J6J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C44 | O43 | sing | 1.43Å | 1.43Å | |
| C33 | C31 | sing | 1.53Å | 1.52Å | |
| C33 | C32 | sing | 1.53Å | 1.50Å | |
| F42 | C37 | sing | 1.35Å | 1.36Å | |
| O43 | C24 | sing | 1.36Å | 1.37Å | |
| C37 | C38 | doub | 1.39Å | 1.38Å | Aromatic |
| C37 | C36 | sing | 1.39Å | 1.39Å | Aromatic |
| C38 | N39 | sing | 1.32Å | 1.34Å | Aromatic |
| N39 | C34 | doub | 1.32Å | 1.34Å | Aromatic |
| C36 | N35 | doub | 1.32Å | 1.34Å | Aromatic |
| N35 | C34 | sing | 1.32Å | 1.34Å | Aromatic |
| C34 | C31 | sing | 1.51Å | 1.54Å | |
| C31 | N28 | sing | 1.46Å | 1.47Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| N28 | C27 | sing | 1.35Å | 1.35Å | |
| C24 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.40Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C25 | sing | 1.48Å | 1.50Å | |
| C27 | O29 | doub | 1.22Å | 1.23Å | |
| C25 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C20 | doub | 1.40Å | 1.39Å | Aromatic |
| C26 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C7 | sing | 1.48Å | 1.49Å | |
| N30 | C40 | sing | 1.47Å | 1.45Å | |
| N30 | C8 | sing | 1.40Å | 1.40Å | |
| C7 | C8 | doub | 1.40Å | 1.42Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C40 | C41 | sing | 1.53Å | 1.50Å | |
| C8 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.48Å | 1.46Å | Aromatic |
| C9 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| O11 | C10 | doub | 1.22Å | 1.23Å | |
| C5 | O1 | sing | 1.35Å | 1.38Å | Aromatic |
| C10 | C3 | sing | 1.47Å | 1.50Å | |
| C10 | N12 | sing | 1.35Å | 1.33Å | |
| C3 | C2 | doub | 1.39Å | 1.37Å | Aromatic |
| N12 | C21 | sing | 1.46Å | 1.45Å | |
| O1 | C2 | sing | 1.34Å | 1.38Å | Aromatic |
| C2 | C13 | sing | 1.48Å | 1.47Å | |
| C13 | C18 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.37Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | F19 | sing | 1.35Å | 1.36Å | |
| C18 | H51 | sing | 1.08Å | 1.08Å | |
| C17 | H50 | sing | 1.08Å | 1.08Å | |
| C15 | H49 | sing | 1.08Å | 1.08Å | |
| C21 | H54 | sing | 1.09Å | 1.10Å | |
| C21 | H52 | sing | 1.09Å | 1.10Å | |
| C21 | H53 | sing | 1.09Å | 1.10Å | |
| C22 | H55 | sing | 1.08Å | 1.08Å | |
| C23 | H56 | sing | 1.08Å | 1.08Å | |
| C33 | H62 | sing | 1.09Å | 1.10Å | |
| C33 | H63 | sing | 1.09Å | 1.10Å | |
| C6 | H45 | sing | 1.08Å | 1.08Å | |
| C9 | H46 | sing | 1.08Å | 1.08Å | |
| N12 | H47 | sing | 0.97Å | 1.00Å | |
| C14 | H48 | sing | 1.08Å | 1.08Å | |
| C26 | H57 | sing | 1.08Å | 1.08Å | |
| N28 | H58 | sing | 0.97Å | 1.00Å | |
| N30 | H59 | sing | 0.97Å | 1.00Å | |
| C32 | H60 | sing | 1.09Å | 1.10Å | |
| C32 | H61 | sing | 1.09Å | 1.10Å | |
| C36 | H64 | sing | 1.08Å | 1.08Å | |
| C38 | H65 | sing | 1.08Å | 1.08Å | |
| C40 | H67 | sing | 1.09Å | 1.10Å | |
| C40 | H66 | sing | 1.09Å | 1.10Å | |
| C41 | H69 | sing | 1.09Å | 1.10Å | |
| C41 | H68 | sing | 1.09Å | 1.10Å | |
| C41 | H70 | sing | 1.09Å | 1.10Å | |
| C44 | H71 | sing | 1.09Å | 1.10Å | |
| C44 | H72 | sing | 1.09Å | 1.10Å | |
| C44 | H73 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C44 | O43 | C24 | 117.9° | 117.0° |
| O43 | C44 | H71 | 109.5° | 109.5° |
| O43 | C44 | H72 | 109.5° | 109.4° |
| O43 | C44 | H73 | 109.4° | 109.4° |
| C31 | C33 | C32 | 60.5° | 60.0° |
| C33 | C31 | C34 | 119.0° | 117.5° |
| C33 | C31 | N28 | 118.2° | 117.5° |
| C33 | C31 | C32 | 59.1° | 60.0° |
| C31 | C33 | H62 | 119.9° | 117.4° |
| C31 | C33 | H63 | 119.9° | 117.5° |
| C33 | C32 | C31 | 60.5° | 60.0° |
| C32 | C33 | H62 | 119.9° | 117.5° |
| C32 | C33 | H63 | 119.9° | 117.5° |
| C33 | C32 | H60 | 120.0° | 117.5° |
| C33 | C32 | H61 | 119.9° | 117.5° |
| F42 | C37 | C38 | 120.9° | 120.9° |
| F42 | C37 | C36 | 121.2° | 120.8° |
| O43 | C24 | C23 | 124.0° | 120.0° |
| O43 | C24 | C25 | 115.6° | 120.0° |
| C38 | C37 | C36 | 117.7° | 118.3° |
| C37 | C38 | N39 | 121.9° | 119.1° |
| C37 | C38 | H65 | 119.0° | 120.5° |
| C37 | C36 | N35 | 121.7° | 119.1° |
| C37 | C36 | H64 | 119.2° | 120.5° |
| C38 | N39 | C34 | 115.7° | 120.8° |
| N39 | C38 | H65 | 119.0° | 120.4° |
| N39 | C34 | N35 | 127.3° | 121.8° |
| N39 | C34 | C31 | 115.9° | 119.1° |
| C36 | N35 | C34 | 115.7° | 120.8° |
| N35 | C36 | H64 | 119.1° | 120.5° |
| N35 | C34 | C31 | 116.8° | 119.1° |
| C34 | C31 | N28 | 111.6° | 115.5° |
| C34 | C31 | C32 | 120.0° | 117.5° |
| N28 | C31 | C32 | 119.8° | 117.5° |
| C31 | N28 | C27 | 121.6° | 120.0° |
| C31 | N28 | H58 | 119.2° | 120.0° |
| C31 | C32 | H60 | 119.9° | 117.5° |
| C31 | C32 | H61 | 119.9° | 117.6° |
| N28 | C27 | C25 | 118.3° | 120.0° |
| N28 | C27 | O29 | 120.9° | 120.0° |
| C27 | N28 | H58 | 119.2° | 120.0° |
| C23 | C24 | C25 | 120.4° | 120.0° |
| C24 | C23 | C22 | 120.0° | 120.2° |
| C24 | C23 | H56 | 120.0° | 119.9° |
| C24 | C25 | C27 | 127.1° | 120.2° |
| C24 | C25 | C26 | 118.1° | 119.8° |
| C23 | C22 | C20 | 120.9° | 120.3° |
| C23 | C22 | H55 | 119.5° | 119.9° |
| C22 | C23 | H56 | 120.0° | 119.9° |
| C25 | C27 | O29 | 120.8° | 120.0° |
| C27 | C25 | C26 | 114.8° | 120.1° |
| C25 | C26 | C20 | 122.2° | 119.8° |
| C25 | C26 | H57 | 118.9° | 120.2° |
| C22 | C20 | C26 | 118.3° | 120.0° |
| C22 | C20 | C7 | 122.0° | 120.0° |
| C20 | C22 | H55 | 119.5° | 119.9° |
| C26 | C20 | C7 | 119.6° | 120.0° |
| C20 | C26 | H57 | 118.9° | 120.1° |
| C20 | C7 | C8 | 121.3° | 120.1° |
| C20 | C7 | C6 | 118.3° | 120.1° |
| C40 | N30 | C8 | 124.3° | 120.0° |
| N30 | C40 | C41 | 111.4° | 109.4° |
| C40 | N30 | H59 | 105.7° | 120.0° |
| N30 | C40 | H67 | 109.0° | 109.5° |
| N30 | C40 | H66 | 109.0° | 109.5° |
| N30 | C8 | C7 | 119.8° | 119.8° |
| N30 | C8 | C9 | 120.3° | 119.8° |
| C8 | N30 | H59 | 105.6° | 120.0° |
| C8 | C7 | C6 | 119.8° | 119.9° |
| C7 | C8 | C9 | 119.8° | 120.4° |
| C7 | C6 | C4 | 120.0° | 119.6° |
| C7 | C6 | H45 | 120.0° | 120.2° |
| C41 | C40 | H67 | 109.0° | 109.4° |
| C41 | C40 | H66 | 109.0° | 109.5° |
| C40 | C41 | H69 | 109.5° | 109.4° |
| C40 | C41 | H68 | 109.5° | 109.5° |
| C40 | C41 | H70 | 109.5° | 109.5° |
| C8 | C9 | C5 | 118.4° | 120.1° |
| C8 | C9 | H46 | 120.8° | 119.9° |
| C6 | C4 | C5 | 118.9° | 120.6° |
| C6 | C4 | C3 | 135.7° | 133.7° |
| C4 | C6 | H45 | 120.0° | 120.2° |
| C5 | C4 | C3 | 105.4° | 105.7° |
| C4 | C5 | C9 | 123.1° | 119.5° |
| C4 | C5 | O1 | 110.7° | 108.1° |
| C4 | C3 | C10 | 124.2° | 127.3° |
| C4 | C3 | C2 | 106.4° | 105.4° |
| C9 | C5 | O1 | 126.2° | 132.5° |
| C5 | C9 | H46 | 120.8° | 120.0° |
| O11 | C10 | C3 | 120.8° | 120.0° |
| O11 | C10 | N12 | 122.8° | 120.0° |
| C5 | O1 | C2 | 106.5° | 111.4° |
| C3 | C10 | N12 | 116.4° | 120.0° |
| C10 | C3 | C2 | 129.3° | 127.3° |
| C10 | N12 | C21 | 122.1° | 120.0° |
| C10 | N12 | H47 | 119.0° | 120.0° |
| C3 | C2 | O1 | 111.0° | 109.4° |
| C3 | C2 | C13 | 134.8° | 125.3° |
| N12 | C21 | H54 | 109.5° | 109.5° |
| N12 | C21 | H52 | 109.5° | 109.5° |
| N12 | C21 | H53 | 109.5° | 109.5° |
| C21 | N12 | H47 | 118.9° | 120.0° |
| O1 | C2 | C13 | 114.1° | 125.3° |
| C2 | C13 | C18 | 120.4° | 120.1° |
| C2 | C13 | C14 | 120.9° | 120.1° |
| C18 | C13 | C14 | 118.7° | 119.7° |
| C13 | C18 | C17 | 120.8° | 119.9° |
| C13 | C18 | H51 | 119.6° | 120.1° |
| C13 | C14 | C15 | 120.8° | 119.9° |
| C13 | C14 | H48 | 119.6° | 120.1° |
| C18 | C17 | C16 | 118.3° | 120.1° |
| C17 | C18 | H51 | 119.6° | 120.1° |
| C18 | C17 | H50 | 120.8° | 120.0° |
| C14 | C15 | C16 | 118.2° | 120.1° |
| C14 | C15 | H49 | 120.9° | 119.9° |
| C15 | C14 | H48 | 119.6° | 120.1° |
| C17 | C16 | C15 | 122.9° | 120.3° |
| C17 | C16 | F19 | 118.3° | 119.9° |
| C16 | C17 | H50 | 120.8° | 119.9° |
| C15 | C16 | F19 | 118.6° | 119.9° |
| C16 | C15 | H49 | 120.9° | 119.9° |
| H54 | C21 | H52 | 109.4° | 109.4° |
| H54 | C21 | H53 | 109.5° | 109.5° |
| H52 | C21 | H53 | 109.5° | 109.4° |
| H62 | C33 | H63 | 109.5° | 115.6° |
| H60 | C32 | H61 | 109.5° | 115.5° |
| H67 | C40 | H66 | 109.4° | 109.5° |
| H69 | C41 | H68 | 109.5° | 109.5° |
| H69 | C41 | H70 | 109.4° | 109.4° |
| H68 | C41 | H70 | 109.5° | 109.5° |
| H71 | C44 | H72 | 109.5° | 109.5° |
| H71 | C44 | H73 | 109.4° | 109.5° |
| H72 | C44 | H73 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C44 | O43 | C24 | C23 | 22.6° | 0.0° |
| C44 | O43 | C24 | C25 | 156.2° | 179.9° |
| O43 | C44 | H71 | H72 | 120.0° | 120.0° |
| O43 | C44 | H71 | H73 | 120.0° | 120.0° |
| O43 | C44 | H72 | H73 | 120.0° | 119.9° |
| C31 | C33 | C32 | H62 | 109.6° | 107.4° |
| C31 | C33 | C32 | H63 | 109.6° | 107.5° |
| C33 | C31 | C34 | N39 | 129.5° | 5.2° |
| C33 | C31 | C34 | N35 | 52.6° | 175.1° |
| C33 | C31 | C34 | N28 | 143.2° | 145.7° |
| C33 | C31 | C34 | C32 | 69.0° | 68.6° |
| C33 | C31 | N28 | C32 | 68.6° | 68.7° |
| C33 | C31 | N28 | C27 | 135.1° | 80.4° |
| C31 | C33 | H62 | H63 | 144.5° | 145.7° |
| C33 | C31 | N28 | H58 | 44.9° | 99.5° |
| C31 | C33 | C32 | H60 | 109.6° | 107.5° |
| C31 | C33 | C32 | H61 | 109.6° | 107.6° |
| C32 | C33 | H62 | H63 | 144.5° | 145.8° |
| C33 | C32 | H60 | H61 | 144.5° | 145.7° |
| F42 | C37 | C38 | C36 | 175.2° | 179.7° |
| F42 | C37 | C38 | N39 | 174.5° | 180.0° |
| F42 | C37 | C36 | N35 | 174.1° | 179.7° |
| F42 | C37 | C36 | H64 | 6.0° | 0.3° |
| F42 | C37 | C38 | H65 | 5.4° | 0.3° |
| O43 | C24 | C23 | C25 | 178.7° | 179.9° |
| O43 | C24 | C23 | C22 | 177.6° | 180.0° |
| O43 | C24 | C25 | C27 | 1.2° | 0.1° |
| O43 | C24 | C25 | C26 | 178.2° | 179.8° |
| O43 | C24 | C23 | H56 | 2.4° | 0.1° |
| C24 | O43 | C44 | H71 | 180.0° | 60.0° |
| C24 | O43 | C44 | H72 | 60.0° | 60.0° |
| C24 | O43 | C44 | H73 | 60.0° | 180.0° |
| C37 | C38 | N39 | H65 | 180.0° | 179.7° |
| C37 | C38 | N39 | C34 | 0.4° | 0.5° |
| C38 | C37 | C36 | N35 | 1.1° | 0.0° |
| C38 | C37 | C36 | H64 | 178.9° | 180.0° |
| C36 | C37 | C38 | N39 | 0.6° | 0.3° |
| C37 | C36 | N35 | H64 | 180.0° | 180.0° |
| C37 | C36 | N35 | C34 | 1.3° | 0.0° |
| C36 | C37 | C38 | H65 | 179.4° | 180.0° |
| C38 | N39 | C34 | N35 | 0.8° | 0.6° |
| C38 | N39 | C34 | C31 | 176.9° | 179.7° |
| N39 | C34 | N35 | C36 | 1.2° | 0.3° |
| N39 | C34 | N35 | C31 | 177.7° | 179.7° |
| N39 | C34 | C31 | N28 | 13.8° | 150.9° |
| N39 | C34 | C31 | C32 | 161.5° | 63.4° |
| C34 | N39 | C38 | H65 | 179.6° | 179.7° |
| C36 | N35 | C34 | C31 | 176.5° | 180.0° |
| N35 | C34 | C31 | N28 | 164.2° | 29.4° |
| N35 | C34 | C31 | C32 | 16.4° | 116.3° |
| C34 | N35 | C36 | H64 | 178.7° | 180.0° |
| C34 | C31 | N28 | C32 | 147.9° | 145.7° |
| C34 | C31 | N28 | C27 | 81.4° | 65.3° |
| C34 | C31 | C33 | H62 | 140.8° | 145.0° |
| C34 | C31 | C33 | H63 | 0.0° | 0.0° |
| C34 | C31 | N28 | H58 | 98.7° | 114.8° |
| C34 | C31 | C32 | H60 | 142.5° | 145.0° |
| C34 | C31 | C32 | H61 | 1.7° | 0.0° |
| C31 | N28 | C27 | H58 | 180.0° | 179.9° |
| C31 | N28 | C27 | C25 | 178.1° | 174.9° |
| C31 | N28 | C27 | O29 | 2.2° | 5.1° |
| N28 | C31 | C33 | H62 | 0.0° | 0.0° |
| N28 | C31 | C33 | H63 | 140.8° | 145.0° |
| N28 | C31 | C32 | H60 | 2.7° | 0.0° |
| N28 | C31 | C32 | H61 | 143.4° | 145.0° |
| C32 | C31 | N28 | C27 | 66.5° | 149.1° |
| C32 | C31 | N28 | H58 | 113.5° | 30.8° |
| C31 | C32 | H60 | H61 | 144.5° | 145.7° |
| N28 | C27 | C25 | C24 | 17.8° | 180.0° |
| N28 | C27 | C25 | O29 | 179.6° | 180.0° |
| N28 | C27 | C25 | C26 | 165.2° | 0.2° |
| C24 | C23 | C22 | H56 | 180.0° | 180.0° |
| C23 | C24 | C25 | C27 | 177.6° | 180.0° |
| C23 | C24 | C25 | C26 | 0.7° | 0.2° |
| C24 | C23 | C22 | C20 | 0.4° | 0.0° |
| C24 | C23 | C22 | H55 | 179.6° | 180.0° |
| C25 | C24 | C23 | C22 | 1.1° | 0.1° |
| C24 | C25 | C27 | C26 | 177.0° | 179.8° |
| C24 | C25 | C27 | O29 | 162.6° | 0.0° |
| C24 | C25 | C26 | C20 | 0.4° | 0.4° |
| C25 | C24 | C23 | H56 | 178.9° | 180.0° |
| C24 | C25 | C26 | H57 | 179.6° | 180.0° |
| C23 | C22 | C20 | H55 | 180.0° | 179.9° |
| C23 | C22 | C20 | C26 | 0.6° | 0.2° |
| C23 | C22 | C20 | C7 | 179.0° | 180.0° |
| C27 | C25 | C26 | C20 | 176.9° | 179.8° |
| C27 | C25 | C26 | H57 | 3.1° | 0.2° |
| C25 | C27 | N28 | H58 | 1.9° | 5.2° |
| O29 | C27 | C25 | C26 | 14.5° | 179.8° |
| O29 | C27 | N28 | H58 | 177.8° | 174.8° |
| C25 | C26 | C20 | C22 | 1.1° | 0.4° |
| C25 | C26 | C20 | H57 | 180.0° | 179.6° |
| C25 | C26 | C20 | C7 | 179.5° | 179.8° |
| C22 | C20 | C26 | C7 | 178.4° | 179.7° |
| C22 | C20 | C7 | C8 | 130.0° | 50.0° |
| C22 | C20 | C7 | C6 | 58.6° | 130.0° |
| C20 | C22 | C23 | H56 | 179.6° | 180.0° |
| C22 | C20 | C26 | H57 | 179.0° | 180.0° |
| C26 | C20 | C7 | C8 | 48.4° | 130.3° |
| C26 | C20 | C7 | C6 | 123.0° | 49.7° |
| C26 | C20 | C22 | H55 | 179.3° | 179.7° |
| C20 | C7 | C8 | N30 | 12.9° | 0.0° |
| C20 | C7 | C8 | C6 | 171.2° | 180.0° |
| C20 | C7 | C8 | C9 | 169.8° | 179.9° |
| C20 | C7 | C6 | C4 | 170.7° | 180.0° |
| C7 | C20 | C22 | H55 | 1.0° | 0.0° |
| C20 | C7 | C6 | H45 | 9.4° | 0.0° |
| C7 | C20 | C26 | H57 | 0.5° | 0.2° |
| C40 | N30 | C8 | H59 | 122.0° | 180.0° |
| C40 | N30 | C8 | C7 | 174.7° | 180.0° |
| N30 | C40 | C41 | H67 | 120.3° | 120.0° |
| N30 | C40 | C41 | H66 | 120.3° | 120.0° |
| C40 | N30 | C8 | C9 | 8.1° | 0.1° |
| N30 | C40 | H67 | H66 | 119.1° | 120.0° |
| N30 | C40 | C41 | H69 | 180.0° | 60.1° |
| N30 | C40 | C41 | H68 | 60.0° | 60.0° |
| N30 | C40 | C41 | H70 | 60.0° | 180.0° |
| N30 | C8 | C7 | C9 | 177.3° | 179.9° |
| N30 | C8 | C7 | C6 | 175.8° | 179.9° |
| C8 | N30 | C40 | C41 | 78.3° | 179.9° |
| N30 | C8 | C9 | C5 | 176.0° | 180.0° |
| N30 | C8 | C9 | H46 | 4.0° | 0.1° |
| C8 | N30 | C40 | H67 | 42.0° | 60.0° |
| C8 | N30 | C40 | H66 | 161.4° | 60.0° |
| C8 | C7 | C6 | C4 | 0.9° | 0.0° |
| C7 | C8 | C9 | C5 | 1.3° | 0.1° |
| C8 | C7 | C6 | H45 | 179.1° | 180.0° |
| C7 | C8 | C9 | H46 | 178.7° | 179.9° |
| C7 | C8 | N30 | H59 | 52.6° | 0.1° |
| C6 | C7 | C8 | C9 | 1.4° | 0.0° |
| C7 | C6 | C4 | H45 | 180.0° | 180.0° |
| C7 | C6 | C4 | C5 | 0.2° | 0.0° |
| C7 | C6 | C4 | C3 | 177.2° | 180.0° |
| C41 | C40 | N30 | H59 | 43.7° | 0.0° |
| C41 | C40 | H67 | H66 | 119.2° | 120.0° |
| C40 | C41 | H69 | H68 | 120.0° | 120.1° |
| C40 | C41 | H69 | H70 | 120.0° | 119.9° |
| C40 | C41 | H68 | H70 | 120.0° | 120.0° |
| C8 | C9 | C5 | C4 | 0.6° | 0.0° |
| C8 | C9 | C5 | H46 | 180.0° | 179.9° |
| C8 | C9 | C5 | O1 | 178.5° | 180.0° |
| C9 | C8 | N30 | H59 | 130.1° | 180.0° |
| C6 | C4 | C5 | C3 | 178.1° | 180.0° |
| C6 | C4 | C5 | C9 | 0.0° | 0.0° |
| C6 | C4 | C5 | O1 | 178.2° | 180.0° |
| C6 | C4 | C3 | C10 | 0.7° | 0.0° |
| C6 | C4 | C3 | C2 | 177.4° | 180.0° |
| C4 | C5 | C9 | O1 | 177.9° | 180.0° |
| C5 | C4 | C3 | C10 | 176.9° | 180.0° |
| C5 | C4 | C3 | C2 | 0.2° | 0.0° |
| C4 | C5 | O1 | C2 | 0.4° | 0.0° |
| C5 | C4 | C6 | H45 | 179.8° | 180.0° |
| C4 | C5 | C9 | H46 | 179.4° | 179.9° |
| C3 | C4 | C5 | C9 | 178.1° | 180.0° |
| C4 | C3 | C10 | O11 | 59.0° | 90.0° |
| C3 | C4 | C5 | O1 | 0.1° | 0.0° |
| C4 | C3 | C10 | C2 | 175.9° | 180.0° |
| C4 | C3 | C10 | N12 | 121.3° | 90.0° |
| C4 | C3 | C2 | O1 | 0.4° | 0.0° |
| C4 | C3 | C2 | C13 | 175.2° | 180.0° |
| C3 | C4 | C6 | H45 | 2.8° | 0.0° |
| C9 | C5 | O1 | C2 | 177.7° | 180.0° |
| O11 | C10 | C3 | N12 | 179.7° | 179.9° |
| O11 | C10 | C3 | C2 | 116.9° | 90.0° |
| O11 | C10 | N12 | C21 | 12.9° | 0.1° |
| O11 | C10 | N12 | H47 | 167.1° | 180.0° |
| C5 | O1 | C2 | C3 | 0.5° | 0.0° |
| C5 | O1 | C2 | C13 | 176.1° | 180.0° |
| O1 | C5 | C9 | H46 | 1.5° | 0.1° |
| C3 | C10 | N12 | C21 | 166.7° | 180.0° |
| C10 | C3 | C2 | O1 | 176.9° | 179.9° |
| C10 | C3 | C2 | C13 | 1.3° | 0.0° |
| C3 | C10 | N12 | H47 | 13.2° | 0.1° |
| N12 | C10 | C3 | C2 | 62.7° | 89.9° |
| C10 | N12 | C21 | H47 | 180.0° | 179.9° |
| C10 | N12 | C21 | H54 | 180.0° | 60.0° |
| C10 | N12 | C21 | H52 | 60.0° | 60.0° |
| C10 | N12 | C21 | H53 | 60.0° | 179.9° |
| C3 | C2 | O1 | C13 | 176.6° | 179.9° |
| C3 | C2 | C13 | C18 | 26.9° | 179.9° |
| C3 | C2 | C13 | C14 | 153.5° | 0.3° |
| N12 | C21 | H54 | H52 | 120.0° | 120.0° |
| N12 | C21 | H54 | H53 | 120.0° | 120.0° |
| N12 | C21 | H52 | H53 | 120.0° | 120.0° |
| O1 | C2 | C13 | C18 | 148.7° | 0.0° |
| O1 | C2 | C13 | C14 | 31.0° | 179.6° |
| C2 | C13 | C18 | C14 | 179.6° | 179.6° |
| C2 | C13 | C18 | C17 | 178.8° | 179.8° |
| C2 | C13 | C14 | C15 | 178.6° | 179.7° |
| C2 | C13 | C18 | H51 | 1.2° | 0.4° |
| C2 | C13 | C14 | H48 | 1.4° | 0.4° |
| C13 | C18 | C17 | H51 | 180.0° | 179.9° |
| C18 | C13 | C14 | C15 | 1.1° | 0.1° |
| C13 | C18 | C17 | C16 | 3.9° | 0.1° |
| C13 | C18 | C17 | H50 | 176.1° | 180.0° |
| C18 | C13 | C14 | H48 | 179.0° | 180.0° |
| C14 | C13 | C18 | C17 | 1.5° | 0.1° |
| C13 | C14 | C15 | H48 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 1.1° | 0.0° |
| C14 | C13 | C18 | H51 | 178.5° | 180.0° |
| C13 | C14 | C15 | H49 | 178.9° | 180.0° |
| C18 | C17 | C16 | H50 | 180.0° | 179.9° |
| C18 | C17 | C16 | C15 | 3.9° | 0.0° |
| C18 | C17 | C16 | F19 | 171.4° | 179.9° |
| C14 | C15 | C16 | C17 | 1.4° | 0.0° |
| C14 | C15 | C16 | H49 | 180.0° | 180.0° |
| C14 | C15 | C16 | F19 | 173.8° | 180.0° |
| C17 | C16 | C15 | F19 | 175.2° | 180.0° |
| C16 | C17 | C18 | H51 | 176.1° | 180.0° |
| C17 | C16 | C15 | H49 | 178.6° | 180.0° |
| C15 | C16 | C17 | H50 | 176.1° | 179.9° |
| C16 | C15 | C14 | H48 | 178.9° | 179.9° |
| F19 | C16 | C17 | H50 | 8.6° | 0.0° |
| F19 | C16 | C15 | H49 | 6.2° | 0.0° |
| H51 | C18 | C17 | H50 | 3.9° | 0.1° |
| H49 | C15 | C14 | H48 | 1.1° | 0.1° |
| H54 | C21 | H52 | H53 | 120.0° | 120.0° |
| H54 | C21 | N12 | H47 | 0.0° | 120.0° |
| H52 | C21 | N12 | H47 | 120.0° | 120.0° |
| H53 | C21 | N12 | H47 | 120.1° | 0.0° |
| H55 | C22 | C23 | H56 | 0.4° | 0.1° |
| H62 | C33 | C32 | H60 | 0.0° | 0.1° |
| H62 | C33 | C32 | H61 | 140.8° | 145.0° |
| H63 | C33 | C32 | H60 | 140.8° | 145.0° |
| H63 | C33 | C32 | H61 | 0.0° | 0.1° |
| H59 | N30 | C40 | H67 | 164.0° | 120.0° |
| H59 | N30 | C40 | H66 | 76.6° | 120.0° |
| H67 | C40 | C41 | H69 | 59.7° | 179.9° |
| H67 | C40 | C41 | H68 | 179.7° | 60.0° |
| H67 | C40 | C41 | H70 | 60.3° | 60.0° |
| H66 | C40 | C41 | H69 | 59.7° | 59.9° |
| H66 | C40 | C41 | H68 | 60.3° | 180.0° |
| H66 | C40 | C41 | H70 | 179.7° | 60.0° |
| H69 | C41 | H68 | H70 | 120.0° | 120.0° |
| H71 | C44 | H72 | H73 | 120.0° | 120.0° |
