2IC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | CL1 | sing | 1.72Å | 1.73Å | |
| C2 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.09Å | 1.08Å | |
| C8 | C9 | sing | 1.40Å | 1.42Å | Aromatic |
| C8 | N11 | sing | 1.43Å | 1.36Å | |
| C8 | C6 | doub | 1.40Å | 1.41Å | Aromatic |
| C9 | H9 | sing | 1.09Å | 1.08Å | |
| C12 | N11 | sing | 1.39Å | 1.36Å | |
| C12 | N13 | sing | 1.40Å | 1.34Å | |
| C12 | O56 | doub | 1.23Å | 1.23Å | |
| C14 | C22 | sing | 1.55Å | 1.53Å | |
| C14 | C15 | sing | 1.54Å | 1.54Å | |
| C14 | C50 | sing | 1.54Å | 1.54Å | |
| C14 | N13 | sing | 1.45Å | 1.45Å | |
| C15 | N18 | sing | 1.47Å | 1.48Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.10Å | 1.10Å | |
| N18 | C36 | sing | 1.45Å | 1.47Å | |
| N18 | C19 | sing | 1.46Å | 1.45Å | |
| C19 | C22 | sing | 1.53Å | 1.51Å | |
| C19 | H191 | sing | 1.10Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C22 | C24 | sing | 1.52Å | 1.50Å | |
| C22 | H22 | sing | 1.10Å | 1.10Å | |
| C24 | C32 | sing | 1.40Å | 1.42Å | Aromatic |
| C24 | C25 | doub | 1.40Å | 1.41Å | Aromatic |
| C27 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| C27 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C27 | H27 | sing | 1.09Å | 1.08Å | |
| C30 | C32 | doub | 1.39Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.39Å | 1.40Å | Aromatic |
| C30 | H30 | sing | 1.09Å | 1.08Å | |
| C32 | H32 | sing | 1.09Å | 1.08Å | |
| C34 | N35 | trip | 1.16Å | 1.16Å | |
| C34 | C29 | sing | 1.43Å | 1.43Å | |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | CL57 | sing | 1.72Å | 1.72Å | |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| N11 | C50 | sing | 1.39Å | 1.36Å | |
| N13 | C52 | sing | 1.45Å | 1.46Å | |
| C25 | H25 | sing | 1.09Å | 1.08Å | |
| C36 | C39 | sing | 1.50Å | 1.49Å | |
| C36 | H361 | sing | 1.10Å | 1.10Å | |
| C36 | H362 | sing | 1.10Å | 1.10Å | |
| C39 | C44 | doub | 1.36Å | 1.35Å | Aromatic |
| C39 | S40 | sing | 1.70Å | 1.75Å | Aromatic |
| S40 | C41 | sing | 1.71Å | 1.75Å | Aromatic |
| C41 | C43 | doub | 1.38Å | 1.34Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C43 | C46 | sing | 1.44Å | 1.48Å | |
| C43 | C44 | sing | 1.42Å | 1.47Å | Aromatic |
| C44 | H44 | sing | 1.08Å | 1.08Å | |
| C46 | O47 | doub | 1.24Å | 1.25Å | |
| C46 | O48 | sing | 1.37Å | 1.25Å | |
| O48 | HO48 | sing | 0.98Å | 0.95Å | |
| C50 | O51 | doub | 1.23Å | 1.23Å | |
| C52 | H521 | sing | 1.09Å | 1.10Å | |
| C52 | H522 | sing | 1.09Å | 1.10Å | |
| C52 | H523 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C2 | C9 | 119.4° | 120.0° |
| CL1 | C2 | C3 | 118.0° | 120.0° |
| C9 | C2 | C3 | 122.6° | 120.0° |
| C2 | C9 | C8 | 118.9° | 120.1° |
| C2 | C9 | H9 | 120.5° | 120.1° |
| C2 | C3 | C5 | 117.2° | 120.0° |
| C2 | C3 | H3 | 121.4° | 120.0° |
| C5 | C3 | H3 | 121.4° | 120.0° |
| C3 | C5 | C6 | 122.2° | 119.9° |
| C3 | C5 | CL57 | 118.7° | 120.0° |
| C9 | C8 | N11 | 120.7° | 120.2° |
| C9 | C8 | C6 | 119.0° | 119.7° |
| C8 | C9 | H9 | 120.5° | 119.7° |
| N11 | C8 | C6 | 120.2° | 120.2° |
| C8 | N11 | C12 | 125.3° | 124.8° |
| C8 | N11 | C50 | 123.7° | 124.7° |
| C8 | C6 | C5 | 119.9° | 120.2° |
| C8 | C6 | H6 | 120.1° | 119.7° |
| N11 | C12 | N13 | 108.9° | 107.1° |
| N11 | C12 | O56 | 127.0° | 128.5° |
| C12 | N11 | C50 | 110.8° | 110.4° |
| N13 | C12 | O56 | 124.1° | 124.4° |
| C12 | N13 | C14 | 112.5° | 113.2° |
| C12 | N13 | C52 | 124.5° | 123.6° |
| C22 | C14 | C15 | 104.1° | 105.4° |
| C22 | C14 | C50 | 110.8° | 113.1° |
| C22 | C14 | N13 | 113.2° | 115.0° |
| C14 | C22 | C19 | 105.6° | 101.9° |
| C14 | C22 | C24 | 116.5° | 116.5° |
| C14 | C22 | H22 | 111.1° | 108.7° |
| C15 | C14 | C50 | 111.6° | 109.8° |
| C15 | C14 | N13 | 118.1° | 113.7° |
| C14 | C15 | N18 | 106.4° | 104.2° |
| C14 | C15 | H151 | 110.5° | 112.6° |
| C14 | C15 | H152 | 111.2° | 111.6° |
| C50 | C14 | N13 | 99.3° | 100.1° |
| C14 | C50 | N11 | 107.7° | 109.1° |
| C14 | C50 | O51 | 123.5° | 122.2° |
| C14 | N13 | C52 | 122.7° | 123.1° |
| N18 | C15 | H151 | 110.5° | 109.8° |
| N18 | C15 | H152 | 111.2° | 110.9° |
| C15 | N18 | C36 | 120.3° | 112.6° |
| C15 | N18 | C19 | 107.1° | 105.9° |
| H151 | C15 | H152 | 107.1° | 107.7° |
| C36 | N18 | C19 | 104.7° | 112.6° |
| N18 | C36 | C39 | 111.2° | 112.0° |
| N18 | C36 | H361 | 108.9° | 108.0° |
| N18 | C36 | H362 | 108.5° | 107.8° |
| N18 | C19 | C22 | 103.5° | 101.4° |
| N18 | C19 | H191 | 111.5° | 112.3° |
| N18 | C19 | H192 | 112.8° | 111.8° |
| C22 | C19 | H191 | 111.5° | 111.4° |
| C22 | C19 | H192 | 112.8° | 111.3° |
| C19 | C22 | C24 | 118.1° | 117.7° |
| C19 | C22 | H22 | 109.1° | 107.3° |
| H191 | C19 | H192 | 104.9° | 108.6° |
| C24 | C22 | H22 | 96.1° | 104.4° |
| C22 | C24 | C32 | 123.6° | 120.1° |
| C22 | C24 | C25 | 117.6° | 120.1° |
| C32 | C24 | C25 | 118.8° | 119.9° |
| C24 | C32 | C30 | 120.0° | 120.1° |
| C24 | C32 | H32 | 120.0° | 120.4° |
| C24 | C25 | C27 | 120.9° | 120.0° |
| C24 | C25 | H25 | 119.5° | 120.4° |
| C29 | C27 | C25 | 119.3° | 120.0° |
| C29 | C27 | H27 | 120.4° | 120.8° |
| C27 | C29 | C30 | 120.8° | 120.0° |
| C27 | C29 | C34 | 119.3° | 120.0° |
| C25 | C27 | H27 | 120.3° | 119.1° |
| C27 | C25 | H25 | 119.5° | 119.6° |
| C32 | C30 | C29 | 120.0° | 120.0° |
| C32 | C30 | H30 | 120.0° | 119.1° |
| C30 | C32 | H32 | 120.0° | 119.5° |
| C29 | C30 | H30 | 120.0° | 120.8° |
| C30 | C29 | C34 | 119.8° | 120.0° |
| N35 | C34 | C29 | 178.0° | 180.0° |
| C6 | C5 | CL57 | 119.1° | 120.0° |
| C5 | C6 | H6 | 120.0° | 120.1° |
| N11 | C50 | O51 | 128.8° | 128.6° |
| N13 | C52 | H521 | 109.5° | 110.1° |
| N13 | C52 | H522 | 109.5° | 110.2° |
| N13 | C52 | H523 | 109.5° | 110.2° |
| C39 | C36 | H361 | 108.9° | 110.6° |
| C39 | C36 | H362 | 108.5° | 111.0° |
| C36 | C39 | C44 | 128.8° | 127.8° |
| C36 | C39 | S40 | 118.0° | 118.8° |
| H361 | C36 | H362 | 110.9° | 107.3° |
| C44 | C39 | S40 | 113.0° | 113.4° |
| C39 | C44 | C43 | 110.6° | 111.3° |
| C39 | C44 | H44 | 124.7° | 124.0° |
| C39 | S40 | C41 | 90.4° | 91.2° |
| S40 | C41 | C43 | 111.3° | 112.0° |
| S40 | C41 | H41 | 124.4° | 119.9° |
| C43 | C41 | H41 | 124.4° | 128.0° |
| C41 | C43 | C46 | 122.0° | 122.5° |
| C41 | C43 | C44 | 113.7° | 112.1° |
| C46 | C43 | C44 | 124.3° | 125.4° |
| C43 | C46 | O47 | 118.4° | 126.0° |
| C43 | C46 | O48 | 118.9° | 113.1° |
| C43 | C44 | H44 | 124.7° | 124.7° |
| O47 | C46 | O48 | 122.7° | 120.9° |
| C46 | O48 | HO48 | 109.5° | 113.7° |
| H521 | C52 | H522 | 109.5° | 108.8° |
| H521 | C52 | H523 | 109.4° | 108.8° |
| H522 | C52 | H523 | 109.5° | 108.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C2 | C9 | C3 | 179.0° | 179.9° |
| CL1 | C2 | C3 | C5 | 178.9° | 180.0° |
| CL1 | C2 | C3 | H3 | 1.1° | 0.1° |
| CL1 | C2 | C9 | C8 | 179.9° | 180.0° |
| CL1 | C2 | C9 | H9 | 0.1° | 0.0° |
| C9 | C2 | C3 | C5 | 0.2° | 0.1° |
| C9 | C2 | C3 | H3 | 179.8° | 180.0° |
| C2 | C9 | C8 | H9 | 180.0° | 180.0° |
| C2 | C9 | C8 | N11 | 179.7° | 180.0° |
| C2 | C9 | C8 | C6 | 1.1° | 0.0° |
| C2 | C3 | C5 | H3 | 180.0° | 179.9° |
| C3 | C2 | C9 | C8 | 1.1° | 0.0° |
| C3 | C2 | C9 | H9 | 178.9° | 180.0° |
| C2 | C3 | C5 | C6 | 1.6° | 0.1° |
| C2 | C3 | C5 | CL57 | 177.1° | 180.0° |
| C3 | C5 | C6 | C8 | 1.6° | 0.0° |
| C3 | C5 | C6 | CL57 | 178.6° | 180.0° |
| C3 | C5 | C6 | H6 | 178.4° | 179.9° |
| H3 | C3 | C5 | C6 | 178.5° | 180.0° |
| H3 | C3 | C5 | CL57 | 2.9° | 0.1° |
| C9 | C8 | N11 | C6 | 178.6° | 180.0° |
| C9 | C8 | N11 | C12 | 131.4° | 149.5° |
| C9 | C8 | C6 | C5 | 0.2° | 0.0° |
| C9 | C8 | C6 | H6 | 179.8° | 180.0° |
| C9 | C8 | N11 | C50 | 43.3° | 30.0° |
| N11 | C8 | C9 | H9 | 0.3° | 0.0° |
| C8 | N11 | C12 | C50 | 175.3° | 179.6° |
| C8 | N11 | C12 | N13 | 175.1° | 179.3° |
| C8 | N11 | C12 | O56 | 4.2° | 1.8° |
| C8 | N11 | C50 | C14 | 169.7° | 177.8° |
| N11 | C8 | C6 | C5 | 178.4° | 180.0° |
| N11 | C8 | C6 | H6 | 1.6° | 0.0° |
| C8 | N11 | C50 | O51 | 10.1° | 3.7° |
| C6 | C8 | C9 | H9 | 178.9° | 180.0° |
| C6 | C8 | N11 | C12 | 47.1° | 30.5° |
| C8 | C6 | C5 | H6 | 180.0° | 180.0° |
| C8 | C6 | C5 | CL57 | 177.1° | 180.0° |
| C6 | C8 | N11 | C50 | 138.1° | 150.0° |
| N11 | C12 | N13 | O56 | 179.3° | 177.6° |
| C12 | N11 | C50 | C14 | 5.8° | 1.8° |
| N11 | C12 | N13 | C14 | 5.9° | 1.4° |
| N11 | C12 | N13 | C52 | 179.4° | 178.2° |
| C12 | N11 | C50 | O51 | 174.4° | 176.7° |
| C12 | N13 | C14 | C22 | 108.8° | 119.2° |
| C12 | N13 | C14 | C15 | 129.3° | 119.2° |
| C12 | N13 | C14 | C50 | 8.7° | 2.3° |
| C12 | N13 | C14 | C52 | 173.6° | 176.8° |
| N13 | C12 | N11 | C50 | 0.2° | 0.3° |
| C12 | N13 | C52 | H521 | 25.1° | 82.5° |
| C12 | N13 | C52 | H522 | 145.1° | 37.5° |
| C12 | N13 | C52 | H523 | 94.9° | 157.4° |
| O56 | C12 | N13 | C14 | 173.4° | 176.2° |
| O56 | C12 | N11 | C50 | 179.5° | 177.8° |
| O56 | C12 | N13 | C52 | 0.1° | 0.6° |
| C22 | C14 | C15 | C50 | 119.5° | 122.0° |
| C22 | C14 | C15 | N13 | 126.4° | 126.8° |
| C22 | C14 | C50 | N13 | 119.2° | 122.9° |
| C22 | C14 | C15 | N18 | 1.4° | 6.0° |
| C22 | C14 | C15 | H151 | 118.6° | 124.9° |
| C22 | C14 | C15 | H152 | 122.7° | 113.8° |
| C14 | C22 | C19 | N18 | 34.7° | 40.7° |
| C14 | C22 | C19 | C24 | 132.4° | 128.7° |
| C14 | C22 | C19 | H22 | 119.5° | 114.1° |
| C14 | C22 | C19 | H191 | 154.7° | 78.9° |
| C14 | C22 | C19 | H192 | 87.5° | 159.8° |
| C14 | C22 | C24 | H22 | 117.2° | 119.8° |
| C14 | C22 | C24 | C32 | 88.6° | 120.2° |
| C14 | C22 | C24 | C25 | 89.4° | 59.9° |
| C22 | C14 | C50 | N11 | 110.8° | 120.5° |
| C22 | C14 | N13 | C52 | 64.8° | 57.6° |
| C22 | C14 | C50 | O51 | 69.0° | 60.9° |
| C15 | C14 | C50 | N13 | 125.3° | 119.8° |
| C14 | C15 | N18 | H151 | 120.0° | 120.8° |
| C14 | C15 | N18 | H152 | 121.2° | 120.2° |
| C14 | C15 | H151 | H152 | 121.3° | 123.5° |
| C14 | C15 | N18 | C36 | 142.8° | 156.4° |
| C14 | C15 | N18 | C19 | 23.6° | 32.9° |
| C15 | C14 | C22 | C19 | 20.1° | 21.2° |
| C15 | C14 | C22 | C24 | 153.4° | 150.6° |
| C15 | C14 | C22 | H22 | 98.1° | 91.9° |
| C15 | C14 | C50 | N11 | 133.7° | 122.2° |
| C15 | C14 | N13 | C52 | 57.1° | 64.0° |
| C15 | C14 | C50 | O51 | 46.5° | 56.4° |
| C50 | C14 | C15 | N18 | 120.9° | 128.0° |
| C50 | C14 | C15 | H151 | 0.9° | 113.1° |
| C50 | C14 | C15 | H152 | 117.9° | 8.3° |
| C50 | C14 | C22 | C19 | 99.9° | 98.7° |
| C50 | C14 | C22 | C24 | 33.4° | 30.8° |
| C50 | C14 | C22 | H22 | 141.9° | 148.3° |
| C14 | C50 | N11 | O51 | 179.8° | 178.5° |
| C50 | C14 | N13 | C52 | 177.8° | 179.1° |
| N13 | C14 | C15 | N18 | 125.0° | 120.9° |
| N13 | C14 | C15 | H151 | 115.0° | 2.0° |
| N13 | C14 | C15 | H152 | 3.8° | 119.4° |
| N13 | C14 | C22 | C19 | 149.6° | 147.2° |
| N13 | C14 | C22 | C24 | 77.1° | 83.4° |
| N13 | C14 | C22 | H22 | 31.4° | 34.2° |
| N13 | C14 | C50 | N11 | 8.4° | 2.4° |
| N13 | C14 | C50 | O51 | 171.8° | 176.2° |
| C14 | N13 | C52 | H521 | 162.1° | 101.0° |
| C14 | N13 | C52 | H522 | 42.1° | 139.0° |
| C14 | N13 | C52 | H523 | 77.9° | 19.0° |
| N18 | C15 | H151 | H152 | 121.3° | 120.9° |
| C15 | N18 | C36 | C19 | 120.5° | 119.6° |
| C15 | N18 | C19 | C22 | 36.1° | 46.8° |
| C15 | N18 | C19 | H191 | 156.1° | 72.1° |
| C15 | N18 | C19 | H192 | 86.1° | 165.5° |
| C15 | N18 | C36 | C39 | 80.9° | 60.3° |
| C15 | N18 | C36 | H361 | 159.1° | 177.6° |
| C15 | N18 | C36 | H362 | 38.3° | 62.1° |
| H151 | C15 | N18 | C36 | 22.8° | 82.8° |
| H151 | C15 | N18 | C19 | 96.4° | 153.7° |
| H152 | C15 | N18 | C36 | 96.0° | 36.2° |
| H152 | C15 | N18 | C19 | 144.8° | 87.3° |
| C36 | N18 | C19 | C22 | 164.9° | 170.3° |
| C36 | N18 | C19 | H191 | 75.1° | 51.3° |
| C36 | N18 | C19 | H192 | 42.7° | 71.0° |
| N18 | C36 | C39 | H361 | 120.0° | 120.5° |
| N18 | C36 | C39 | H362 | 119.3° | 120.5° |
| N18 | C36 | H361 | H362 | 119.3° | 115.9° |
| N18 | C36 | C39 | C44 | 98.8° | 90.0° |
| N18 | C36 | C39 | S40 | 86.4° | 90.0° |
| N18 | C19 | C22 | H191 | 120.0° | 119.6° |
| N18 | C19 | C22 | H192 | 122.2° | 119.1° |
| N18 | C19 | H191 | H192 | 122.4° | 124.2° |
| N18 | C19 | C22 | C24 | 167.1° | 169.4° |
| N18 | C19 | C22 | H22 | 84.8° | 73.4° |
| C19 | N18 | C36 | C39 | 158.6° | 180.0° |
| C19 | N18 | C36 | H361 | 38.7° | 58.0° |
| C19 | N18 | C36 | H362 | 82.1° | 57.6° |
| C22 | C19 | H191 | H192 | 122.4° | 122.9° |
| C19 | C22 | C24 | H22 | 115.5° | 118.7° |
| C19 | C22 | C24 | C32 | 38.8° | 1.2° |
| C19 | C22 | C24 | C25 | 143.3° | 178.7° |
| H191 | C19 | C22 | C24 | 72.9° | 49.8° |
| H191 | C19 | C22 | H22 | 35.2° | 167.0° |
| H192 | C19 | C22 | C24 | 44.9° | 71.5° |
| H192 | C19 | C22 | H22 | 153.0° | 45.7° |
| C22 | C24 | C32 | C25 | 178.0° | 179.9° |
| C22 | C24 | C25 | C27 | 173.6° | 180.0° |
| C22 | C24 | C32 | C30 | 173.7° | 180.0° |
| C22 | C24 | C32 | H32 | 6.3° | 0.1° |
| C22 | C24 | C25 | H25 | 6.4° | 0.0° |
| H22 | C22 | C24 | C32 | 154.2° | 120.0° |
| H22 | C22 | C24 | C25 | 27.8° | 60.0° |
| C32 | C24 | C25 | C27 | 4.5° | 0.0° |
| C24 | C32 | C30 | H32 | 180.0° | 179.9° |
| C24 | C32 | C30 | C29 | 2.3° | 0.0° |
| C24 | C32 | C30 | H30 | 177.8° | 180.0° |
| C32 | C24 | C25 | H25 | 175.5° | 180.0° |
| C24 | C25 | C27 | C29 | 2.7° | 0.0° |
| C24 | C25 | C27 | H25 | 180.0° | 180.0° |
| C24 | C25 | C27 | H27 | 177.3° | 180.0° |
| C25 | C24 | C32 | C30 | 4.3° | 0.0° |
| C25 | C24 | C32 | H32 | 175.8° | 179.9° |
| C29 | C27 | C25 | H27 | 180.0° | 180.0° |
| C27 | C29 | C30 | C32 | 0.4° | 0.0° |
| C27 | C29 | C30 | C34 | 177.2° | 180.0° |
| C27 | C29 | C30 | H30 | 179.6° | 180.0° |
| C27 | C29 | C34 | N35 | 88.9° | 29.6° |
| C29 | C27 | C25 | H25 | 177.3° | 180.0° |
| C25 | C27 | C29 | C30 | 0.6° | 0.0° |
| C25 | C27 | C29 | C34 | 176.6° | 180.0° |
| H27 | C27 | C29 | C30 | 179.3° | 180.0° |
| H27 | C27 | C29 | C34 | 3.4° | 0.0° |
| H27 | C27 | C25 | H25 | 2.7° | 0.0° |
| C32 | C30 | C29 | H30 | 180.0° | 180.0° |
| C32 | C30 | C29 | C34 | 176.8° | 180.0° |
| C29 | C30 | C32 | H32 | 177.7° | 179.9° |
| C30 | C29 | C34 | N35 | 88.3° | 150.5° |
| H30 | C30 | C32 | H32 | 2.2° | 0.0° |
| H30 | C30 | C29 | C34 | 3.2° | 0.0° |
| CL57 | C5 | C6 | H6 | 2.9° | 0.0° |
| N13 | C52 | H521 | H522 | 120.0° | 120.9° |
| N13 | C52 | H521 | H523 | 120.0° | 120.9° |
| N13 | C52 | H522 | H523 | 120.0° | 120.9° |
| C39 | C36 | H361 | H362 | 119.2° | 121.2° |
| C36 | C39 | C44 | S40 | 175.0° | 180.0° |
| C36 | C39 | S40 | C41 | 175.8° | 180.0° |
| C36 | C39 | C44 | C43 | 179.3° | 180.0° |
| C36 | C39 | C44 | H44 | 0.7° | 0.0° |
| H361 | C36 | C39 | C44 | 21.2° | 149.5° |
| H361 | C36 | C39 | S40 | 153.6° | 30.5° |
| H362 | C36 | C39 | C44 | 141.9° | 30.5° |
| H362 | C36 | C39 | S40 | 32.9° | 149.4° |
| C44 | C39 | S40 | C41 | 8.6° | 0.0° |
| C39 | C44 | C43 | C41 | 1.5° | 0.0° |
| C39 | C44 | C43 | C46 | 177.3° | 179.9° |
| C39 | C44 | C43 | H44 | 180.0° | 180.0° |
| C39 | S40 | C41 | C43 | 9.3° | 0.0° |
| C39 | S40 | C41 | H41 | 170.7° | 180.0° |
| S40 | C39 | C44 | C43 | 5.7° | 0.0° |
| S40 | C39 | C44 | H44 | 174.3° | 180.0° |
| S40 | C41 | C43 | H41 | 180.0° | 180.0° |
| S40 | C41 | C43 | C46 | 170.9° | 179.9° |
| S40 | C41 | C43 | C44 | 7.9° | 0.0° |
| C41 | C43 | C46 | C44 | 178.7° | 179.9° |
| C41 | C43 | C44 | H44 | 178.5° | 180.0° |
| C41 | C43 | C46 | O47 | 173.7° | 0.2° |
| C41 | C43 | C46 | O48 | 5.4° | 179.9° |
| H41 | C41 | C43 | C46 | 9.1° | 0.1° |
| H41 | C41 | C43 | C44 | 172.1° | 180.0° |
| C46 | C43 | C44 | H44 | 2.7° | 0.1° |
| C43 | C46 | O47 | O48 | 179.1° | 180.0° |
| C43 | C46 | O48 | HO48 | 179.1° | 180.0° |
| C44 | C43 | C46 | O47 | 5.0° | 180.0° |
| C44 | C43 | C46 | O48 | 175.9° | 0.0° |
| O47 | C46 | O48 | HO48 | 0.0° | 0.0° |
| H521 | C52 | H522 | H523 | 120.0° | 118.3° |
