å | 1.10Å | |
| CT3 | HT3 | sing | 1.09Å | 1.10Å | |
| CT3 | HT3A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C1 | O3 | 102.4° | 109.5° |
| C3 | C1 | C48 | 112.2° | 109.4° |
| C1 | C3 | C4 | 121.5° | 120.0° |
| C1 | C3 | C5 | 117.9° | 120.0° |
| C3 | C1 | H1 | 111.9° | 109.4° |
| O3 | C1 | C48 | 107.9° | 109.5° |
| C1 | O3 | CT2 | 116.2° | 114.0° |
| O3 | C1 | H1 | 115.9° | 109.5° |
| C1 | C48 | C47 | 108.6° | 109.5° |
| C1 | C48 | C49 | 112.4° | 109.3° |
| C48 | C1 | H1 | 106.7° | 109.5° |
| C1 | C48 | H48 | 107.9° | 109.5° |
| C9 | N1 | CT3 | 117.4° | 120.0° |
| N1 | C9 | O2 | 117.2° | 120.0° |
| N1 | C9 | O35 | 122.3° | 120.0° |
| C9 | N1 | HN1 | 121.3° | 120.0° |
| N1 | CT3 | CT2 | 106.1° | 109.5° |
| CT3 | N1 | HN1 | 121.3° | 120.0° |
| N1 | CT3 | HT3 | 110.6° | 109.5° |
| N1 | CT3 | HT3A | 110.6° | 109.5° |
| C39 | O1 | C40 | 114.1° | 114.1° |
| O1 | C39 | C38 | 106.8° | 109.4° |
| O1 | C39 | H39 | 110.4° | 109.5° |
| O1 | C39 | H39A | 110.4° | 109.5° |
| O1 | C40 | C36 | 110.5° | 109.4° |
| O1 | C40 | H40 | 109.1° | 109.5° |
| O1 | C40 | H40A | 109.1° | 109.4° |
| C2 | O2 | C9 | 113.2° | 117.0° |
| O2 | C2 | H2 | 109.5° | 109.4° |
| O2 | C2 | H2A | 109.5° | 109.5° |
| O2 | C2 | H2B | 109.5° | 109.5° |
| O2 | C9 | O35 | 120.5° | 120.0° |
| C4 | C3 | C5 | 120.5° | 120.0° |
| C3 | C4 | C6 | 119.0° | 120.0° |
| C3 | C4 | H4 | 120.5° | 120.0° |
| C3 | C5 | C7 | 119.4° | 120.0° |
| C3 | C5 | H5 | 120.3° | 120.0° |
| O3 | CT2 | CT3 | 102.6° | 109.5° |
| O3 | CT2 | HT2 | 111.8° | 109.5° |
| O3 | CT2 | HT2A | 111.9° | 109.5° |
| C4 | C6 | C8 | 120.5° | 119.9° |
| C4 | C6 | CL28 | 121.2° | 120.0° |
| C6 | C4 | H4 | 120.5° | 120.0° |
| C5 | C7 | C8 | 120.6° | 120.0° |
| C7 | C5 | H5 | 120.3° | 120.0° |
| C5 | C7 | H7 | 119.7° | 119.9° |
| C8 | C6 | CL28 | 118.2° | 120.1° |
| C6 | C8 | C7 | 120.0° | 120.0° |
| C6 | C8 | H8 | 120.0° | 120.0° |
| C8 | C7 | H7 | 119.7° | 120.1° |
| C7 | C8 | H8 | 120.0° | 120.0° |
| C33 | C32 | C34 | 114.5° | 109.5° |
| C33 | C32 | N42 | 111.6° | 109.5° |
| C32 | C33 | N35 | 113.7° | 109.5° |
| C33 | C32 | H32 | 103.2° | 109.5° |
| C32 | C33 | H33 | 108.1° | 109.5° |
| C32 | C33 | H33A | 108.1° | 109.4° |
| C34 | C32 | N42 | 105.5° | 109.5° |
| C32 | C34 | C36 | 114.2° | 109.5° |
| C34 | C32 | H32 | 109.6° | 109.5° |
| C32 | C34 | H34 | 107.9° | 109.4° |
| C32 | C34 | H34A | 107.9° | 109.4° |
| C32 | N42 | C43 | 122.8° | 120.0° |
| N42 | C32 | H32 | 112.6° | 109.5° |
| C32 | N42 | HN42 | 118.6° | 120.0° |
| C33 | N35 | C51 | 117.2° | 111.0° |
| N35 | C33 | H33 | 108.1° | 109.5° |
| N35 | C33 | H33A | 108.1° | 109.5° |
| C33 | N35 | HN35 | 107.0° | 111.0° |
| C34 | C36 | C37 | 107.2° | 109.6° |
| C34 | C36 | C40 | 114.9° | 109.5° |
| C36 | C34 | H34 | 107.9° | 109.5° |
| C36 | C34 | H34A | 107.9° | 109.5° |
| C34 | C36 | H36 | 106.6° | 109.6° |
| C51 | N35 | HN35 | 106.9° | 111.0° |
| N35 | C51 | H51 | 109.5° | 109.5° |
| N35 | C51 | H51A | 109.4° | 109.5° |
| N35 | C51 | H51B | 109.4° | 109.5° |
| C37 | C36 | C40 | 106.8° | 109.2° |
| C36 | C37 | C38 | 110.4° | 109.1° |
| C37 | C36 | H36 | 114.7° | 109.5° |
| C36 | C37 | H37 | 109.1° | 109.5° |
| C36 | C37 | H37A | 109.2° | 109.5° |
| C40 | C36 | H36 | 107.0° | 109.5° |
| C36 | C40 | H40 | 109.1° | 109.5° |
| C36 | C40 | H40A | 109.1° | 109.5° |
| C37 | C38 | C39 | 116.4° | 109.2° |
| C38 | C37 | H37 | 109.1° | 109.6° |
| C38 | C37 | H37A | 109.1° | 109.5° |
| C37 | C38 | H38 | 107.2° | 109.5° |
| C37 | C38 | H38A | 107.2° | 109.6° |
| C39 | C38 | H38 | 107.2° | 109.5° |
| C39 | C38 | H38A | 107.2° | 109.5° |
| C38 | C39 | H39 | 110.3° | 109.4° |
| C38 | C39 | H39A | 110.4° | 109.5° |
| N42 | C43 | O44 | 121.4° | 120.0° |
| N42 | C43 | N45 | 116.1° | 120.0° |
| C43 | N42 | HN42 | 118.6° | 120.0° |
| O44 | C43 | N45 | 122.4° | 120.0° |
| C43 | N45 | C49 | 124.9° | 120.6° |
| C43 | N45 | C50 | 122.0° | 120.6° |
| C49 | N45 | C50 | 113.0° | 118.8° |
| N45 | C49 | C48 | 101.1° | 108.7° |
| N45 | C49 | H49 | 112.4° | 109.6° |
| N45 | C49 | H49A | 112.4° | 109.6° |
| N45 | C50 | C46 | 105.8° | 108.7° |
| N45 | C50 | H50 | 110.7° | 109.6° |
| N45 | C50 | H50A | 110.7° | 109.6° |
| C47 | C46 | C50 | 111.4° | 109.3° |
| C46 | C47 | C48 | 114.1° | 109.4° |
| C47 | C46 | H46 | 108.8° | 109.5° |
| C47 | C46 | H46A | 108.8° | 109.5° |
| C46 | C47 | H47 | 107.9° | 109.5° |
| C46 | C47 | H47A | 107.9° | 109.5° |
| C50 | C46 | H46 | 108.8° | 109.3° |
| C50 | C46 | H46A | 108.8° | 109.7° |
| C46 | C50 | H50 | 110.7° | 109.6° |
| C46 | C50 | H50A | 110.7° | 109.6° |
| C47 | C48 | C49 | 108.7° | 109.4° |
| C48 | C47 | H47 | 108.0° | 109.3° |
| C48 | C47 | H47A | 108.0° | 109.7° |
| C47 | C48 | H48 | 111.6° | 109.5° |
| C49 | C48 | H48 | 107.8° | 109.7° |
| C48 | C49 | H49 | 112.4° | 109.5° |
| C48 | C49 | H49A | 112.3° | 109.6° |
| CT3 | CT2 | HT2 | 111.9° | 109.5° |
| CT3 | CT2 | HT2A | 111.8° | 109.4° |
| CT2 | CT3 | HT3 | 110.6° | 109.5° |
| CT2 | CT3 | HT3A | 110.6° | 109.5° |
| H2 | C2 | H2A | 109.5° | 109.5° |
| H2 | C2 | H2B | 109.4° | 109.5° |
| H2A | C2 | H2B | 109.4° | 109.5° |
| H33 | C33 | H33A | 110.8° | 109.5° |
| H34 | C34 | H34A | 111.0° | 109.5° |
| H37 | C37 | H37A | 109.8° | 109.6° |
| H38 | C38 | H38A | 111.7° | 109.6° |
| H39 | C39 | H39A | 108.6° | 109.5° |
| H40 | C40 | H40A | 109.8° | 109.5° |
| H46 | C46 | H46A | 110.1° | 109.5° |
| H47 | C47 | H47A | 111.0° | 109.4° |
| H49 | C49 | H49A | 106.4° | 109.7° |
| H50 | C50 | H50A | 108.2° | 109.8° |
| H51 | C51 | H51A | 109.5° | 109.5° |
| H51 | C51 | H51B | 109.4° | 109.5° |
| H51A | C51 | H51B | 109.5° | 109.4° |
| HT2 | CT2 | HT2A | 107.0° | 109.5° |
| HT3 | CT3 | HT3A | 108.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C1 | O3 | C48 | 118.5° | 120.0° |
| C3 | C1 | O3 | H1 | 122.0° | 120.0° |
| C3 | C1 | C48 | H1 | 122.9° | 119.9° |
| C1 | C3 | C4 | C5 | 177.2° | 179.7° |
| C3 | C1 | O3 | CT2 | 86.8° | 90.0° |
| C1 | C3 | C4 | C6 | 176.9° | 180.0° |
| C1 | C3 | C5 | C7 | 177.6° | 180.0° |
| C3 | C1 | C48 | C47 | 57.7° | 175.0° |
| C3 | C1 | C48 | C49 | 177.9° | 65.3° |
| C1 | C3 | C4 | H4 | 3.1° | 0.1° |
| C1 | C3 | C5 | H5 | 2.4° | 0.0° |
| C3 | C1 | C48 | H48 | 63.4° | 54.9° |
| O3 | C1 | C48 | H1 | 125.1° | 120.0° |
| O3 | C1 | C3 | C4 | 49.5° | 140.0° |
| O3 | C1 | C3 | C5 | 127.7° | 39.7° |
| O3 | C1 | C48 | C47 | 169.7° | 65.0° |
| O3 | C1 | C48 | C49 | 70.1° | 54.8° |
| C1 | O3 | CT2 | CT3 | 164.4° | 180.0° |
| O3 | C1 | C48 | H48 | 48.6° | 174.9° |
| C1 | O3 | CT2 | HT2 | 75.6° | 60.0° |
| C1 | O3 | CT2 | HT2A | 44.4° | 60.1° |
| C48 | C1 | C3 | C4 | 65.9° | 100.0° |
| C48 | C1 | C3 | C5 | 116.9° | 80.3° |
| C48 | C1 | O3 | CT2 | 154.7° | 150.1° |
| C1 | C48 | C49 | N45 | 177.1° | 174.5° |
| C1 | C48 | C47 | C46 | 175.1° | 178.7° |
| C1 | C48 | C47 | C49 | 122.5° | 119.7° |
| C1 | C48 | C47 | H48 | 118.8° | 120.1° |
| C1 | C48 | C49 | H48 | 118.7° | 120.0° |
| C1 | C48 | C47 | H47 | 65.0° | 58.8° |
| C1 | C48 | C47 | H47A | 55.1° | 61.2° |
| C1 | C48 | C49 | H49 | 62.9° | 54.8° |
| C1 | C48 | C49 | H49A | 57.1° | 65.7° |
| C9 | N1 | CT3 | HN1 | 180.0° | 180.0° |
| N1 | C9 | O2 | C2 | 168.3° | 180.0° |
| N1 | C9 | O2 | O35 | 179.2° | 179.9° |
| C9 | N1 | CT3 | CT2 | 102.8° | 180.0° |
| C9 | N1 | CT3 | HT3 | 17.2° | 60.0° |
| C9 | N1 | CT3 | HT3A | 137.2° | 60.0° |
| CT3 | N1 | C9 | O2 | 178.9° | 180.0° |
| N1 | CT3 | CT2 | O3 | 81.7° | 65.0° |
| CT3 | N1 | C9 | O35 | 0.3° | 0.0° |
| N1 | CT3 | CT2 | HT3 | 120.0° | 120.0° |
| N1 | CT3 | CT2 | HT3A | 120.0° | 120.0° |
| N1 | CT3 | CT2 | HT2 | 158.3° | 55.0° |
| N1 | CT3 | CT2 | HT2A | 38.3° | 175.0° |
| N1 | CT3 | HT3 | HT3A | 121.4° | 120.0° |
| C39 | O1 | C40 | C36 | 69.1° | 61.1° |
| O1 | C39 | C38 | C37 | 49.0° | 57.6° |
| O1 | C39 | C38 | H39 | 120.0° | 120.0° |
| O1 | C39 | C38 | H39A | 120.0° | 120.0° |
| O1 | C39 | C38 | H38 | 71.0° | 62.3° |
| O1 | C39 | C38 | H38A | 169.0° | 177.5° |
| O1 | C39 | H39 | H39A | 121.1° | 120.1° |
| C39 | O1 | C40 | H40 | 170.9° | 178.9° |
| C39 | O1 | C40 | H40A | 50.9° | 58.8° |
| O1 | C40 | C36 | C34 | 179.4° | 177.5° |
| O1 | C40 | C36 | C37 | 60.7° | 57.5° |
| O1 | C40 | C36 | H40 | 120.0° | 120.0° |
| O1 | C40 | C36 | H40A | 120.0° | 119.9° |
| C40 | O1 | C39 | C38 | 58.5° | 61.1° |
| O1 | C40 | C36 | H36 | 62.6° | 62.3° |
| C40 | O1 | C39 | H39 | 61.5° | 58.8° |
| C40 | O1 | C39 | H39A | 178.5° | 178.9° |
| O1 | C40 | H40 | H40A | 119.6° | 120.0° |
| C2 | O2 | C9 | O35 | 10.9° | 0.1° |
| O2 | C2 | H2 | H2A | 120.0° | 120.0° |
| O2 | C2 | H2 | H2B | 120.0° | 120.0° |
| O2 | C2 | H2A | H2B | 120.0° | 120.0° |
| O2 | C9 | N1 | HN1 | 1.1° | 0.0° |
| C9 | O2 | C2 | H2 | 180.0° | 60.1° |
| C9 | O2 | C2 | H2A | 60.0° | 180.0° |
| C9 | O2 | C2 | H2B | 60.0° | 60.0° |
| C3 | C4 | C6 | H4 | 180.0° | 179.9° |
| C4 | C3 | C5 | C7 | 0.4° | 0.3° |
| C3 | C4 | C6 | C8 | 1.2° | 0.1° |
| C3 | C4 | C6 | CL28 | 177.6° | 180.0° |
| C4 | C3 | C1 | H1 | 174.2° | 19.9° |
| C4 | C3 | C5 | H5 | 179.7° | 179.7° |
| C5 | C3 | C4 | C6 | 0.3° | 0.3° |
| C3 | C5 | C7 | H5 | 180.0° | 180.0° |
| C3 | C5 | C7 | C8 | 0.1° | 0.0° |
| C5 | C3 | C1 | H1 | 3.0° | 159.7° |
| C5 | C3 | C4 | H4 | 179.7° | 179.8° |
| C3 | C5 | C7 | H7 | 179.9° | 179.9° |
| O3 | CT2 | CT3 | HT2 | 120.0° | 120.0° |
| O3 | CT2 | CT3 | HT2A | 120.0° | 120.0° |
| CT2 | O3 | C1 | H1 | 35.2° | 30.0° |
| O3 | CT2 | HT2 | HT2A | 122.8° | 120.0° |
| O3 | CT2 | CT3 | HT3 | 158.3° | 55.0° |
| O3 | CT2 | CT3 | HT3A | 38.3° | 174.9° |
| C4 | C6 | C8 | CL28 | 176.6° | 179.9° |
| C4 | C6 | C8 | C7 | 1.4° | 0.2° |
| C4 | C6 | C8 | H8 | 178.6° | 180.0° |
| C5 | C7 | C8 | C6 | 0.8° | 0.2° |
| C5 | C7 | C8 | H7 | 180.0° | 179.9° |
| C5 | C7 | C8 | H8 | 179.2° | 180.0° |
| C6 | C8 | C7 | H8 | 180.0° | 179.8° |
| C8 | C6 | C4 | H4 | 178.8° | 180.0° |
| C6 | C8 | C7 | H7 | 179.3° | 179.7° |
| CL28 | C6 | C8 | C7 | 178.0° | 179.7° |
| CL28 | C6 | C4 | H4 | 2.4° | 0.1° |
| CL28 | C6 | C8 | H8 | 2.0° | 0.1° |
| C8 | C7 | C5 | H5 | 179.9° | 180.0° |
| O35 | C9 | N1 | HN1 | 179.7° | 180.0° |
| C33 | C32 | C34 | N42 | 123.2° | 120.0° |
| C33 | C32 | C34 | H32 | 115.4° | 120.0° |
| C33 | C32 | N42 | H32 | 115.5° | 120.0° |
| C32 | C33 | N35 | H33 | 120.0° | 120.0° |
| C32 | C33 | N35 | H33A | 120.0° | 119.9° |
| C33 | C32 | C34 | C36 | 172.3° | 175.0° |
| C32 | C33 | N35 | C51 | 73.2° | 180.0° |
| C33 | C32 | N42 | C43 | 86.7° | 85.0° |
| C32 | C33 | H33 | H33A | 118.3° | 119.9° |
| C33 | C32 | C34 | H34 | 52.3° | 65.0° |
| C33 | C32 | C34 | H34A | 67.7° | 55.0° |
| C32 | C33 | N35 | HN35 | 46.8° | 56.0° |
| C33 | C32 | N42 | HN42 | 93.3° | 95.1° |
| C34 | C32 | N42 | H32 | 119.5° | 120.0° |
| C34 | C32 | C33 | N35 | 42.2° | 175.0° |
| C32 | C34 | C36 | H34 | 120.0° | 120.0° |
| C32 | C34 | C36 | H34A | 120.0° | 119.9° |
| C32 | C34 | C36 | C37 | 175.1° | 175.0° |
| C32 | C34 | C36 | C40 | 56.6° | 65.3° |
| C34 | C32 | N42 | C43 | 148.3° | 155.0° |
| C34 | C32 | C33 | H33 | 77.8° | 65.0° |
| C34 | C32 | C33 | H33A | 162.2° | 55.0° |
| C32 | C34 | H34 | H34A | 118.1° | 120.0° |
| C32 | C34 | C36 | H36 | 61.7° | 54.9° |
| C34 | C32 | N42 | HN42 | 31.7° | 25.0° |
| N42 | C32 | C33 | N35 | 162.0° | 55.0° |
| N42 | C32 | C34 | C36 | 49.2° | 65.0° |
| C32 | N42 | C43 | HN42 | 180.0° | 179.9° |
| C32 | N42 | C43 | O44 | 1.0° | 5.1° |
| C32 | N42 | C43 | N45 | 178.0° | 174.8° |
| N42 | C32 | C33 | H33 | 42.0° | 175.0° |
| N42 | C32 | C33 | H33A | 78.0° | 65.0° |
| N42 | C32 | C34 | H34 | 70.8° | 55.0° |
| N42 | C32 | C34 | H34A | 169.2° | 175.0° |
| C33 | N35 | C51 | HN35 | 120.0° | 124.0° |
| N35 | C33 | C32 | H32 | 76.8° | 65.0° |
| N35 | C33 | H33 | H33A | 118.3° | 120.1° |
| C33 | N35 | C51 | H51 | 180.0° | 60.0° |
| C33 | N35 | C51 | H51A | 60.0° | 179.9° |
| C33 | N35 | C51 | H51B | 60.0° | 60.0° |
| C34 | C36 | C37 | C40 | 123.6° | 119.9° |
| C34 | C36 | C37 | H36 | 118.1° | 120.1° |
| C34 | C36 | C40 | H36 | 118.1° | 120.2° |
| C34 | C36 | C37 | C38 | 174.1° | 176.9° |
| C36 | C34 | C32 | H32 | 72.3° | 55.0° |
| C36 | C34 | H34 | H34A | 118.1° | 120.0° |
| C34 | C36 | C37 | H37 | 65.9° | 63.2° |
| C34 | C36 | C37 | H37A | 54.2° | 57.0° |
| C34 | C36 | C40 | H40 | 60.6° | 62.5° |
| C34 | C36 | C40 | H40A | 59.4° | 57.6° |
| C51 | N35 | C33 | H33 | 166.8° | 60.0° |
| C51 | N35 | C33 | H33A | 46.8° | 60.1° |
| N35 | C51 | H51 | H51A | 120.0° | 120.0° |
| N35 | C51 | H51 | H51B | 120.0° | 120.0° |
| N35 | C51 | H51A | H51B | 120.0° | 120.0° |
| C37 | C36 | C40 | H36 | 123.2° | 119.9° |
| C36 | C37 | C38 | H37 | 120.0° | 119.9° |
| C36 | C37 | C38 | H37A | 120.0° | 119.9° |
| C36 | C37 | C38 | C39 | 47.5° | 56.9° |
| C37 | C36 | C34 | H34 | 64.9° | 55.0° |
| C37 | C36 | C34 | H34A | 55.1° | 65.1° |
| C36 | C37 | H37 | H37A | 119.6° | 120.2° |
| C36 | C37 | C38 | H38 | 72.4° | 62.9° |
| C36 | C37 | C38 | H38A | 167.5° | 176.9° |
| C37 | C36 | C40 | H40 | 179.3° | 177.5° |
| C37 | C36 | C40 | H40A | 59.3° | 62.4° |
| C40 | C36 | C37 | C38 | 50.5° | 56.9° |
| C40 | C36 | C34 | H34 | 176.6° | 174.8° |
| C40 | C36 | C34 | H34A | 63.4° | 54.7° |
| C40 | C36 | C37 | H37 | 170.5° | 176.9° |
| C40 | C36 | C37 | H37A | 69.5° | 62.9° |
| C36 | C40 | H40 | H40A | 119.6° | 120.1° |
| C37 | C38 | C39 | H38 | 120.0° | 119.9° |
| C37 | C38 | C39 | H38A | 120.0° | 120.0° |
| C38 | C37 | C36 | H36 | 67.8° | 63.0° |
| C38 | C37 | H37 | H37A | 119.6° | 120.2° |
| C37 | C38 | H38 | H38A | 117.2° | 120.2° |
| C37 | C38 | C39 | H39 | 71.0° | 62.4° |
| C37 | C38 | C39 | H39A | 169.0° | 177.5° |
| C39 | C38 | C37 | H37 | 167.5° | 176.8° |
| C39 | C38 | C37 | H37A | 72.5° | 62.9° |
| C39 | C38 | H38 | H38A | 117.1° | 120.2° |
| C38 | C39 | H39 | H39A | 121.1° | 120.0° |
| N42 | C43 | O44 | N45 | 178.9° | 179.9° |
| N42 | C43 | N45 | C49 | 2.7° | 174.9° |
| N42 | C43 | N45 | C50 | 178.2° | 4.8° |
| C43 | N42 | C32 | H32 | 28.8° | 35.0° |
| O44 | C43 | N45 | C49 | 176.2° | 5.0° |
| O44 | C43 | N45 | C50 | 0.7° | 175.3° |
| O44 | C43 | N42 | HN42 | 179.0° | 174.8° |
| C43 | N45 | C49 | C50 | 175.9° | 179.7° |
| C43 | N45 | C50 | C46 | 105.9° | 126.4° |
| C43 | N45 | C49 | C48 | 98.8° | 126.4° |
| N45 | C43 | N42 | HN42 | 2.0° | 5.3° |
| C43 | N45 | C49 | H49 | 141.2° | 113.9° |
| C43 | N45 | C49 | H49A | 21.2° | 6.6° |
| C43 | N45 | C50 | H50 | 14.1° | 6.6° |
| C43 | N45 | C50 | H50A | 134.1° | 113.9° |
| C49 | N45 | C50 | C46 | 70.1° | 53.4° |
| N45 | C49 | C48 | C47 | 62.7° | 54.7° |
| N45 | C49 | C48 | H49 | 120.0° | 119.8° |
| N45 | C49 | C48 | H49A | 120.0° | 119.8° |
| N45 | C49 | C48 | H48 | 58.4° | 65.5° |
| N45 | C49 | H49 | H49A | 123.4° | 120.4° |
| C49 | N45 | C50 | H50 | 169.9° | 173.1° |
| C49 | N45 | C50 | H50A | 49.9° | 66.4° |
| N45 | C50 | C46 | C47 | 49.4° | 54.6° |
| N45 | C50 | C46 | H50 | 120.0° | 119.8° |
| N45 | C50 | C46 | H50A | 120.0° | 119.7° |
| C50 | N45 | C49 | C48 | 77.1° | 53.3° |
| N45 | C50 | C46 | H46 | 169.4° | 174.5° |
| N45 | C50 | C46 | H46A | 70.6° | 65.4° |
| C50 | N45 | C49 | H49 | 43.0° | 66.4° |
| C50 | N45 | C49 | H49A | 163.0° | 173.1° |
| N45 | C50 | H50 | H50A | 121.5° | 120.4° |
| C47 | C46 | C50 | H46 | 120.0° | 119.9° |
| C47 | C46 | C50 | H46A | 120.0° | 120.1° |
| C46 | C47 | C48 | H47 | 120.0° | 119.9° |
| C46 | C47 | C48 | H47A | 120.0° | 120.1° |
| C46 | C47 | C48 | C49 | 52.6° | 61.6° |
| C47 | C46 | H46 | H46A | 119.2° | 120.1° |
| C46 | C47 | H47 | H47A | 118.1° | 120.0° |
| C46 | C47 | C48 | H48 | 66.1° | 58.6° |
| C47 | C46 | C50 | H50 | 169.4° | 174.4° |
| C47 | C46 | C50 | H50A | 70.6° | 65.1° |
| C50 | C46 | C47 | C48 | 44.8° | 61.6° |
| C50 | C46 | H46 | H46A | 119.2° | 120.2° |
| C50 | C46 | C47 | H47 | 164.8° | 178.6° |
| C50 | C46 | C47 | H47A | 75.2° | 58.7° |
| C46 | C50 | H50 | H50A | 121.5° | 120.4° |
| C47 | C48 | C49 | H48 | 121.1° | 120.1° |
| C47 | C48 | C1 | H1 | 65.2° | 55.0° |
| C48 | C47 | C46 | H46 | 164.8° | 178.7° |
| C48 | C47 | C46 | H46A | 75.2° | 58.6° |
| C48 | C47 | H47 | H47A | 118.1° | 120.2° |
| C47 | C48 | C49 | H49 | 57.3° | 65.1° |
| C47 | C48 | C49 | H49A | 177.3° | 174.5° |
| C49 | C48 | C1 | H1 | 55.0° | 174.8° |
| C49 | C48 | C47 | H47 | 172.6° | 178.5° |
| C49 | C48 | C47 | H47A | 67.4° | 58.5° |
| C48 | C49 | H49 | H49A | 123.4° | 120.3° |
| CT2 | CT3 | N1 | HN1 | 77.2° | 0.0° |
| CT3 | CT2 | HT2 | HT2A | 122.8° | 119.9° |
| CT2 | CT3 | HT3 | HT3A | 121.4° | 120.0° |
| H1 | C1 | C48 | H48 | 173.7° | 65.1° |
| HN1 | N1 | CT3 | HT3 | 162.8° | 120.0° |
| HN1 | N1 | CT3 | HT3A | 42.8° | 120.0° |
| H2 | C2 | H2A | H2B | 120.0° | 120.0° |
| H5 | C5 | C7 | H7 | 0.1° | 0.0° |
| H7 | C7 | C8 | H8 | 0.7° | 0.1° |
| H32 | C32 | C33 | H33 | 163.2° | 55.0° |
| H32 | C32 | C33 | H33A | 43.2° | 175.0° |
| H32 | C32 | C34 | H34 | 167.7° | 175.0° |
| H32 | C32 | C34 | H34A | 47.7° | 65.0° |
| H32 | C32 | N42 | HN42 | 151.2° | 144.9° |
| H33 | C33 | N35 | HN35 | 73.2° | 176.0° |
| H33A | C33 | N35 | HN35 | 166.8° | 63.9° |
| H34 | C34 | C36 | H36 | 58.3° | 65.1° |
| H34A | C34 | C36 | H36 | 178.3° | 174.8° |
| HN35 | N35 | C51 | H51 | 60.0° | 63.9° |
| HN35 | N35 | C51 | H51A | 180.0° | 56.1° |
| HN35 | N35 | C51 | H51B | 60.0° | 176.1° |
| H36 | C36 | C37 | H37 | 52.2° | 57.0° |
| H36 | C36 | C37 | H37A | 172.2° | 177.2° |
| H36 | C36 | C40 | H40 | 57.4° | 57.7° |
| H36 | C36 | C40 | H40A | 177.4° | 177.8° |
| H37 | C37 | C38 | H38 | 47.5° | 57.0° |
| H37 | C37 | C38 | H38A | 72.5° | 63.2° |
| H37A | C37 | C38 | H38 | 167.5° | 177.2° |
| H37A | C37 | C38 | H38A | 47.5° | 57.0° |
| H38 | C38 | C39 | H39 | 169.0° | 177.7° |
| H38 | C38 | C39 | H39A | 49.0° | 57.7° |
| H38A | C38 | C39 | H39 | 49.0° | 57.6° |
| H38A | C38 | C39 | H39A | 71.0° | 62.5° |
| H46 | C46 | C47 | H47 | 75.2° | 58.9° |
| H46 | C46 | C47 | H47A | 44.8° | 61.0° |
| H46 | C46 | C50 | H50 | 70.6° | 65.8° |
| H46 | C46 | C50 | H50A | 49.4° | 54.7° |
| H46A | C46 | C47 | H47 | 44.8° | 61.2° |
| H46A | C46 | C47 | H47A | 164.8° | 178.8° |
| H46A | C46 | C50 | H50 | 49.4° | 54.3° |
| H46A | C46 | C50 | H50A | 169.4° | 174.8° |
| H47 | C47 | C48 | H48 | 53.8° | 61.2° |
| H47A | C47 | C48 | H48 | 173.9° | 178.7° |
| H48 | C48 | C49 | H49 | 178.4° | 174.8° |
| H48 | C48 | C49 | H49A | 61.6° | 54.4° |
| H51 | C51 | H51A | H51B | 120.0° | 120.0° |
| HT2 | CT2 | CT3 | HT3 | 38.3° | 175.0° |
| HT2 | CT2 | CT3 | HT3A | 81.7° | 65.0° |
| HT2A | CT2 | CT3 | HT3 | 81.7° | 65.0° |
| HT2A | CT2 | CT3 | HT3A | 158.3° | 55.0° |
