J6D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C42 | S39 | sing | 1.81Å | 1.75Å | |
| C36 | C35 | doub | 1.39Å | 1.38Å | Aromatic |
| C36 | N37 | sing | 1.32Å | 1.35Å | Aromatic |
| C35 | C34 | sing | 1.39Å | 1.38Å | Aromatic |
| N37 | C30 | doub | 1.32Å | 1.34Å | Aromatic |
| C31 | C29 | sing | 1.53Å | 1.52Å | |
| C31 | C32 | sing | 1.53Å | 1.49Å | |
| C34 | N33 | doub | 1.32Å | 1.34Å | Aromatic |
| O41 | S39 | doub | 1.42Å | 1.43Å | |
| C30 | N33 | sing | 1.32Å | 1.34Å | Aromatic |
| C30 | C29 | sing | 1.51Å | 1.56Å | |
| S39 | O40 | doub | 1.42Å | 1.43Å | |
| S39 | N38 | sing | 1.66Å | 1.64Å | |
| C29 | C32 | sing | 1.53Å | 1.52Å | |
| C29 | N27 | sing | 1.46Å | 1.47Å | |
| C44 | N38 | sing | 1.47Å | 1.48Å | |
| C44 | C45 | sing | 1.53Å | 1.48Å | |
| N38 | C8 | sing | 1.40Å | 1.44Å | |
| N27 | C26 | sing | 1.35Å | 1.35Å | |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.41Å | Aromatic |
| C26 | O28 | doub | 1.22Å | 1.22Å | |
| C26 | C24 | sing | 1.48Å | 1.50Å | |
| C25 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | O1 | sing | 1.35Å | 1.37Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| O1 | C2 | sing | 1.34Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | C20 | sing | 1.48Å | 1.49Å | |
| C7 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C21 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.37Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.48Å | 1.45Å | Aromatic |
| C2 | C13 | sing | 1.47Å | 1.47Å | |
| C2 | C3 | doub | 1.39Å | 1.36Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C18 | doub | 1.40Å | 1.40Å | Aromatic |
| C16 | F19 | sing | 1.35Å | 1.36Å | |
| C16 | C17 | doub | 1.39Å | 1.37Å | Aromatic |
| C3 | C10 | sing | 1.47Å | 1.47Å | |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | O11 | doub | 1.22Å | 1.23Å | |
| C10 | N12 | sing | 1.35Å | 1.33Å | |
| N12 | C43 | sing | 1.47Å | 1.46Å | |
| C18 | H52 | sing | 1.08Å | 1.08Å | |
| C17 | H51 | sing | 1.08Å | 1.08Å | |
| C15 | H50 | sing | 1.08Å | 1.08Å | |
| C21 | H53 | sing | 1.08Å | 1.08Å | |
| C22 | H54 | sing | 1.08Å | 1.08Å | |
| C23 | H55 | sing | 1.08Å | 1.08Å | |
| C34 | H62 | sing | 1.08Å | 1.08Å | |
| C6 | H46 | sing | 1.08Å | 1.08Å | |
| C9 | H47 | sing | 1.08Å | 1.08Å | |
| N12 | H48 | sing | 0.97Å | 1.00Å | |
| C14 | H49 | sing | 1.08Å | 1.08Å | |
| C25 | H56 | sing | 1.08Å | 1.08Å | |
| N27 | H57 | sing | 0.97Å | 1.00Å | |
| C31 | H59 | sing | 1.09Å | 1.10Å | |
| C31 | H58 | sing | 1.09Å | 1.10Å | |
| C32 | H61 | sing | 1.09Å | 1.10Å | |
| C32 | H60 | sing | 1.09Å | 1.10Å | |
| C35 | H63 | sing | 1.08Å | 1.08Å | |
| C36 | H64 | sing | 1.08Å | 1.08Å | |
| C42 | H65 | sing | 1.09Å | 1.10Å | |
| C42 | H67 | sing | 1.09Å | 1.10Å | |
| C42 | H66 | sing | 1.09Å | 1.10Å | |
| C43 | H69 | sing | 1.09Å | 1.10Å | |
| C43 | H70 | sing | 1.09Å | 1.10Å | |
| C43 | H68 | sing | 1.09Å | 1.10Å | |
| C44 | H72 | sing | 1.09Å | 1.10Å | |
| C44 | H71 | sing | 1.09Å | 1.10Å | |
| C45 | H74 | sing | 1.09Å | 1.10Å | |
| C45 | H73 | sing | 1.09Å | 1.10Å | |
| C45 | H75 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C42 | S39 | O41 | 108.3° | 110.5° |
| C42 | S39 | O40 | 108.8° | 110.5° |
| C42 | S39 | N38 | 106.2° | 104.4° |
| S39 | C42 | H65 | 109.5° | 109.5° |
| S39 | C42 | H67 | 109.5° | 109.5° |
| S39 | C42 | H66 | 109.5° | 109.5° |
| C35 | C36 | N37 | 123.8° | 119.1° |
| C36 | C35 | C34 | 115.4° | 118.4° |
| C36 | C35 | H63 | 122.3° | 120.8° |
| C35 | C36 | H64 | 118.1° | 120.4° |
| C36 | N37 | C30 | 115.4° | 120.8° |
| N37 | C36 | H64 | 118.1° | 120.5° |
| C35 | C34 | N33 | 123.2° | 119.1° |
| C35 | C34 | H62 | 118.4° | 120.5° |
| C34 | C35 | H63 | 122.3° | 120.8° |
| N37 | C30 | N33 | 126.2° | 121.7° |
| N37 | C30 | C29 | 117.3° | 119.1° |
| C29 | C31 | C32 | 60.6° | 60.0° |
| C31 | C29 | C30 | 115.6° | 117.5° |
| C31 | C29 | C32 | 58.9° | 60.0° |
| C31 | C29 | N27 | 119.7° | 117.5° |
| C29 | C31 | H59 | 119.9° | 117.5° |
| C29 | C31 | H58 | 119.9° | 117.5° |
| C31 | C32 | C29 | 60.5° | 60.0° |
| C32 | C31 | H59 | 119.9° | 117.5° |
| C32 | C31 | H58 | 119.9° | 117.5° |
| C31 | C32 | H61 | 119.9° | 117.5° |
| C31 | C32 | H60 | 119.9° | 117.5° |
| C34 | N33 | C30 | 116.0° | 120.9° |
| N33 | C34 | H62 | 118.4° | 120.5° |
| O41 | S39 | O40 | 118.3° | 121.0° |
| O41 | S39 | N38 | 106.9° | 104.3° |
| N33 | C30 | C29 | 116.5° | 119.2° |
| C30 | C29 | C32 | 121.8° | 117.5° |
| C30 | C29 | N27 | 113.1° | 115.6° |
| O40 | S39 | N38 | 107.6° | 104.3° |
| S39 | N38 | C44 | 122.2° | 120.0° |
| S39 | N38 | C8 | 118.8° | 120.0° |
| C32 | C29 | N27 | 117.5° | 117.5° |
| C29 | C32 | H61 | 119.9° | 117.5° |
| C29 | C32 | H60 | 119.9° | 117.5° |
| C29 | N27 | C26 | 123.6° | 120.0° |
| C29 | N27 | H57 | 118.2° | 120.0° |
| N38 | C44 | C45 | 116.2° | 109.5° |
| C44 | N38 | C8 | 118.5° | 120.0° |
| N38 | C44 | H72 | 107.7° | 109.4° |
| N38 | C44 | H71 | 107.8° | 109.5° |
| C45 | C44 | H72 | 107.8° | 109.4° |
| C45 | C44 | H71 | 107.8° | 109.5° |
| C44 | C45 | H74 | 109.5° | 109.4° |
| C44 | C45 | H73 | 109.4° | 109.4° |
| C44 | C45 | H75 | 109.5° | 109.5° |
| N38 | C8 | C9 | 115.2° | 119.8° |
| N38 | C8 | C7 | 121.6° | 119.8° |
| N27 | C26 | O28 | 122.1° | 120.0° |
| N27 | C26 | C24 | 117.4° | 120.0° |
| C26 | N27 | H57 | 118.3° | 120.0° |
| C8 | C9 | C5 | 115.9° | 120.2° |
| C9 | C8 | C7 | 123.1° | 120.4° |
| C8 | C9 | H47 | 122.1° | 119.9° |
| C9 | C5 | O1 | 125.8° | 132.5° |
| C9 | C5 | C4 | 123.6° | 119.5° |
| C5 | C9 | H47 | 122.1° | 119.9° |
| C8 | C7 | C20 | 124.4° | 120.1° |
| C8 | C7 | C6 | 118.2° | 119.8° |
| O28 | C26 | C24 | 120.4° | 120.0° |
| C26 | C24 | C25 | 121.8° | 120.1° |
| C26 | C24 | C23 | 118.8° | 120.1° |
| C24 | C25 | C20 | 120.9° | 119.7° |
| C25 | C24 | C23 | 119.2° | 119.9° |
| C24 | C25 | H56 | 119.5° | 120.2° |
| C25 | C20 | C7 | 121.0° | 120.1° |
| C25 | C20 | C21 | 118.5° | 119.9° |
| C20 | C25 | H56 | 119.6° | 120.1° |
| O1 | C5 | C4 | 110.6° | 108.0° |
| C5 | O1 | C2 | 106.5° | 111.5° |
| C5 | C4 | C6 | 119.3° | 120.5° |
| C5 | C4 | C3 | 105.7° | 105.7° |
| O1 | C2 | C13 | 114.3° | 125.3° |
| O1 | C2 | C3 | 110.8° | 109.3° |
| C24 | C23 | C22 | 120.3° | 120.1° |
| C24 | C23 | H55 | 119.8° | 120.0° |
| C20 | C7 | C6 | 117.2° | 120.1° |
| C7 | C20 | C21 | 120.4° | 120.0° |
| C7 | C6 | C4 | 119.9° | 119.7° |
| C7 | C6 | H46 | 120.0° | 120.2° |
| C20 | C21 | C22 | 120.8° | 120.1° |
| C20 | C21 | H53 | 119.6° | 119.9° |
| C15 | C14 | C13 | 120.9° | 119.8° |
| C14 | C15 | C16 | 118.4° | 120.2° |
| C14 | C15 | H50 | 120.8° | 119.9° |
| C15 | C14 | H49 | 119.5° | 120.1° |
| C14 | C13 | C2 | 120.3° | 120.1° |
| C14 | C13 | C18 | 118.6° | 119.7° |
| C13 | C14 | H49 | 119.5° | 120.1° |
| C15 | C16 | F19 | 118.4° | 119.9° |
| C15 | C16 | C17 | 122.9° | 120.2° |
| C16 | C15 | H50 | 120.8° | 119.9° |
| C23 | C22 | C21 | 120.0° | 120.3° |
| C23 | C22 | H54 | 120.0° | 119.9° |
| C22 | C23 | H55 | 119.8° | 119.9° |
| C6 | C4 | C3 | 135.1° | 133.8° |
| C4 | C6 | H46 | 120.0° | 120.2° |
| C4 | C3 | C2 | 106.4° | 105.5° |
| C4 | C3 | C10 | 122.6° | 127.3° |
| C13 | C2 | C3 | 134.7° | 125.4° |
| C2 | C13 | C18 | 121.0° | 120.2° |
| C2 | C3 | C10 | 130.9° | 127.3° |
| C22 | C21 | H53 | 119.6° | 120.0° |
| C21 | C22 | H54 | 120.0° | 119.8° |
| C13 | C18 | C17 | 120.8° | 119.9° |
| C13 | C18 | H52 | 119.6° | 120.1° |
| F19 | C16 | C17 | 118.6° | 119.9° |
| C16 | C17 | C18 | 118.3° | 120.1° |
| C16 | C17 | H51 | 120.8° | 119.9° |
| C3 | C10 | O11 | 120.0° | 120.0° |
| C3 | C10 | N12 | 117.1° | 120.0° |
| C17 | C18 | H52 | 119.6° | 120.0° |
| C18 | C17 | H51 | 120.9° | 120.0° |
| O11 | C10 | N12 | 122.8° | 120.0° |
| C10 | N12 | C43 | 121.9° | 120.0° |
| C10 | N12 | H48 | 119.0° | 120.0° |
| C43 | N12 | H48 | 119.1° | 120.0° |
| N12 | C43 | H69 | 109.5° | 109.5° |
| N12 | C43 | H70 | 109.4° | 109.5° |
| N12 | C43 | H68 | 109.5° | 109.5° |
| H59 | C31 | H58 | 109.5° | 115.6° |
| H61 | C32 | H60 | 109.5° | 115.5° |
| H65 | C42 | H67 | 109.5° | 109.5° |
| H65 | C42 | H66 | 109.5° | 109.4° |
| H67 | C42 | H66 | 109.5° | 109.5° |
| H69 | C43 | H70 | 109.5° | 109.5° |
| H69 | C43 | H68 | 109.5° | 109.5° |
| H70 | C43 | H68 | 109.5° | 109.5° |
| H72 | C44 | H71 | 109.5° | 109.5° |
| H74 | C45 | H73 | 109.5° | 109.5° |
| H74 | C45 | H75 | 109.5° | 109.5° |
| H73 | C45 | H75 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C42 | S39 | O41 | O40 | 124.4° | 131.5° |
| C42 | S39 | O41 | N38 | 114.1° | 111.7° |
| C42 | S39 | O40 | N38 | 114.7° | 111.7° |
| C42 | S39 | N38 | C44 | 67.2° | 81.6° |
| C42 | S39 | N38 | C8 | 104.2° | 98.4° |
| S39 | C42 | H65 | H67 | 120.0° | 120.0° |
| S39 | C42 | H65 | H66 | 120.0° | 120.0° |
| S39 | C42 | H67 | H66 | 120.0° | 120.0° |
| C35 | C36 | N37 | H64 | 180.0° | 180.0° |
| C36 | C35 | C34 | H63 | 180.0° | 180.0° |
| C35 | C36 | N37 | C30 | 0.8° | 0.3° |
| C36 | C35 | C34 | N33 | 0.4° | 0.0° |
| C36 | C35 | C34 | H62 | 179.6° | 179.8° |
| N37 | C36 | C35 | C34 | 0.9° | 0.0° |
| C36 | N37 | C30 | N33 | 0.3° | 0.6° |
| C36 | N37 | C30 | C29 | 177.7° | 180.0° |
| N37 | C36 | C35 | H63 | 179.1° | 180.0° |
| C35 | C34 | N33 | H62 | 180.0° | 179.8° |
| C35 | C34 | N33 | C30 | 0.1° | 0.3° |
| C34 | C35 | C36 | H64 | 179.2° | 180.0° |
| N37 | C30 | C29 | C31 | 47.6° | 63.1° |
| N37 | C30 | N33 | C34 | 0.1° | 0.6° |
| N37 | C30 | N33 | C29 | 178.1° | 179.4° |
| N37 | C30 | C29 | C32 | 20.2° | 5.5° |
| N37 | C30 | C29 | N27 | 169.1° | 151.3° |
| C30 | N37 | C36 | H64 | 179.2° | 179.8° |
| C29 | C31 | C32 | H59 | 109.7° | 107.5° |
| C29 | C31 | C32 | H58 | 109.6° | 107.5° |
| C31 | C29 | C30 | N33 | 130.6° | 116.4° |
| C31 | C29 | C30 | C32 | 67.8° | 68.6° |
| C31 | C29 | C30 | N27 | 143.3° | 145.7° |
| C31 | C29 | C32 | N27 | 109.8° | 107.5° |
| C31 | C29 | N27 | C26 | 149.4° | 124.7° |
| C31 | C29 | N27 | H57 | 30.6° | 55.4° |
| C29 | C31 | H59 | H58 | 144.4° | 145.7° |
| C29 | C31 | C32 | H61 | 109.6° | 107.5° |
| C29 | C31 | C32 | H60 | 109.6° | 107.5° |
| C32 | C31 | H59 | H58 | 144.4° | 145.7° |
| C31 | C32 | H61 | H60 | 144.4° | 145.7° |
| C34 | N33 | C30 | C29 | 178.2° | 180.0° |
| N33 | C34 | C35 | H63 | 179.6° | 180.0° |
| O41 | S39 | O40 | N38 | 121.1° | 116.8° |
| O41 | S39 | N38 | C44 | 48.3° | 162.3° |
| O41 | S39 | N38 | C8 | 140.3° | 17.6° |
| O41 | S39 | C42 | H65 | 180.0° | 68.4° |
| O41 | S39 | C42 | H67 | 60.0° | 51.6° |
| O41 | S39 | C42 | H66 | 60.0° | 171.6° |
| N33 | C30 | C29 | C32 | 161.5° | 175.0° |
| N33 | C30 | C29 | N27 | 12.7° | 29.3° |
| C30 | N33 | C34 | H62 | 179.9° | 179.9° |
| C30 | C29 | C32 | N27 | 147.6° | 145.1° |
| C30 | C29 | N27 | C26 | 69.0° | 89.6° |
| C30 | C29 | N27 | H57 | 111.0° | 90.3° |
| C30 | C29 | C31 | H59 | 137.2° | 145.0° |
| C30 | C29 | C31 | H58 | 3.5° | 0.0° |
| C30 | C29 | C32 | H61 | 147.7° | 0.0° |
| C30 | C29 | C32 | H60 | 6.9° | 145.0° |
| O40 | S39 | N38 | C44 | 176.4° | 34.5° |
| O40 | S39 | N38 | C8 | 12.3° | 145.5° |
| O40 | S39 | C42 | H65 | 50.1° | 68.3° |
| O40 | S39 | C42 | H67 | 170.1° | 171.6° |
| O40 | S39 | C42 | H66 | 69.9° | 51.6° |
| S39 | N38 | C44 | C8 | 171.4° | 179.9° |
| S39 | N38 | C44 | C45 | 128.4° | 95.0° |
| S39 | N38 | C8 | C9 | 80.2° | 84.9° |
| S39 | N38 | C8 | C7 | 100.6° | 95.1° |
| N38 | S39 | C42 | H65 | 65.5° | 180.0° |
| N38 | S39 | C42 | H67 | 54.5° | 60.0° |
| N38 | S39 | C42 | H66 | 174.5° | 60.0° |
| S39 | N38 | C44 | H72 | 7.4° | 25.0° |
| S39 | N38 | C44 | H71 | 110.7° | 145.0° |
| C32 | C29 | N27 | C26 | 81.3° | 56.2° |
| C32 | C29 | N27 | H57 | 98.7° | 123.9° |
| C29 | C32 | H61 | H60 | 144.5° | 145.6° |
| C29 | N27 | C26 | H57 | 180.0° | 179.9° |
| C29 | N27 | C26 | O28 | 6.6° | 4.9° |
| C29 | N27 | C26 | C24 | 177.2° | 175.1° |
| N27 | C29 | C31 | H59 | 3.5° | 0.0° |
| N27 | C29 | C31 | H58 | 144.3° | 145.0° |
| N27 | C29 | C32 | H61 | 0.1° | 145.0° |
| N27 | C29 | C32 | H60 | 140.7° | 0.1° |
| N38 | C44 | C45 | H72 | 121.0° | 119.9° |
| N38 | C44 | C45 | H71 | 121.0° | 120.0° |
| C44 | N38 | C8 | C9 | 91.5° | 95.2° |
| C44 | N38 | C8 | C7 | 87.7° | 84.9° |
| N38 | C44 | H72 | H71 | 117.0° | 120.0° |
| N38 | C44 | C45 | H74 | 180.0° | 180.0° |
| N38 | C44 | C45 | H73 | 60.0° | 60.1° |
| N38 | C44 | C45 | H75 | 60.0° | 60.0° |
| C45 | C44 | N38 | C8 | 60.2° | 85.0° |
| C45 | C44 | H72 | H71 | 116.9° | 120.1° |
| C44 | C45 | H74 | H73 | 120.0° | 119.9° |
| C44 | C45 | H74 | H75 | 120.0° | 120.0° |
| C44 | C45 | H73 | H75 | 120.0° | 120.0° |
| N38 | C8 | C9 | C7 | 179.2° | 180.0° |
| N38 | C8 | C9 | C5 | 178.4° | 180.0° |
| N38 | C8 | C7 | C20 | 4.7° | 0.1° |
| N38 | C8 | C7 | C6 | 179.3° | 180.0° |
| N38 | C8 | C9 | H47 | 1.6° | 0.0° |
| C8 | N38 | C44 | H72 | 178.8° | 155.1° |
| C8 | N38 | C44 | H71 | 60.7° | 35.1° |
| N27 | C26 | O28 | C24 | 176.1° | 180.0° |
| N27 | C26 | C24 | C25 | 29.7° | 179.7° |
| N27 | C26 | C24 | C23 | 146.6° | 0.1° |
| C8 | C9 | C5 | H47 | 180.0° | 180.0° |
| C8 | C9 | C5 | O1 | 179.9° | 180.0° |
| C8 | C9 | C5 | C4 | 0.5° | 0.0° |
| C9 | C8 | C7 | C20 | 174.4° | 180.0° |
| C9 | C8 | C7 | C6 | 0.2° | 0.0° |
| C5 | C9 | C8 | C7 | 0.8° | 0.0° |
| C9 | C5 | O1 | C4 | 179.4° | 180.0° |
| C9 | C5 | O1 | C2 | 178.7° | 180.0° |
| C9 | C5 | C4 | C6 | 0.7° | 0.0° |
| C9 | C5 | C4 | C3 | 179.7° | 180.0° |
| C8 | C7 | C20 | C25 | 56.2° | 124.0° |
| C8 | C7 | C20 | C6 | 174.7° | 179.9° |
| C8 | C7 | C20 | C21 | 122.5° | 56.3° |
| C8 | C7 | C6 | C4 | 1.5° | 0.0° |
| C8 | C7 | C6 | H46 | 178.5° | 180.0° |
| C7 | C8 | C9 | H47 | 179.2° | 180.0° |
| O28 | C26 | C24 | C25 | 154.0° | 0.3° |
| O28 | C26 | C24 | C23 | 29.6° | 180.0° |
| O28 | C26 | N27 | H57 | 173.4° | 175.0° |
| C26 | C24 | C25 | C23 | 176.3° | 179.7° |
| C26 | C24 | C25 | C20 | 172.4° | 179.7° |
| C26 | C24 | C23 | C22 | 174.5° | 180.0° |
| C26 | C24 | C23 | H55 | 5.6° | 0.1° |
| C26 | C24 | C25 | H56 | 7.6° | 0.3° |
| C24 | C26 | N27 | H57 | 2.8° | 5.0° |
| C24 | C25 | C20 | H56 | 180.0° | 179.4° |
| C24 | C25 | C20 | C7 | 176.0° | 179.8° |
| C24 | C25 | C20 | C21 | 2.7° | 0.5° |
| C25 | C24 | C23 | C22 | 2.0° | 0.3° |
| C25 | C24 | C23 | H55 | 178.0° | 179.7° |
| C20 | C25 | C24 | C23 | 3.9° | 0.5° |
| C25 | C20 | C7 | C21 | 178.7° | 179.6° |
| C25 | C20 | C7 | C6 | 129.2° | 55.9° |
| C25 | C20 | C21 | C22 | 0.5° | 0.3° |
| C25 | C20 | C21 | H53 | 179.5° | 179.7° |
| O1 | C5 | C4 | C6 | 178.7° | 180.0° |
| O1 | C5 | C4 | C3 | 0.3° | 0.0° |
| C5 | O1 | C2 | C13 | 174.4° | 180.0° |
| C5 | O1 | C2 | C3 | 1.5° | 0.0° |
| O1 | C5 | C9 | H47 | 0.1° | 0.0° |
| C4 | C5 | O1 | C2 | 0.7° | 0.0° |
| C5 | C4 | C6 | C7 | 1.8° | 0.0° |
| C5 | C4 | C6 | C3 | 178.6° | 180.0° |
| C5 | C4 | C3 | C2 | 1.2° | 0.0° |
| C5 | C4 | C3 | C10 | 179.8° | 180.0° |
| C5 | C4 | C6 | H46 | 178.3° | 180.0° |
| C4 | C5 | C9 | H47 | 179.5° | 180.0° |
| O1 | C2 | C13 | C14 | 20.2° | 179.6° |
| O1 | C2 | C3 | C4 | 1.7° | 0.0° |
| O1 | C2 | C13 | C3 | 174.7° | 179.9° |
| O1 | C2 | C13 | C18 | 157.2° | 0.0° |
| O1 | C2 | C3 | C10 | 179.8° | 179.9° |
| C24 | C23 | C22 | H55 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 1.2° | 0.0° |
| C24 | C23 | C22 | H54 | 178.8° | 180.0° |
| C23 | C24 | C25 | H56 | 176.0° | 179.9° |
| C20 | C7 | C6 | C4 | 173.5° | 180.0° |
| C7 | C20 | C21 | C22 | 179.2° | 179.9° |
| C7 | C20 | C21 | H53 | 0.8° | 0.1° |
| C20 | C7 | C6 | H46 | 6.5° | 0.1° |
| C7 | C20 | C25 | H56 | 4.0° | 0.4° |
| C6 | C7 | C20 | C21 | 52.2° | 123.8° |
| C7 | C6 | C4 | H46 | 180.0° | 179.9° |
| C7 | C6 | C4 | C3 | 179.6° | 180.0° |
| C20 | C21 | C22 | C23 | 2.4° | 0.0° |
| C20 | C21 | C22 | H53 | 180.0° | 180.0° |
| C20 | C21 | C22 | H54 | 177.6° | 180.0° |
| C21 | C20 | C25 | H56 | 177.3° | 180.0° |
| C15 | C14 | C13 | H49 | 180.0° | 179.6° |
| C14 | C15 | C16 | H50 | 180.0° | 179.8° |
| C15 | C14 | C13 | C2 | 176.5° | 179.8° |
| C15 | C14 | C13 | C18 | 0.9° | 0.5° |
| C14 | C15 | C16 | F19 | 176.4° | 179.9° |
| C14 | C15 | C16 | C17 | 1.1° | 0.2° |
| C13 | C14 | C15 | C16 | 2.0° | 0.4° |
| C14 | C13 | C2 | C18 | 177.3° | 179.7° |
| C14 | C13 | C2 | C3 | 165.1° | 0.3° |
| C14 | C13 | C18 | C17 | 1.1° | 0.3° |
| C14 | C13 | C18 | H52 | 178.8° | 179.7° |
| C13 | C14 | C15 | H50 | 178.0° | 179.8° |
| C15 | C16 | F19 | C17 | 177.6° | 180.0° |
| C15 | C16 | C17 | C18 | 0.9° | 0.0° |
| C15 | C16 | C17 | H51 | 179.1° | 179.9° |
| C16 | C15 | C14 | H49 | 178.0° | 180.0° |
| C23 | C22 | C21 | H54 | 180.0° | 180.0° |
| C23 | C22 | C21 | H53 | 177.5° | 180.0° |
| C6 | C4 | C3 | C2 | 177.6° | 180.0° |
| C6 | C4 | C3 | C10 | 1.0° | 0.0° |
| C4 | C3 | C2 | C13 | 173.1° | 180.0° |
| C4 | C3 | C2 | C10 | 178.5° | 180.0° |
| C4 | C3 | C10 | O11 | 52.6° | 90.0° |
| C4 | C3 | C10 | N12 | 125.7° | 90.0° |
| C3 | C4 | C6 | H46 | 0.4° | 0.0° |
| C13 | C2 | C3 | C10 | 5.3° | 0.0° |
| C2 | C13 | C18 | C17 | 178.5° | 180.0° |
| C2 | C13 | C18 | H52 | 1.4° | 0.0° |
| C2 | C13 | C14 | H49 | 3.5° | 0.3° |
| C3 | C2 | C13 | C18 | 17.5° | 180.0° |
| C2 | C3 | C10 | O11 | 125.7° | 90.0° |
| C2 | C3 | C10 | N12 | 56.0° | 90.0° |
| C21 | C22 | C23 | H55 | 178.8° | 179.9° |
| C13 | C18 | C17 | C16 | 2.0° | 0.0° |
| C13 | C18 | C17 | H52 | 180.0° | 180.0° |
| C13 | C18 | C17 | H51 | 178.0° | 180.0° |
| C18 | C13 | C14 | H49 | 179.1° | 179.9° |
| F19 | C16 | C17 | C18 | 178.4° | 179.9° |
| F19 | C16 | C17 | H51 | 1.6° | 0.1° |
| F19 | C16 | C15 | H50 | 3.6° | 0.1° |
| C16 | C17 | C18 | H51 | 180.0° | 180.0° |
| C16 | C17 | C18 | H52 | 177.9° | 179.9° |
| C17 | C16 | C15 | H50 | 178.9° | 180.0° |
| C3 | C10 | O11 | N12 | 178.2° | 180.0° |
| C3 | C10 | N12 | C43 | 175.0° | 180.0° |
| C3 | C10 | N12 | H48 | 5.0° | 0.1° |
| O11 | C10 | N12 | C43 | 6.7° | 0.0° |
| O11 | C10 | N12 | H48 | 173.3° | 180.0° |
| C10 | N12 | C43 | H48 | 180.0° | 180.0° |
| C10 | N12 | C43 | H69 | 180.0° | 180.0° |
| C10 | N12 | C43 | H70 | 60.0° | 60.0° |
| C10 | N12 | C43 | H68 | 60.0° | 60.0° |
| N12 | C43 | H69 | H70 | 120.0° | 120.0° |
| N12 | C43 | H69 | H68 | 120.0° | 120.0° |
| N12 | C43 | H70 | H68 | 120.0° | 120.0° |
| H52 | C18 | C17 | H51 | 2.0° | 0.0° |
| H50 | C15 | C14 | H49 | 2.0° | 0.2° |
| H53 | C21 | C22 | H54 | 2.5° | 0.0° |
| H54 | C22 | C23 | H55 | 1.1° | 0.0° |
| H62 | C34 | C35 | H63 | 0.4° | 0.2° |
| H48 | N12 | C43 | H69 | 0.0° | 0.0° |
| H48 | N12 | C43 | H70 | 120.0° | 120.0° |
| H48 | N12 | C43 | H68 | 120.0° | 120.0° |
| H59 | C31 | C32 | H61 | 0.0° | 145.0° |
| H59 | C31 | C32 | H60 | 140.7° | 0.0° |
| H58 | C31 | C32 | H61 | 140.8° | 0.0° |
| H58 | C31 | C32 | H60 | 0.0° | 145.0° |
| H63 | C35 | C36 | H64 | 0.9° | 0.0° |
| H65 | C42 | H67 | H66 | 120.0° | 120.0° |
| H69 | C43 | H70 | H68 | 120.0° | 120.0° |
| H72 | C44 | C45 | H74 | 59.1° | 60.0° |
| H72 | C44 | C45 | H73 | 179.0° | 180.0° |
| H72 | C44 | C45 | H75 | 61.0° | 59.9° |
| H71 | C44 | C45 | H74 | 59.0° | 60.0° |
| H71 | C44 | C45 | H73 | 61.0° | 60.0° |
| H71 | C44 | C45 | H75 | 179.0° | 180.0° |
| H74 | C45 | H73 | H75 | 120.0° | 120.1° |
