44I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C14 | sing | 1.53Å | 1.52Å | |
| C17 | C19 | sing | 1.53Å | 1.52Å | |
| C17 | C31 | sing | 1.53Å | 1.53Å | |
| C14 | N13 | sing | 1.47Å | 1.47Å | |
| C19 | C22 | sing | 1.53Å | 1.52Å | |
| C31 | N30 | sing | 1.47Å | 1.47Å | |
| C07 | C10 | sing | 1.53Å | 1.52Å | |
| C07 | N05 | sing | 1.47Å | 1.46Å | |
| C01 | N05 | sing | 1.47Å | 1.47Å | |
| N13 | C10 | sing | 1.47Å | 1.49Å | |
| N13 | C24 | sing | 1.47Å | 1.48Å | |
| C22 | C24 | sing | 1.53Å | 1.54Å | |
| C22 | C27 | sing | 1.53Å | 1.52Å | |
| N30 | C27 | sing | 1.47Å | 1.47Å | |
| N30 | C34 | sing | 1.35Å | 1.35Å | |
| O35 | C34 | doub | 1.21Å | 1.22Å | |
| C34 | C36 | sing | 1.51Å | 1.54Å | |
| C36 | C38 | sing | 1.53Å | 1.53Å | |
| C36 | N42 | sing | 1.46Å | 1.47Å | |
| N42 | C73 | sing | 1.34Å | 1.36Å | |
| N42 | C43 | sing | 1.47Å | 1.48Å | |
| O74 | C73 | doub | 1.21Å | 1.22Å | |
| C73 | C49 | sing | 1.51Å | 1.53Å | |
| C43 | C46 | sing | 1.54Å | 1.52Å | |
| C46 | C49 | sing | 1.55Å | 1.54Å | |
| N51 | C49 | sing | 1.46Å | 1.47Å | |
| N51 | S53 | sing | 1.66Å | 1.62Å | |
| O55 | S53 | doub | 1.42Å | 1.43Å | |
| C57 | C59 | doub | 1.36Å | 1.37Å | Aromatic |
| C57 | C56 | sing | 1.39Å | 1.40Å | Aromatic |
| C59 | C61 | sing | 1.41Å | 1.42Å | Aromatic |
| S53 | C56 | sing | 1.76Å | 1.77Å | |
| S53 | O54 | doub | 1.42Å | 1.43Å | |
| C56 | C71 | doub | 1.36Å | 1.37Å | Aromatic |
| C61 | C62 | doub | 1.40Å | 1.42Å | Aromatic |
| C61 | C70 | sing | 1.42Å | 1.42Å | Aromatic |
| C62 | C64 | sing | 1.36Å | 1.37Å | Aromatic |
| C71 | C70 | sing | 1.41Å | 1.42Å | Aromatic |
| C70 | C68 | doub | 1.41Å | 1.42Å | Aromatic |
| C64 | CL | sing | 1.74Å | 1.75Å | |
| C64 | C66 | doub | 1.39Å | 1.39Å | Aromatic |
| C68 | C66 | sing | 1.36Å | 1.36Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| N05 | H4 | sing | 1.01Å | 1.00Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å | |
| C31 | H22 | sing | 1.09Å | 1.10Å | |
| C36 | H23 | sing | 1.09Å | 1.10Å | |
| C38 | H24 | sing | 1.09Å | 1.10Å | |
| C38 | H25 | sing | 1.09Å | 1.10Å | |
| C38 | H26 | sing | 1.09Å | 1.10Å | |
| C43 | H27 | sing | 1.09Å | 1.10Å | |
| C43 | H28 | sing | 1.09Å | 1.10Å | |
| C46 | H29 | sing | 1.09Å | 1.10Å | |
| C46 | H30 | sing | 1.09Å | 1.10Å | |
| C49 | H31 | sing | 1.09Å | 1.10Å | |
| N51 | H32 | sing | 0.97Å | 1.00Å | |
| C57 | H33 | sing | 1.08Å | 1.08Å | |
| C59 | H34 | sing | 1.08Å | 1.08Å | |
| C62 | H35 | sing | 1.08Å | 1.08Å | |
| C66 | H36 | sing | 1.08Å | 1.08Å | |
| C68 | H37 | sing | 1.08Å | 1.08Å | |
| C71 | H38 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C17 | C19 | 109.1° | 109.3° |
| C14 | C17 | C31 | 112.6° | 109.3° |
| C17 | C14 | N13 | 110.9° | 109.6° |
| C17 | C14 | H11 | 109.1° | 109.4° |
| C17 | C14 | H12 | 109.1° | 109.4° |
| C14 | C17 | H13 | 108.4° | 109.6° |
| C19 | C17 | C31 | 110.0° | 109.1° |
| C17 | C19 | C22 | 107.7° | 109.2° |
| C19 | C17 | H13 | 108.4° | 109.6° |
| C17 | C19 | H14 | 109.9° | 109.6° |
| C17 | C19 | H15 | 109.9° | 109.5° |
| C17 | C31 | N30 | 111.6° | 108.8° |
| C31 | C17 | H13 | 108.3° | 109.9° |
| C17 | C31 | H21 | 108.9° | 109.6° |
| C17 | C31 | H22 | 108.9° | 109.6° |
| C14 | N13 | C10 | 111.1° | 111.0° |
| C14 | N13 | C24 | 113.2° | 111.1° |
| N13 | C14 | H11 | 109.1° | 109.5° |
| N13 | C14 | H12 | 109.1° | 109.4° |
| C19 | C22 | C24 | 109.3° | 109.3° |
| C19 | C22 | C27 | 108.9° | 109.1° |
| C22 | C19 | H14 | 109.9° | 109.5° |
| C22 | C19 | H15 | 109.9° | 109.5° |
| C19 | C22 | H16 | 108.7° | 109.6° |
| C31 | N30 | C27 | 115.1° | 118.8° |
| C31 | N30 | C34 | 123.1° | 120.6° |
| N30 | C31 | H21 | 109.0° | 109.6° |
| N30 | C31 | H22 | 108.9° | 109.6° |
| C10 | C07 | N05 | 111.2° | 109.5° |
| C07 | C10 | N13 | 113.7° | 109.5° |
| C10 | C07 | H6 | 109.0° | 109.4° |
| C10 | C07 | H7 | 109.1° | 109.5° |
| C07 | C10 | H8 | 108.4° | 109.4° |
| C07 | C10 | H9 | 108.4° | 109.5° |
| C07 | N05 | C01 | 110.7° | 111.0° |
| C07 | N05 | H4 | 109.2° | 111.0° |
| N05 | C07 | H6 | 109.0° | 109.5° |
| N05 | C07 | H7 | 109.0° | 109.5° |
| N05 | C01 | H1 | 109.5° | 109.5° |
| N05 | C01 | H2 | 109.4° | 109.5° |
| N05 | C01 | H3 | 109.5° | 109.4° |
| C01 | N05 | H4 | 109.2° | 111.0° |
| C10 | N13 | C24 | 112.0° | 111.0° |
| N13 | C10 | H8 | 108.4° | 109.5° |
| N13 | C10 | H9 | 108.4° | 109.5° |
| N13 | C24 | C22 | 112.2° | 109.5° |
| N13 | C24 | H17 | 108.8° | 109.4° |
| N13 | C24 | H18 | 108.8° | 109.4° |
| C24 | C22 | C27 | 112.8° | 109.4° |
| C24 | C22 | H16 | 108.5° | 109.5° |
| C22 | C24 | H17 | 108.8° | 109.5° |
| C22 | C24 | H18 | 108.8° | 109.5° |
| C22 | C27 | N30 | 110.9° | 108.7° |
| C27 | C22 | H16 | 108.6° | 109.9° |
| C22 | C27 | H19 | 109.1° | 109.6° |
| C22 | C27 | H20 | 109.1° | 109.6° |
| C27 | N30 | C34 | 121.8° | 120.6° |
| N30 | C27 | H19 | 109.1° | 109.6° |
| N30 | C27 | H20 | 109.1° | 109.7° |
| N30 | C34 | O35 | 121.6° | 120.0° |
| N30 | C34 | C36 | 119.4° | 120.0° |
| O35 | C34 | C36 | 119.0° | 120.0° |
| C34 | C36 | C38 | 111.7° | 109.5° |
| C34 | C36 | N42 | 109.5° | 109.5° |
| C34 | C36 | H23 | 107.4° | 109.5° |
| C38 | C36 | N42 | 112.5° | 109.5° |
| C38 | C36 | H23 | 107.5° | 109.4° |
| C36 | C38 | H24 | 109.5° | 109.5° |
| C36 | C38 | H25 | 109.4° | 109.5° |
| C36 | C38 | H26 | 109.5° | 109.4° |
| C36 | N42 | C73 | 123.6° | 124.3° |
| C36 | N42 | C43 | 123.9° | 124.4° |
| N42 | C36 | H23 | 108.2° | 109.5° |
| C73 | N42 | C43 | 112.5° | 111.3° |
| N42 | C73 | O74 | 125.7° | 125.0° |
| N42 | C73 | C49 | 107.4° | 110.1° |
| N42 | C43 | C46 | 103.3° | 105.5° |
| N42 | C43 | H27 | 111.0° | 110.3° |
| N42 | C43 | H28 | 111.0° | 110.3° |
| O74 | C73 | C49 | 126.9° | 124.9° |
| C73 | C49 | C46 | 103.4° | 104.1° |
| C73 | C49 | N51 | 113.3° | 110.8° |
| C73 | C49 | H31 | 108.0° | 110.3° |
| C43 | C46 | C49 | 102.4° | 101.8° |
| C46 | C43 | H27 | 111.0° | 110.2° |
| C46 | C43 | H28 | 111.0° | 110.3° |
| C43 | C46 | H29 | 111.2° | 111.0° |
| C43 | C46 | H30 | 111.2° | 110.9° |
| C46 | C49 | N51 | 115.2° | 110.5° |
| C49 | C46 | H29 | 111.2° | 111.0° |
| C49 | C46 | H30 | 111.2° | 110.9° |
| C46 | C49 | H31 | 107.9° | 110.5° |
| C49 | N51 | S53 | 122.5° | 120.0° |
| N51 | C49 | H31 | 108.7° | 110.5° |
| C49 | N51 | H32 | 106.1° | 120.0° |
| N51 | S53 | O55 | 105.9° | 106.4° |
| N51 | S53 | C56 | 106.8° | 107.2° |
| N51 | S53 | O54 | 107.4° | 106.4° |
| S53 | N51 | H32 | 106.1° | 120.0° |
| O55 | S53 | C56 | 108.4° | 106.4° |
| O55 | S53 | O54 | 119.7° | 123.2° |
| C59 | C57 | C56 | 120.0° | 121.0° |
| C57 | C59 | C61 | 121.2° | 119.6° |
| C59 | C57 | H33 | 120.0° | 119.5° |
| C57 | C59 | H34 | 119.4° | 120.2° |
| C57 | C56 | S53 | 119.0° | 119.5° |
| C57 | C56 | C71 | 121.0° | 121.0° |
| C56 | C57 | H33 | 120.0° | 119.5° |
| C59 | C61 | C62 | 122.5° | 121.3° |
| C59 | C61 | C70 | 118.5° | 119.3° |
| C61 | C59 | H34 | 119.4° | 120.2° |
| C56 | S53 | O54 | 108.0° | 106.4° |
| S53 | C56 | C71 | 120.0° | 119.5° |
| C56 | C71 | C70 | 120.3° | 119.6° |
| C56 | C71 | H38 | 119.8° | 120.1° |
| C62 | C61 | C70 | 119.0° | 119.4° |
| C61 | C62 | C64 | 119.3° | 119.6° |
| C61 | C62 | H35 | 120.4° | 120.2° |
| C61 | C70 | C71 | 119.0° | 119.4° |
| C61 | C70 | C68 | 118.7° | 119.4° |
| C62 | C64 | CL | 119.0° | 119.5° |
| C62 | C64 | C66 | 122.2° | 120.9° |
| C64 | C62 | H35 | 120.4° | 120.1° |
| C71 | C70 | C68 | 122.3° | 121.2° |
| C70 | C71 | H38 | 119.8° | 120.2° |
| C70 | C68 | C66 | 121.0° | 119.6° |
| C70 | C68 | H37 | 119.5° | 120.2° |
| CL | C64 | C66 | 118.9° | 119.5° |
| C64 | C66 | C68 | 119.8° | 121.0° |
| C64 | C66 | H36 | 120.1° | 119.5° |
| C68 | C66 | H36 | 120.1° | 119.5° |
| C66 | C68 | H37 | 119.5° | 120.2° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H6 | C07 | H7 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.4° | 109.4° |
| H14 | C19 | H15 | 109.5° | 109.5° |
| H17 | C24 | H18 | 109.4° | 109.4° |
| H19 | C27 | H20 | 109.5° | 109.6° |
| H21 | C31 | H22 | 109.4° | 109.7° |
| H24 | C38 | H25 | 109.4° | 109.5° |
| H24 | C38 | H26 | 109.4° | 109.4° |
| H25 | C38 | H26 | 109.5° | 109.5° |
| H27 | C43 | H28 | 109.5° | 110.2° |
| H29 | C46 | H30 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C17 | C19 | C31 | 124.0° | 119.5° |
| C14 | C17 | C19 | H13 | 117.8° | 120.1° |
| C14 | C17 | C31 | H13 | 119.8° | 120.3° |
| C17 | C14 | N13 | H11 | 120.2° | 120.0° |
| C17 | C14 | N13 | H12 | 120.2° | 120.0° |
| C14 | C17 | C19 | C22 | 63.1° | 57.5° |
| C14 | C17 | C31 | N30 | 68.2° | 64.6° |
| C17 | C14 | N13 | C10 | 179.2° | 174.1° |
| C17 | C14 | N13 | C24 | 53.7° | 61.8° |
| C17 | C14 | H11 | H12 | 119.3° | 119.9° |
| C14 | C17 | C19 | H14 | 56.6° | 62.5° |
| C14 | C17 | C19 | H15 | 177.2° | 177.4° |
| C14 | C17 | C31 | H21 | 171.5° | 175.6° |
| C14 | C17 | C31 | H22 | 52.1° | 55.2° |
| C19 | C17 | C31 | H13 | 118.3° | 120.2° |
| C19 | C17 | C14 | N13 | 59.5° | 59.1° |
| C17 | C19 | C22 | H14 | 119.7° | 120.0° |
| C17 | C19 | C22 | H15 | 119.7° | 119.9° |
| C19 | C17 | C31 | N30 | 53.7° | 54.9° |
| C17 | C19 | C22 | C24 | 60.5° | 57.5° |
| C17 | C19 | C22 | C27 | 63.1° | 62.1° |
| C19 | C17 | C14 | H11 | 179.7° | 60.9° |
| C19 | C17 | C14 | H12 | 60.7° | 179.1° |
| C17 | C19 | H14 | H15 | 120.8° | 120.1° |
| C17 | C19 | C22 | H16 | 178.8° | 177.6° |
| C19 | C17 | C31 | H21 | 66.6° | 64.9° |
| C19 | C17 | C31 | H22 | 174.0° | 174.7° |
| C31 | C17 | C14 | N13 | 62.9° | 60.2° |
| C31 | C17 | C19 | C22 | 60.8° | 62.0° |
| C17 | C31 | N30 | H21 | 120.3° | 119.8° |
| C17 | C31 | N30 | H22 | 120.3° | 119.8° |
| C17 | C31 | N30 | C27 | 50.0° | 53.5° |
| C17 | C31 | N30 | C34 | 130.8° | 126.6° |
| C31 | C17 | C14 | H11 | 57.4° | 179.7° |
| C31 | C17 | C14 | H12 | 176.9° | 59.8° |
| C31 | C17 | C19 | H14 | 179.4° | 178.0° |
| C31 | C17 | C19 | H15 | 58.9° | 57.9° |
| C17 | C31 | H21 | H22 | 119.0° | 120.3° |
| C14 | N13 | C10 | C07 | 57.9° | 65.9° |
| C14 | N13 | C10 | C24 | 127.7° | 124.1° |
| C14 | N13 | C24 | C22 | 51.8° | 61.8° |
| C14 | N13 | C10 | H8 | 178.5° | 174.2° |
| C14 | N13 | C10 | H9 | 62.7° | 54.1° |
| N13 | C14 | H11 | H12 | 119.4° | 120.0° |
| N13 | C14 | C17 | H13 | 177.3° | 179.3° |
| C14 | N13 | C24 | H17 | 172.2° | 178.1° |
| C14 | N13 | C24 | H18 | 68.7° | 58.2° |
| C19 | C22 | C24 | N13 | 55.1° | 59.2° |
| C19 | C22 | C24 | C27 | 121.2° | 119.4° |
| C19 | C22 | C24 | H16 | 118.4° | 120.1° |
| C19 | C22 | C27 | H16 | 118.2° | 120.2° |
| C19 | C22 | C27 | N30 | 58.5° | 54.9° |
| C22 | C19 | C17 | H13 | 179.0° | 177.6° |
| C22 | C19 | H14 | H15 | 120.8° | 120.1° |
| C19 | C22 | C24 | H17 | 175.5° | 179.1° |
| C19 | C22 | C24 | H18 | 65.3° | 60.8° |
| C19 | C22 | C27 | H19 | 178.7° | 174.7° |
| C19 | C22 | C27 | H20 | 61.7° | 65.0° |
| C31 | N30 | C27 | C22 | 52.5° | 53.5° |
| C31 | N30 | C27 | C34 | 179.2° | 179.9° |
| C31 | N30 | C34 | O35 | 1.9° | 175.5° |
| C31 | N30 | C34 | C36 | 177.8° | 4.5° |
| N30 | C31 | C17 | H13 | 172.0° | 175.1° |
| C31 | N30 | C27 | H19 | 172.7° | 173.2° |
| C31 | N30 | C27 | H20 | 67.8° | 66.4° |
| N30 | C31 | H21 | H22 | 119.0° | 120.4° |
| C10 | C07 | N05 | H6 | 120.3° | 120.0° |
| C10 | C07 | N05 | H7 | 120.3° | 120.0° |
| C10 | C07 | N05 | C01 | 137.0° | 180.0° |
| C07 | C10 | N13 | H8 | 120.6° | 120.0° |
| C07 | C10 | N13 | H9 | 120.6° | 120.0° |
| C07 | C10 | N13 | C24 | 174.5° | 170.0° |
| C10 | C07 | N05 | H4 | 102.8° | 56.0° |
| C10 | C07 | H6 | H7 | 119.2° | 120.0° |
| C07 | C10 | H8 | H9 | 118.1° | 120.0° |
| C07 | N05 | C01 | H4 | 120.2° | 124.0° |
| N05 | C07 | C10 | N13 | 63.9° | 180.0° |
| C07 | N05 | C01 | H1 | 180.0° | 60.0° |
| C07 | N05 | C01 | H2 | 60.0° | 60.1° |
| C07 | N05 | C01 | H3 | 60.0° | 180.0° |
| N05 | C07 | H6 | H7 | 119.2° | 120.0° |
| N05 | C07 | C10 | H8 | 56.7° | 60.0° |
| N05 | C07 | C10 | H9 | 175.5° | 60.0° |
| N05 | C01 | H1 | H2 | 120.0° | 120.0° |
| N05 | C01 | H1 | H3 | 120.0° | 120.0° |
| N05 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | N05 | C07 | H6 | 16.7° | 60.0° |
| C01 | N05 | C07 | H7 | 102.8° | 60.0° |
| C10 | N13 | C24 | C22 | 178.3° | 174.1° |
| N13 | C10 | C07 | H6 | 56.3° | 60.0° |
| N13 | C10 | C07 | H7 | 175.8° | 60.0° |
| N13 | C10 | H8 | H9 | 118.1° | 120.0° |
| C10 | N13 | C14 | H11 | 59.0° | 65.8° |
| C10 | N13 | C14 | H12 | 60.6° | 54.1° |
| C10 | N13 | C24 | H17 | 61.2° | 54.1° |
| C10 | N13 | C24 | H18 | 57.9° | 65.8° |
| N13 | C24 | C22 | H17 | 120.4° | 120.0° |
| N13 | C24 | C22 | H18 | 120.4° | 120.0° |
| N13 | C24 | C22 | C27 | 66.1° | 60.3° |
| C24 | N13 | C10 | H8 | 53.8° | 50.0° |
| C24 | N13 | C10 | H9 | 64.9° | 70.0° |
| C24 | N13 | C14 | H11 | 174.0° | 58.2° |
| C24 | N13 | C14 | H12 | 66.5° | 178.2° |
| N13 | C24 | C22 | H16 | 173.5° | 179.3° |
| N13 | C24 | H17 | H18 | 118.7° | 119.9° |
| C24 | C22 | C27 | H16 | 120.3° | 120.3° |
| C24 | C22 | C27 | N30 | 63.0° | 64.6° |
| C24 | C22 | C19 | H14 | 59.2° | 62.5° |
| C24 | C22 | C19 | H15 | 179.8° | 177.4° |
| C22 | C24 | H17 | H18 | 118.8° | 120.1° |
| C24 | C22 | C27 | H19 | 57.2° | 55.1° |
| C24 | C22 | C27 | H20 | 176.8° | 175.5° |
| C22 | C27 | N30 | H19 | 120.2° | 119.7° |
| C22 | C27 | N30 | H20 | 120.2° | 119.8° |
| C22 | C27 | N30 | C34 | 128.4° | 126.6° |
| C27 | C22 | C19 | H14 | 177.2° | 177.9° |
| C27 | C22 | C19 | H15 | 56.7° | 57.9° |
| C27 | C22 | C24 | H17 | 54.3° | 59.7° |
| C27 | C22 | C24 | H18 | 173.5° | 179.7° |
| C22 | C27 | H19 | H20 | 119.4° | 120.3° |
| C27 | N30 | C34 | O35 | 179.0° | 4.6° |
| C27 | N30 | C34 | C36 | 1.3° | 175.4° |
| N30 | C27 | C22 | H16 | 176.7° | 175.1° |
| N30 | C27 | H19 | H20 | 119.4° | 120.5° |
| C27 | N30 | C31 | H21 | 70.3° | 66.3° |
| C27 | N30 | C31 | H22 | 170.4° | 173.2° |
| N30 | C34 | O35 | C36 | 179.6° | 180.0° |
| N30 | C34 | C36 | C38 | 86.8° | 63.9° |
| N30 | C34 | C36 | N42 | 147.9° | 176.1° |
| C34 | N30 | C27 | H19 | 8.2° | 6.9° |
| C34 | N30 | C27 | H20 | 111.4° | 113.6° |
| C34 | N30 | C31 | H21 | 108.8° | 113.6° |
| C34 | N30 | C31 | H22 | 10.5° | 6.8° |
| N30 | C34 | C36 | H23 | 30.7° | 56.1° |
| O35 | C34 | C36 | C38 | 93.5° | 116.2° |
| O35 | C34 | C36 | N42 | 31.7° | 3.9° |
| O35 | C34 | C36 | H23 | 148.9° | 123.9° |
| C34 | C36 | C38 | N42 | 123.6° | 120.0° |
| C34 | C36 | C38 | H23 | 117.5° | 120.0° |
| C34 | C36 | N42 | H23 | 116.7° | 120.0° |
| C34 | C36 | N42 | C73 | 89.2° | 60.0° |
| C34 | C36 | N42 | C43 | 92.5° | 119.7° |
| C34 | C36 | C38 | H24 | 180.0° | 66.2° |
| C34 | C36 | C38 | H25 | 60.0° | 173.7° |
| C34 | C36 | C38 | H26 | 60.0° | 53.7° |
| C38 | C36 | N42 | H23 | 118.5° | 119.9° |
| C38 | C36 | N42 | C73 | 146.1° | 60.0° |
| C38 | C36 | N42 | C43 | 32.3° | 120.2° |
| C36 | C38 | H24 | H25 | 120.0° | 120.1° |
| C36 | C38 | H24 | H26 | 120.0° | 119.9° |
| C36 | C38 | H25 | H26 | 120.0° | 120.0° |
| C36 | N42 | C73 | C43 | 178.5° | 179.8° |
| C36 | N42 | C73 | O74 | 0.9° | 0.3° |
| C36 | N42 | C73 | C49 | 177.7° | 179.7° |
| C36 | N42 | C43 | C46 | 161.9° | 163.0° |
| N42 | C36 | C38 | H24 | 56.4° | 173.7° |
| N42 | C36 | C38 | H25 | 63.5° | 53.7° |
| N42 | C36 | C38 | H26 | 176.4° | 66.3° |
| C36 | N42 | C43 | H27 | 42.9° | 78.0° |
| C36 | N42 | C43 | H28 | 79.1° | 44.0° |
| N42 | C73 | O74 | C49 | 178.4° | 179.9° |
| C73 | N42 | C43 | C46 | 19.6° | 16.8° |
| N42 | C73 | C49 | C46 | 20.7° | 16.6° |
| N42 | C73 | C49 | N51 | 146.0° | 102.2° |
| C73 | N42 | C36 | H23 | 27.5° | 180.0° |
| C73 | N42 | C43 | H27 | 138.6° | 102.2° |
| C73 | N42 | C43 | H28 | 99.4° | 135.8° |
| N42 | C73 | C49 | H31 | 93.5° | 135.2° |
| C43 | N42 | C73 | O74 | 179.4° | 179.9° |
| C43 | N42 | C73 | C49 | 0.8° | 0.0° |
| N42 | C43 | C46 | H27 | 119.0° | 119.0° |
| N42 | C43 | C46 | H28 | 119.0° | 119.0° |
| N42 | C43 | C46 | C49 | 30.9° | 25.4° |
| C43 | N42 | C36 | H23 | 150.8° | 0.3° |
| N42 | C43 | H27 | H28 | 122.9° | 122.0° |
| N42 | C43 | C46 | H29 | 88.0° | 143.6° |
| N42 | C43 | C46 | H30 | 149.8° | 92.7° |
| O74 | C73 | C49 | C46 | 160.7° | 163.5° |
| O74 | C73 | C49 | N51 | 35.4° | 77.8° |
| O74 | C73 | C49 | H31 | 85.1° | 44.9° |
| C73 | C49 | C46 | C43 | 31.4° | 25.0° |
| C73 | C49 | C46 | N51 | 124.2° | 119.0° |
| C73 | C49 | C46 | H31 | 114.2° | 118.5° |
| C73 | C49 | N51 | H31 | 120.0° | 122.6° |
| C73 | C49 | N51 | S53 | 117.9° | 100.1° |
| C73 | C49 | C46 | H29 | 87.4° | 143.1° |
| C73 | C49 | C46 | H30 | 150.3° | 93.1° |
| C73 | C49 | N51 | H32 | 3.9° | 79.9° |
| C43 | C46 | C49 | H29 | 118.9° | 118.2° |
| C43 | C46 | C49 | H30 | 118.9° | 118.1° |
| C43 | C46 | C49 | N51 | 155.6° | 94.0° |
| C46 | C43 | H27 | H28 | 122.8° | 121.9° |
| C43 | C46 | H29 | H30 | 123.3° | 123.8° |
| C43 | C46 | C49 | H31 | 82.8° | 143.4° |
| C46 | C49 | N51 | H31 | 121.2° | 122.6° |
| C46 | C49 | N51 | S53 | 123.3° | 145.0° |
| C49 | C46 | C43 | H27 | 149.9° | 93.6° |
| C49 | C46 | C43 | H28 | 88.2° | 144.4° |
| C49 | C46 | H29 | H30 | 123.3° | 123.8° |
| C46 | C49 | N51 | H32 | 114.9° | 34.9° |
| C49 | N51 | S53 | H32 | 121.8° | 180.0° |
| C49 | N51 | S53 | O55 | 175.2° | 48.5° |
| C49 | N51 | S53 | C56 | 69.4° | 65.0° |
| C49 | N51 | S53 | O54 | 46.2° | 178.6° |
| N51 | C49 | C46 | H29 | 36.7° | 24.2° |
| N51 | C49 | C46 | H30 | 85.5° | 147.9° |
| N51 | S53 | O55 | C56 | 114.3° | 114.1° |
| N51 | S53 | O55 | O54 | 121.4° | 122.9° |
| N51 | S53 | C56 | C57 | 68.4° | 89.7° |
| N51 | S53 | C56 | O54 | 115.2° | 113.5° |
| N51 | S53 | C56 | C71 | 110.0° | 90.0° |
| S53 | N51 | C49 | H31 | 2.2° | 22.5° |
| O55 | S53 | C56 | C57 | 45.4° | 23.8° |
| O55 | S53 | C56 | O54 | 131.0° | 132.9° |
| O55 | S53 | C56 | C71 | 136.2° | 156.4° |
| O55 | S53 | N51 | H32 | 63.0° | 131.4° |
| C59 | C57 | C56 | H33 | 180.0° | 179.9° |
| C57 | C59 | C61 | H34 | 180.0° | 180.0° |
| C59 | C57 | C56 | S53 | 178.7° | 180.0° |
| C59 | C57 | C56 | C71 | 0.4° | 0.2° |
| C57 | C59 | C61 | C62 | 179.7° | 180.0° |
| C57 | C59 | C61 | C70 | 0.4° | 0.0° |
| C56 | C57 | C59 | C61 | 0.2° | 0.0° |
| C57 | C56 | S53 | C71 | 178.4° | 179.7° |
| C57 | C56 | S53 | O54 | 176.4° | 156.8° |
| C57 | C56 | C71 | C70 | 0.6° | 0.5° |
| C56 | C57 | C59 | H34 | 179.8° | 180.0° |
| C57 | C56 | C71 | H38 | 179.4° | 179.7° |
| C59 | C61 | C62 | C70 | 179.2° | 180.0° |
| C59 | C61 | C62 | C64 | 179.9° | 180.0° |
| C59 | C61 | C70 | C71 | 0.2° | 0.3° |
| C59 | C61 | C70 | C68 | 179.8° | 180.0° |
| C61 | C59 | C57 | H33 | 179.8° | 179.9° |
| C59 | C61 | C62 | H35 | 0.1° | 0.0° |
| S53 | C56 | C71 | C70 | 179.0° | 179.8° |
| C56 | S53 | N51 | H32 | 52.5° | 115.0° |
| S53 | C56 | C57 | H33 | 1.3° | 0.1° |
| S53 | C56 | C71 | H38 | 1.0° | 0.0° |
| O54 | S53 | C56 | C71 | 5.2° | 23.5° |
| O54 | S53 | N51 | H32 | 168.1° | 1.5° |
| C56 | C71 | C70 | C61 | 0.3° | 0.5° |
| C56 | C71 | C70 | H38 | 180.0° | 179.8° |
| C56 | C71 | C70 | C68 | 179.7° | 179.8° |
| C71 | C56 | C57 | H33 | 179.6° | 179.9° |
| C61 | C62 | C64 | H35 | 180.0° | 180.0° |
| C62 | C61 | C70 | C71 | 179.4° | 179.7° |
| C62 | C61 | C70 | C68 | 0.5° | 0.0° |
| C61 | C62 | C64 | CL | 179.9° | 180.0° |
| C61 | C62 | C64 | C66 | 0.3° | 0.1° |
| C62 | C61 | C59 | H34 | 0.3° | 0.1° |
| C70 | C61 | C62 | C64 | 0.9° | 0.0° |
| C61 | C70 | C71 | C68 | 179.9° | 179.7° |
| C61 | C70 | C68 | C66 | 0.5° | 0.0° |
| C70 | C61 | C59 | H34 | 179.6° | 179.9° |
| C70 | C61 | C62 | H35 | 179.1° | 180.0° |
| C61 | C70 | C68 | H37 | 179.5° | 179.9° |
| C61 | C70 | C71 | H38 | 179.6° | 179.7° |
| C62 | C64 | CL | C66 | 179.6° | 179.9° |
| C62 | C64 | C66 | C68 | 0.7° | 0.1° |
| C62 | C64 | C66 | H36 | 179.4° | 180.0° |
| C71 | C70 | C68 | C66 | 179.6° | 179.7° |
| C71 | C70 | C68 | H37 | 0.4° | 0.4° |
| C70 | C68 | C66 | C64 | 1.1° | 0.1° |
| C70 | C68 | C66 | H37 | 180.0° | 179.9° |
| C70 | C68 | C66 | H36 | 178.9° | 180.0° |
| C68 | C70 | C71 | H38 | 0.3° | 0.0° |
| CL | C64 | C66 | C68 | 178.9° | 180.0° |
| CL | C64 | C62 | H35 | 0.0° | 0.1° |
| CL | C64 | C66 | H36 | 1.0° | 0.1° |
| C64 | C66 | C68 | H36 | 180.0° | 179.9° |
| C66 | C64 | C62 | H35 | 179.7° | 180.0° |
| C64 | C66 | C68 | H37 | 178.9° | 179.9° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | N05 | H4 | 59.8° | 176.0° |
| H2 | C01 | N05 | H4 | 179.8° | 63.9° |
| H3 | C01 | N05 | H4 | 60.2° | 56.0° |
| H4 | N05 | C07 | H6 | 136.9° | 63.9° |
| H4 | N05 | C07 | H7 | 17.4° | 176.1° |
| H6 | C07 | C10 | H8 | 177.0° | 180.0° |
| H6 | C07 | C10 | H9 | 64.3° | 60.0° |
| H7 | C07 | C10 | H8 | 63.6° | 60.0° |
| H7 | C07 | C10 | H9 | 55.2° | 180.0° |
| H11 | C14 | C17 | H13 | 62.4° | 59.2° |
| H12 | C14 | C17 | H13 | 57.1° | 60.7° |
| H13 | C17 | C19 | H14 | 61.2° | 57.6° |
| H13 | C17 | C19 | H15 | 59.3° | 62.5° |
| H13 | C17 | C31 | H21 | 51.6° | 55.3° |
| H13 | C17 | C31 | H22 | 67.7° | 65.1° |
| H14 | C19 | C22 | H16 | 59.0° | 57.6° |
| H15 | C19 | C22 | H16 | 61.5° | 62.5° |
| H16 | C22 | C24 | H17 | 66.1° | 60.8° |
| H16 | C22 | C24 | H18 | 53.1° | 59.3° |
| H16 | C22 | C27 | H19 | 63.1° | 65.1° |
| H16 | C22 | C27 | H20 | 56.5° | 55.2° |
| H23 | C36 | C38 | H24 | 62.5° | 53.8° |
| H23 | C36 | C38 | H25 | 177.5° | 66.3° |
| H23 | C36 | C38 | H26 | 57.5° | 173.7° |
| H24 | C38 | H25 | H26 | 120.0° | 120.0° |
| H27 | C43 | C46 | H29 | 31.1° | 24.6° |
| H27 | C43 | C46 | H30 | 91.2° | 148.3° |
| H28 | C43 | C46 | H29 | 153.0° | 97.4° |
| H28 | C43 | C46 | H30 | 30.7° | 26.4° |
| H29 | C46 | C49 | H31 | 158.3° | 98.4° |
| H30 | C46 | C49 | H31 | 36.1° | 25.4° |
| H31 | C49 | N51 | H32 | 124.0° | 157.5° |
| H33 | C57 | C59 | H34 | 0.2° | 0.1° |
| H36 | C66 | C68 | H37 | 1.0° | 0.0° |
