0GT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O39 | S34 | doub | 1.42Å | 1.45Å | |
| C31 | S34 | sing | 1.82Å | 1.80Å | |
| C31 | C29 | sing | 1.53Å | 1.55Å | |
| S34 | O38 | doub | 1.42Å | 1.45Å | |
| S34 | C35 | sing | 1.82Å | 1.79Å | |
| F4 | C2 | sing | 1.40Å | 1.36Å | |
| F1 | C2 | sing | 1.40Å | 1.36Å | |
| C42 | N40 | sing | 1.47Å | 1.49Å | |
| C42 | C45 | sing | 1.51Å | 1.54Å | |
| C53 | C45 | doub | 1.38Å | 1.42Å | Aromatic |
| C53 | C51 | sing | 1.38Å | 1.42Å | Aromatic |
| N40 | C29 | sing | 1.47Å | 1.49Å | |
| C2 | C5 | sing | 1.53Å | 1.55Å | |
| C29 | C27 | sing | 1.53Å | 1.56Å | |
| C35 | C25 | sing | 1.53Å | 1.56Å | |
| C45 | C46 | sing | 1.38Å | 1.41Å | Aromatic |
| C51 | C49 | doub | 1.38Å | 1.42Å | Aromatic |
| C27 | C25 | sing | 1.53Å | 1.57Å | |
| C27 | O68 | sing | 1.43Å | 1.44Å | |
| C5 | C8 | sing | 1.51Å | 1.51Å | |
| C25 | C22 | sing | 1.53Å | 1.57Å | |
| C46 | C48 | doub | 1.38Å | 1.42Å | Aromatic |
| C49 | C48 | sing | 1.38Å | 1.43Å | Aromatic |
| C15 | C14 | doub | 1.40Å | 1.41Å | Aromatic |
| C15 | C17 | sing | 1.37Å | 1.42Å | Aromatic |
| C8 | C14 | sing | 1.46Å | 1.51Å | Aromatic |
| C8 | C9 | doub | 1.34Å | 1.35Å | Aromatic |
| C22 | C17 | sing | 1.51Å | 1.54Å | |
| C48 | C55 | sing | 1.51Å | 1.57Å | |
| C14 | C13 | sing | 1.41Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.43Å | Aromatic |
| C9 | N11 | sing | 1.37Å | 1.31Å | Aromatic |
| C13 | N11 | sing | 1.38Å | 1.35Å | Aromatic |
| C13 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
| C18 | C20 | sing | 1.38Å | 1.42Å | Aromatic |
| C64 | C55 | sing | 1.53Å | 1.56Å | |
| C55 | C56 | sing | 1.53Å | 1.56Å | |
| C55 | C60 | sing | 1.53Å | 1.56Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| N11 | H5 | sing | 0.97Å | 1.00Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C29 | H13 | sing | 1.09Å | 1.10Å | |
| C31 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C35 | H16 | sing | 1.09Å | 1.10Å | |
| C35 | H17 | sing | 1.09Å | 1.10Å | |
| N40 | H18 | sing | 1.01Å | 1.00Å | |
| C42 | H20 | sing | 1.09Å | 1.10Å | |
| C42 | H21 | sing | 1.09Å | 1.10Å | |
| C46 | H22 | sing | 1.08Å | 1.08Å | |
| C49 | H23 | sing | 1.08Å | 1.08Å | |
| C51 | H24 | sing | 1.08Å | 1.08Å | |
| C53 | H25 | sing | 1.08Å | 1.08Å | |
| C56 | H26 | sing | 1.09Å | 1.10Å | |
| C56 | H27 | sing | 1.09Å | 1.10Å | |
| C56 | H28 | sing | 1.09Å | 1.10Å | |
| C60 | H29 | sing | 1.09Å | 1.10Å | |
| C60 | H30 | sing | 1.09Å | 1.10Å | |
| C60 | H31 | sing | 1.09Å | 1.10Å | |
| C64 | H32 | sing | 1.09Å | 1.10Å | |
| C64 | H33 | sing | 1.09Å | 1.10Å | |
| C64 | H34 | sing | 1.09Å | 1.10Å | |
| O68 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O39 | S34 | C31 | 108.4° | 108.7° |
| O39 | S34 | O38 | 119.9° | 119.3° |
| O39 | S34 | C35 | 107.1° | 108.7° |
| S34 | C31 | C29 | 108.8° | 109.0° |
| C31 | S34 | O38 | 109.7° | 108.7° |
| C31 | S34 | C35 | 100.6° | 101.3° |
| S34 | C31 | H14 | 109.7° | 109.5° |
| S34 | C31 | H15 | 109.6° | 109.6° |
| C31 | C29 | N40 | 112.5° | 109.3° |
| C31 | C29 | C27 | 115.1° | 110.0° |
| C31 | C29 | H13 | 105.2° | 109.4° |
| C29 | C31 | H14 | 109.7° | 109.5° |
| C29 | C31 | H15 | 109.7° | 109.6° |
| O38 | S34 | C35 | 109.5° | 108.8° |
| S34 | C35 | C25 | 110.8° | 109.0° |
| S34 | C35 | H16 | 109.1° | 109.6° |
| S34 | C35 | H17 | 109.1° | 109.6° |
| F4 | C2 | F1 | 109.8° | 109.4° |
| F4 | C2 | C5 | 110.6° | 109.5° |
| F4 | C2 | H1 | 109.8° | 109.5° |
| F1 | C2 | C5 | 109.4° | 109.5° |
| F1 | C2 | H1 | 109.8° | 109.5° |
| N40 | C42 | C45 | 108.9° | 109.5° |
| C42 | N40 | C29 | 121.0° | 111.0° |
| C42 | N40 | H18 | 106.5° | 111.0° |
| N40 | C42 | H20 | 109.6° | 109.5° |
| N40 | C42 | H21 | 109.6° | 109.4° |
| C42 | C45 | C53 | 121.6° | 120.0° |
| C42 | C45 | C46 | 119.2° | 120.0° |
| C45 | C42 | H20 | 109.6° | 109.5° |
| C45 | C42 | H21 | 109.6° | 109.5° |
| C45 | C53 | C51 | 119.5° | 120.0° |
| C53 | C45 | C46 | 119.2° | 120.0° |
| C45 | C53 | H25 | 120.3° | 120.0° |
| C53 | C51 | C49 | 120.1° | 120.0° |
| C53 | C51 | H24 | 119.9° | 120.0° |
| C51 | C53 | H25 | 120.2° | 120.0° |
| N40 | C29 | C27 | 112.0° | 109.4° |
| N40 | C29 | H13 | 105.9° | 109.4° |
| C29 | N40 | H18 | 106.5° | 111.0° |
| C2 | C5 | C8 | 111.9° | 109.5° |
| C5 | C2 | H1 | 107.4° | 109.5° |
| C2 | C5 | H2 | 108.9° | 109.5° |
| C2 | C5 | H3 | 108.9° | 109.5° |
| C29 | C27 | C25 | 113.4° | 110.6° |
| C29 | C27 | O68 | 107.0° | 109.2° |
| C29 | C27 | H12 | 108.6° | 109.2° |
| C27 | C29 | H13 | 105.1° | 109.4° |
| C35 | C25 | C27 | 110.1° | 109.9° |
| C35 | C25 | C22 | 111.7° | 109.4° |
| C35 | C25 | H11 | 107.6° | 109.4° |
| C25 | C35 | H16 | 109.1° | 109.7° |
| C25 | C35 | H17 | 109.2° | 109.4° |
| C45 | C46 | C48 | 123.1° | 119.9° |
| C45 | C46 | H22 | 118.5° | 120.1° |
| C51 | C49 | C48 | 121.8° | 120.0° |
| C51 | C49 | H23 | 119.1° | 120.0° |
| C49 | C51 | H24 | 119.9° | 120.0° |
| C25 | C27 | O68 | 108.9° | 109.3° |
| C27 | C25 | C22 | 112.0° | 109.4° |
| C27 | C25 | H11 | 107.6° | 109.4° |
| C25 | C27 | H12 | 108.6° | 109.3° |
| O68 | C27 | H12 | 110.3° | 109.2° |
| C27 | O68 | H35 | 109.5° | 114.0° |
| C5 | C8 | C14 | 126.3° | 126.5° |
| C5 | C8 | C9 | 127.5° | 126.5° |
| C8 | C5 | H2 | 108.9° | 109.4° |
| C8 | C5 | H3 | 108.9° | 109.5° |
| C25 | C22 | C17 | 111.6° | 109.5° |
| C25 | C22 | H9 | 108.9° | 109.5° |
| C25 | C22 | H10 | 108.9° | 109.4° |
| C22 | C25 | H11 | 107.6° | 109.4° |
| C46 | C48 | C49 | 116.3° | 120.0° |
| C46 | C48 | C55 | 118.3° | 120.0° |
| C48 | C46 | H22 | 118.4° | 120.0° |
| C49 | C48 | C55 | 125.4° | 120.0° |
| C48 | C49 | H23 | 119.1° | 120.0° |
| C14 | C15 | C17 | 117.9° | 119.8° |
| C15 | C14 | C8 | 135.4° | 134.1° |
| C15 | C14 | C13 | 121.8° | 119.9° |
| C14 | C15 | H6 | 121.0° | 120.1° |
| C15 | C17 | C22 | 118.5° | 119.7° |
| C15 | C17 | C18 | 120.4° | 120.5° |
| C17 | C15 | H6 | 121.1° | 120.1° |
| C14 | C8 | C9 | 106.2° | 107.0° |
| C8 | C14 | C13 | 102.8° | 106.0° |
| C8 | C9 | N11 | 110.4° | 110.0° |
| C8 | C9 | H4 | 124.8° | 125.0° |
| C22 | C17 | C18 | 121.1° | 119.8° |
| C17 | C22 | H9 | 109.0° | 109.4° |
| C17 | C22 | H10 | 108.9° | 109.5° |
| C48 | C55 | C64 | 111.3° | 109.5° |
| C48 | C55 | C56 | 113.2° | 109.5° |
| C48 | C55 | C60 | 111.3° | 109.5° |
| C14 | C13 | N11 | 109.2° | 107.2° |
| C14 | C13 | C20 | 121.3° | 119.4° |
| C17 | C18 | C20 | 120.9° | 120.7° |
| C17 | C18 | H7 | 119.6° | 119.6° |
| C9 | N11 | C13 | 111.3° | 109.8° |
| N11 | C9 | H4 | 124.8° | 125.0° |
| C9 | N11 | H5 | 124.3° | 125.0° |
| N11 | C13 | C20 | 129.5° | 133.5° |
| C13 | N11 | H5 | 124.4° | 125.1° |
| C13 | C20 | C18 | 117.7° | 119.7° |
| C13 | C20 | H8 | 121.2° | 120.2° |
| C20 | C18 | H7 | 119.5° | 119.7° |
| C18 | C20 | H8 | 121.1° | 120.1° |
| C64 | C55 | C56 | 107.6° | 109.5° |
| C64 | C55 | C60 | 106.8° | 109.5° |
| C55 | C64 | H32 | 109.5° | 109.5° |
| C55 | C64 | H33 | 109.4° | 109.4° |
| C55 | C64 | H34 | 109.5° | 109.5° |
| C56 | C55 | C60 | 106.3° | 109.5° |
| C55 | C56 | H26 | 109.5° | 109.5° |
| C55 | C56 | H27 | 109.5° | 109.4° |
| C55 | C56 | H28 | 109.5° | 109.5° |
| C55 | C60 | H29 | 109.5° | 109.5° |
| C55 | C60 | H30 | 109.5° | 109.5° |
| C55 | C60 | H31 | 109.5° | 109.5° |
| H2 | C5 | H3 | 109.5° | 109.5° |
| H9 | C22 | H10 | 109.4° | 109.5° |
| H14 | C31 | H15 | 109.4° | 109.6° |
| H16 | C35 | H17 | 109.5° | 109.6° |
| H20 | C42 | H21 | 109.5° | 109.4° |
| H26 | C56 | H27 | 109.4° | 109.5° |
| H26 | C56 | H28 | 109.4° | 109.5° |
| H27 | C56 | H28 | 109.5° | 109.4° |
| H29 | C60 | H30 | 109.5° | 109.5° |
| H29 | C60 | H31 | 109.5° | 109.4° |
| H30 | C60 | H31 | 109.5° | 109.5° |
| H32 | C64 | H33 | 109.4° | 109.5° |
| H32 | C64 | H34 | 109.5° | 109.5° |
| H33 | C64 | H34 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O39 | S34 | C31 | O38 | 132.6° | 131.2° |
| O39 | S34 | C31 | C35 | 112.1° | 114.3° |
| O39 | S34 | C31 | C29 | 169.3° | 168.7° |
| O39 | S34 | O38 | C35 | 124.2° | 125.3° |
| O39 | S34 | C35 | C25 | 174.6° | 168.8° |
| O39 | S34 | C31 | H14 | 49.4° | 71.5° |
| O39 | S34 | C31 | H15 | 70.8° | 48.8° |
| O39 | S34 | C35 | H16 | 65.3° | 48.8° |
| O39 | S34 | C35 | H17 | 54.3° | 71.5° |
| S34 | C31 | C29 | H14 | 119.9° | 119.8° |
| S34 | C31 | C29 | H15 | 119.9° | 119.9° |
| C31 | S34 | O38 | C35 | 109.5° | 109.4° |
| S34 | C31 | C29 | N40 | 171.3° | 176.2° |
| S34 | C31 | C29 | C27 | 58.8° | 63.7° |
| C31 | S34 | C35 | C25 | 61.4° | 54.5° |
| S34 | C31 | C29 | H13 | 56.4° | 56.5° |
| S34 | C31 | H14 | H15 | 120.3° | 120.3° |
| C31 | S34 | C35 | H16 | 178.4° | 65.6° |
| C31 | S34 | C35 | H17 | 58.8° | 174.2° |
| C29 | C31 | S34 | O38 | 58.1° | 60.0° |
| C29 | C31 | S34 | C35 | 57.1° | 54.4° |
| C31 | C29 | N40 | C42 | 60.1° | 84.5° |
| C31 | C29 | N40 | C27 | 131.5° | 120.5° |
| C31 | C29 | N40 | H13 | 114.4° | 119.8° |
| C31 | C29 | C27 | H13 | 115.3° | 120.2° |
| C31 | C29 | C27 | C25 | 57.1° | 70.0° |
| C31 | C29 | C27 | O68 | 177.2° | 169.7° |
| C31 | C29 | C27 | H12 | 63.7° | 50.3° |
| C29 | C31 | H14 | H15 | 120.4° | 120.3° |
| C31 | C29 | N40 | H18 | 61.5° | 39.4° |
| O38 | S34 | C35 | C25 | 54.0° | 59.9° |
| O38 | S34 | C31 | H14 | 178.0° | 59.7° |
| O38 | S34 | C31 | H15 | 61.8° | 180.0° |
| O38 | S34 | C35 | H16 | 66.1° | 179.9° |
| O38 | S34 | C35 | H17 | 174.3° | 59.8° |
| S34 | C35 | C25 | H16 | 120.2° | 120.0° |
| S34 | C35 | C25 | H17 | 120.2° | 119.8° |
| S34 | C35 | C25 | C27 | 62.9° | 63.8° |
| S34 | C35 | C25 | C22 | 172.0° | 176.1° |
| S34 | C35 | C25 | H11 | 54.1° | 56.3° |
| C35 | S34 | C31 | H14 | 62.8° | 174.2° |
| C35 | S34 | C31 | H15 | 177.1° | 65.5° |
| S34 | C35 | H16 | H17 | 119.4° | 120.3° |
| F4 | C2 | F1 | C5 | 121.6° | 120.0° |
| F4 | C2 | F1 | H1 | 120.8° | 120.0° |
| F4 | C2 | C5 | H1 | 119.8° | 120.0° |
| F4 | C2 | C5 | C8 | 80.7° | 175.0° |
| F4 | C2 | C5 | H2 | 39.7° | 55.0° |
| F4 | C2 | C5 | H3 | 158.9° | 65.0° |
| F1 | C2 | C5 | H1 | 119.1° | 120.0° |
| F1 | C2 | C5 | C8 | 158.2° | 65.0° |
| F1 | C2 | C5 | H2 | 81.4° | 175.0° |
| F1 | C2 | C5 | H3 | 37.9° | 55.0° |
| N40 | C42 | C45 | H20 | 119.9° | 120.1° |
| N40 | C42 | C45 | H21 | 119.9° | 120.0° |
| N40 | C42 | C45 | C53 | 114.1° | 90.2° |
| C42 | N40 | C29 | H18 | 121.6° | 123.9° |
| C42 | N40 | C29 | C27 | 168.3° | 155.0° |
| N40 | C42 | C45 | C46 | 65.7° | 90.0° |
| C42 | N40 | C29 | H13 | 54.3° | 35.3° |
| N40 | C42 | H20 | H21 | 120.3° | 119.9° |
| C42 | C45 | C53 | C46 | 179.8° | 179.8° |
| C42 | C45 | C53 | C51 | 179.6° | 179.7° |
| C45 | C42 | N40 | C29 | 57.9° | 180.0° |
| C42 | C45 | C46 | C48 | 179.6° | 180.0° |
| C45 | C42 | N40 | H18 | 179.5° | 56.1° |
| C45 | C42 | H20 | H21 | 120.2° | 120.0° |
| C42 | C45 | C46 | H22 | 0.4° | 0.0° |
| C42 | C45 | C53 | H25 | 0.4° | 0.0° |
| C45 | C53 | C51 | H25 | 180.0° | 179.7° |
| C45 | C53 | C51 | C49 | 0.1° | 0.6° |
| C53 | C45 | C46 | C48 | 0.2° | 0.3° |
| C53 | C45 | C42 | H20 | 126.0° | 149.7° |
| C53 | C45 | C42 | H21 | 5.8° | 29.7° |
| C53 | C45 | C46 | H22 | 179.8° | 179.8° |
| C45 | C53 | C51 | H24 | 179.9° | 179.7° |
| C51 | C53 | C45 | C46 | 0.2° | 0.5° |
| C53 | C51 | C49 | H24 | 180.0° | 179.7° |
| C53 | C51 | C49 | C48 | 0.1° | 0.3° |
| C53 | C51 | C49 | H23 | 179.9° | 179.8° |
| N40 | C29 | C27 | H13 | 114.5° | 119.8° |
| N40 | C29 | C27 | C25 | 172.7° | 169.9° |
| N40 | C29 | C27 | O68 | 52.6° | 49.6° |
| N40 | C29 | C27 | H12 | 66.5° | 69.8° |
| N40 | C29 | C31 | H14 | 68.8° | 56.5° |
| N40 | C29 | C31 | H15 | 51.4° | 63.8° |
| C29 | N40 | C42 | H20 | 177.8° | 59.9° |
| C29 | N40 | C42 | H21 | 62.0° | 60.0° |
| C2 | C5 | C8 | H2 | 120.4° | 120.0° |
| C2 | C5 | C8 | H3 | 120.4° | 120.0° |
| C2 | C5 | C8 | C14 | 61.9° | 85.0° |
| C2 | C5 | C8 | C9 | 118.1° | 94.7° |
| C2 | C5 | H2 | H3 | 118.9° | 120.0° |
| C29 | C27 | C25 | C35 | 57.2° | 70.0° |
| C29 | C27 | C25 | O68 | 119.0° | 120.3° |
| C29 | C27 | C25 | H12 | 120.9° | 120.3° |
| C29 | C27 | O68 | H12 | 118.0° | 119.4° |
| C29 | C27 | C25 | C22 | 178.0° | 169.8° |
| C29 | C27 | C25 | H11 | 59.9° | 50.1° |
| C27 | C29 | C31 | H14 | 61.1° | 176.5° |
| C27 | C29 | C31 | H15 | 178.7° | 56.3° |
| C27 | C29 | N40 | H18 | 70.1° | 81.1° |
| C29 | C27 | O68 | H35 | 180.0° | 58.8° |
| C35 | C25 | C27 | C22 | 124.9° | 120.1° |
| C35 | C25 | C27 | H11 | 117.0° | 120.1° |
| C35 | C25 | C27 | O68 | 176.1° | 169.7° |
| C35 | C25 | C22 | H11 | 117.9° | 119.8° |
| C35 | C25 | C22 | C17 | 56.7° | 64.8° |
| C35 | C25 | C22 | H9 | 63.6° | 175.2° |
| C35 | C25 | C22 | H10 | 177.0° | 55.2° |
| C35 | C25 | C27 | H12 | 63.7° | 50.2° |
| C25 | C35 | H16 | H17 | 119.4° | 120.1° |
| C45 | C46 | C48 | H22 | 180.0° | 179.9° |
| C45 | C46 | C48 | C49 | 0.0° | 0.0° |
| C45 | C46 | C48 | C55 | 179.7° | 180.0° |
| C46 | C45 | C42 | H20 | 54.2° | 30.0° |
| C46 | C45 | C42 | H21 | 174.4° | 150.0° |
| C46 | C45 | C53 | H25 | 179.8° | 179.7° |
| C51 | C49 | C48 | C46 | 0.1° | 0.0° |
| C51 | C49 | C48 | H23 | 180.0° | 179.9° |
| C51 | C49 | C48 | C55 | 179.8° | 180.0° |
| C49 | C51 | C53 | H25 | 179.9° | 179.7° |
| C25 | C27 | O68 | H12 | 119.1° | 119.5° |
| C27 | C25 | C22 | H11 | 118.1° | 119.8° |
| C27 | C25 | C22 | C17 | 179.3° | 174.8° |
| C27 | C25 | C22 | H9 | 60.4° | 54.8° |
| C27 | C25 | C22 | H10 | 58.9° | 65.2° |
| C25 | C27 | C29 | H13 | 58.2° | 50.2° |
| C27 | C25 | C35 | H16 | 176.9° | 56.2° |
| C27 | C25 | C35 | H17 | 57.3° | 176.4° |
| C25 | C27 | O68 | H35 | 57.1° | 180.0° |
| O68 | C27 | C25 | C22 | 59.0° | 49.6° |
| O68 | C27 | C25 | H11 | 59.1° | 70.2° |
| O68 | C27 | C29 | H13 | 61.9° | 70.1° |
| C5 | C8 | C14 | C15 | 0.4° | 0.0° |
| C5 | C8 | C14 | C9 | 180.0° | 179.7° |
| C5 | C8 | C14 | C13 | 179.7° | 179.9° |
| C5 | C8 | C9 | N11 | 179.7° | 180.0° |
| C8 | C5 | C2 | H1 | 39.1° | 55.0° |
| C8 | C5 | H2 | H3 | 118.9° | 120.0° |
| C5 | C8 | C9 | H4 | 0.4° | 0.1° |
| C25 | C22 | C17 | C15 | 110.8° | 90.0° |
| C25 | C22 | C17 | H9 | 120.3° | 120.0° |
| C25 | C22 | C17 | H10 | 120.3° | 120.0° |
| C25 | C22 | C17 | C18 | 68.7° | 90.0° |
| C25 | C22 | H9 | H10 | 119.0° | 120.0° |
| C22 | C25 | C27 | H12 | 61.2° | 69.9° |
| C22 | C25 | C35 | H16 | 51.8° | 63.9° |
| C22 | C25 | C35 | H17 | 67.8° | 56.3° |
| C46 | C48 | C49 | C55 | 179.7° | 180.0° |
| C46 | C48 | C55 | C64 | 45.2° | 60.0° |
| C46 | C48 | C55 | C56 | 166.5° | 60.0° |
| C46 | C48 | C55 | C60 | 73.8° | 180.0° |
| C46 | C48 | C49 | H23 | 179.9° | 179.9° |
| C49 | C48 | C55 | C64 | 135.2° | 120.0° |
| C49 | C48 | C55 | C56 | 13.8° | 120.0° |
| C49 | C48 | C55 | C60 | 105.9° | 0.0° |
| C49 | C48 | C46 | H22 | 179.9° | 180.0° |
| C48 | C49 | C51 | H24 | 179.9° | 180.0° |
| C14 | C15 | C17 | H6 | 180.0° | 180.0° |
| C15 | C14 | C8 | C13 | 179.9° | 179.8° |
| C15 | C14 | C8 | C9 | 179.6° | 179.7° |
| C14 | C15 | C17 | C22 | 179.2° | 180.0° |
| C14 | C15 | C17 | C18 | 0.4° | 0.1° |
| C15 | C14 | C13 | N11 | 179.8° | 179.7° |
| C15 | C14 | C13 | C20 | 0.2° | 0.1° |
| C17 | C15 | C14 | C8 | 179.7° | 180.0° |
| C15 | C17 | C22 | C18 | 179.6° | 179.9° |
| C17 | C15 | C14 | C13 | 0.2° | 0.1° |
| C15 | C17 | C18 | C20 | 0.4° | 0.5° |
| C15 | C17 | C18 | H7 | 179.7° | 180.0° |
| C15 | C17 | C22 | H9 | 9.5° | 150.0° |
| C15 | C17 | C22 | H10 | 128.8° | 30.0° |
| C14 | C8 | C9 | N11 | 0.4° | 0.3° |
| C8 | C14 | C13 | N11 | 0.1° | 0.4° |
| C8 | C14 | C13 | C20 | 180.0° | 179.8° |
| C14 | C8 | C5 | H2 | 177.7° | 35.0° |
| C14 | C8 | C5 | H3 | 58.4° | 155.0° |
| C14 | C8 | C9 | H4 | 179.6° | 179.8° |
| C8 | C14 | C15 | H6 | 0.3° | 0.0° |
| C9 | C8 | C14 | C13 | 0.3° | 0.4° |
| C8 | C9 | N11 | H4 | 180.0° | 179.9° |
| C8 | C9 | N11 | C13 | 0.3° | 0.0° |
| C9 | C8 | C5 | H2 | 2.3° | 145.4° |
| C9 | C8 | C5 | H3 | 121.6° | 25.4° |
| C8 | C9 | N11 | H5 | 179.7° | 180.0° |
| C22 | C17 | C18 | C20 | 179.2° | 179.6° |
| C22 | C17 | C15 | H6 | 0.9° | 0.0° |
| C22 | C17 | C18 | H7 | 0.8° | 0.0° |
| C17 | C22 | H9 | H10 | 119.0° | 120.1° |
| C17 | C22 | C25 | H11 | 61.2° | 55.0° |
| C48 | C55 | C64 | C56 | 124.6° | 120.0° |
| C48 | C55 | C64 | C60 | 121.6° | 120.0° |
| C48 | C55 | C56 | C60 | 122.5° | 120.0° |
| C55 | C48 | C46 | H22 | 0.4° | 0.0° |
| C55 | C48 | C49 | H23 | 0.2° | 0.0° |
| C48 | C55 | C56 | H26 | 180.0° | 60.0° |
| C48 | C55 | C56 | H27 | 60.0° | 180.0° |
| C48 | C55 | C56 | H28 | 60.0° | 60.1° |
| C48 | C55 | C60 | H29 | 180.0° | 60.0° |
| C48 | C55 | C60 | H30 | 60.0° | 180.0° |
| C48 | C55 | C60 | H31 | 60.0° | 60.0° |
| C48 | C55 | C64 | H32 | 180.0° | 60.0° |
| C48 | C55 | C64 | H33 | 60.0° | 180.0° |
| C48 | C55 | C64 | H34 | 60.0° | 60.0° |
| C14 | C13 | N11 | C9 | 0.1° | 0.2° |
| C14 | C13 | N11 | C20 | 179.9° | 179.8° |
| C14 | C13 | C20 | C18 | 0.2° | 0.5° |
| C14 | C13 | N11 | H5 | 179.9° | 179.7° |
| C13 | C14 | C15 | H6 | 179.8° | 179.9° |
| C14 | C13 | C20 | H8 | 179.8° | 179.7° |
| C17 | C18 | C20 | C13 | 0.1° | 0.8° |
| C17 | C18 | C20 | H7 | 180.0° | 179.5° |
| C18 | C17 | C15 | H6 | 179.6° | 179.9° |
| C17 | C18 | C20 | H8 | 179.9° | 179.9° |
| C18 | C17 | C22 | H9 | 171.0° | 29.9° |
| C18 | C17 | C22 | H10 | 51.6° | 150.0° |
| C9 | N11 | C13 | H5 | 180.0° | 179.9° |
| C9 | N11 | C13 | C20 | 179.8° | 180.0° |
| N11 | C13 | C20 | C18 | 179.7° | 179.2° |
| C13 | N11 | C9 | H4 | 179.7° | 180.0° |
| N11 | C13 | C20 | H8 | 0.3° | 0.1° |
| C13 | C20 | C18 | H8 | 180.0° | 179.2° |
| C20 | C13 | N11 | H5 | 0.2° | 0.1° |
| C13 | C20 | C18 | H7 | 180.0° | 179.7° |
| C64 | C55 | C56 | C60 | 114.1° | 120.0° |
| C64 | C55 | C56 | H26 | 56.6° | 180.0° |
| C64 | C55 | C56 | H27 | 63.4° | 60.0° |
| C64 | C55 | C56 | H28 | 176.5° | 59.9° |
| C64 | C55 | C60 | H29 | 58.3° | 60.0° |
| C64 | C55 | C60 | H30 | 178.4° | 60.0° |
| C64 | C55 | C60 | H31 | 61.7° | 180.0° |
| C55 | C64 | H32 | H33 | 120.0° | 120.0° |
| C55 | C64 | H32 | H34 | 120.0° | 120.1° |
| C55 | C64 | H33 | H34 | 120.0° | 120.0° |
| C55 | C56 | H26 | H27 | 120.0° | 120.0° |
| C55 | C56 | H26 | H28 | 120.0° | 120.1° |
| C55 | C56 | H27 | H28 | 120.0° | 120.0° |
| C56 | C55 | C60 | H29 | 56.3° | 180.0° |
| C56 | C55 | C60 | H30 | 63.7° | 60.0° |
| C56 | C55 | C60 | H31 | 176.3° | 60.0° |
| C56 | C55 | C64 | H32 | 55.4° | 60.0° |
| C56 | C55 | C64 | H33 | 175.4° | 60.0° |
| C56 | C55 | C64 | H34 | 64.6° | 180.0° |
| C60 | C55 | C56 | H26 | 57.5° | 60.0° |
| C60 | C55 | C56 | H27 | 177.5° | 60.0° |
| C60 | C55 | C56 | H28 | 62.4° | 180.0° |
| C55 | C60 | H29 | H30 | 120.0° | 120.0° |
| C55 | C60 | H29 | H31 | 120.0° | 120.0° |
| C55 | C60 | H30 | H31 | 120.0° | 120.0° |
| C60 | C55 | C64 | H32 | 58.3° | 180.0° |
| C60 | C55 | C64 | H33 | 61.6° | 60.0° |
| C60 | C55 | C64 | H34 | 178.4° | 60.0° |
| H1 | C2 | C5 | H2 | 159.5° | 65.0° |
| H1 | C2 | C5 | H3 | 81.3° | 175.0° |
| H4 | C9 | N11 | H5 | 0.3° | 0.1° |
| H7 | C18 | C20 | H8 | 0.0° | 0.5° |
| H9 | C22 | C25 | H11 | 178.4° | 65.0° |
| H10 | C22 | C25 | H11 | 59.1° | 175.0° |
| H11 | C25 | C27 | H12 | 179.2° | 170.3° |
| H11 | C25 | C35 | H16 | 66.1° | 176.3° |
| H11 | C25 | C35 | H17 | 174.3° | 63.5° |
| H12 | C27 | C29 | H13 | 179.0° | 170.5° |
| H12 | C27 | O68 | H35 | 62.0° | 60.5° |
| H13 | C29 | C31 | H14 | 176.3° | 63.3° |
| H13 | C29 | C31 | H15 | 63.5° | 176.4° |
| H13 | C29 | N40 | H18 | 175.9° | 159.2° |
| H18 | N40 | C42 | H20 | 60.6° | 64.0° |
| H18 | N40 | C42 | H21 | 59.6° | 176.1° |
| H23 | C49 | C51 | H24 | 0.1° | 0.1° |
| H24 | C51 | C53 | H25 | 0.1° | 0.0° |
| H26 | C56 | H27 | H28 | 119.9° | 120.0° |
| H29 | C60 | H30 | H31 | 120.0° | 120.0° |
| H32 | C64 | H33 | H34 | 120.0° | 120.0° |
