I31
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C57 | C5 | sing | 1.53Å | 1.54Å | |
| C52 | C53 | doub | 1.38Å | 1.39Å | Aromatic |
| C52 | C51 | sing | 1.38Å | 1.40Å | Aromatic |
| C53 | C54 | sing | 1.38Å | 1.40Å | Aromatic |
| C43 | C42 | doub | 1.38Å | 1.39Å | Aromatic |
| C43 | C44 | sing | 1.38Å | 1.39Å | Aromatic |
| C42 | C41 | sing | 1.38Å | 1.40Å | Aromatic |
| C47 | C4 | sing | 1.53Å | 1.54Å | |
| C5 | C51 | sing | 1.51Å | 1.52Å | |
| C5 | C4 | sing | 1.54Å | 1.56Å | |
| C5 | N1 | sing | 1.47Å | 1.47Å | |
| C51 | C56 | doub | 1.38Å | 1.40Å | Aromatic |
| CL4 | C44 | sing | 1.74Å | 1.75Å | |
| C44 | C45 | doub | 1.38Å | 1.39Å | Aromatic |
| C54 | CL5 | sing | 1.74Å | 1.75Å | |
| C54 | C55 | doub | 1.38Å | 1.39Å | Aromatic |
| C41 | C4 | sing | 1.51Å | 1.52Å | |
| C41 | C46 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | N3 | sing | 1.47Å | 1.45Å | |
| N1 | C2 | sing | 1.37Å | 1.39Å | |
| C56 | C55 | sing | 1.38Å | 1.39Å | Aromatic |
| C45 | C46 | sing | 1.38Å | 1.39Å | Aromatic |
| N3 | C2 | doub | 1.29Å | 1.28Å | |
| C2 | C21 | sing | 1.48Å | 1.46Å | |
| C29 | C28 | sing | 1.53Å | 1.54Å | |
| O27 | C28 | sing | 1.43Å | 1.42Å | |
| O27 | C26 | sing | 1.36Å | 1.39Å | |
| C21 | C26 | doub | 1.40Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.41Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C30 | sing | 1.51Å | 1.51Å | |
| C33 | C30 | sing | 1.53Å | 1.54Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | C32 | sing | 1.53Å | 1.53Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C57 | H3 | sing | 1.09Å | 1.10Å | |
| C57 | H4 | sing | 1.09Å | 1.10Å | |
| C57 | H5 | sing | 1.09Å | 1.10Å | |
| C47 | H6 | sing | 1.09Å | 1.10Å | |
| C47 | H7 | sing | 1.09Å | 1.10Å | |
| C47 | H8 | sing | 1.09Å | 1.10Å | |
| C56 | H12 | sing | 1.08Å | 1.08Å | |
| C55 | H13 | sing | 1.08Å | 1.08Å | |
| C53 | H14 | sing | 1.08Å | 1.08Å | |
| C52 | H15 | sing | 1.08Å | 1.08Å | |
| C42 | H16 | sing | 1.08Å | 1.08Å | |
| C43 | H17 | sing | 1.08Å | 1.08Å | |
| C45 | H18 | sing | 1.08Å | 1.08Å | |
| C46 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H21 | sing | 1.08Å | 1.08Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å | |
| C31 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.08Å | 1.08Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C57 | C5 | C51 | 111.7° | 110.6° |
| C57 | C5 | C4 | 111.8° | 110.8° |
| C57 | C5 | N1 | 111.2° | 110.6° |
| C5 | C57 | H3 | 109.5° | 109.5° |
| C5 | C57 | H4 | 109.5° | 109.5° |
| C5 | C57 | H5 | 109.5° | 109.4° |
| C53 | C52 | C51 | 120.1° | 120.0° |
| C52 | C53 | C54 | 119.6° | 120.0° |
| C52 | C53 | H14 | 120.2° | 120.0° |
| C53 | C52 | H15 | 119.9° | 120.0° |
| C52 | C51 | C5 | 120.9° | 120.0° |
| C52 | C51 | C56 | 119.6° | 120.0° |
| C51 | C52 | H15 | 120.0° | 120.0° |
| C53 | C54 | CL5 | 119.7° | 120.0° |
| C53 | C54 | C55 | 120.6° | 120.0° |
| C54 | C53 | H14 | 120.2° | 120.0° |
| C42 | C43 | C44 | 119.5° | 120.0° |
| C43 | C42 | C41 | 120.2° | 120.1° |
| C43 | C42 | H16 | 119.9° | 120.0° |
| C42 | C43 | H17 | 120.3° | 120.0° |
| C43 | C44 | CL4 | 119.8° | 120.1° |
| C43 | C44 | C45 | 120.5° | 120.0° |
| C44 | C43 | H17 | 120.2° | 120.0° |
| C42 | C41 | C4 | 120.0° | 120.0° |
| C42 | C41 | C46 | 119.7° | 120.0° |
| C41 | C42 | H16 | 119.9° | 120.0° |
| C47 | C4 | C5 | 110.0° | 110.5° |
| C47 | C4 | C41 | 109.9° | 110.6° |
| C47 | C4 | N3 | 108.4° | 110.5° |
| C4 | C47 | H6 | 109.5° | 109.5° |
| C4 | C47 | H7 | 109.5° | 109.4° |
| C4 | C47 | H8 | 109.5° | 109.4° |
| C51 | C5 | C4 | 112.0° | 110.7° |
| C51 | C5 | N1 | 108.7° | 110.7° |
| C5 | C51 | C56 | 119.5° | 120.0° |
| C4 | C5 | N1 | 101.0° | 103.3° |
| C5 | C4 | C41 | 114.5° | 110.5° |
| C5 | C4 | N3 | 102.6° | 104.1° |
| C5 | N1 | C2 | 107.4° | 108.3° |
| C5 | N1 | H1 | 126.3° | 125.8° |
| C51 | C56 | C55 | 120.5° | 120.1° |
| C51 | C56 | H12 | 119.8° | 120.0° |
| CL4 | C44 | C45 | 119.6° | 120.0° |
| C44 | C45 | C46 | 119.8° | 120.0° |
| C44 | C45 | H18 | 120.1° | 120.0° |
| CL5 | C54 | C55 | 119.8° | 120.0° |
| C54 | C55 | C56 | 119.5° | 120.0° |
| C54 | C55 | H13 | 120.3° | 120.0° |
| C4 | C41 | C46 | 120.4° | 120.0° |
| C41 | C4 | N3 | 111.1° | 110.5° |
| C41 | C46 | C45 | 120.2° | 120.0° |
| C41 | C46 | H19 | 119.9° | 120.0° |
| C4 | N3 | C2 | 109.8° | 110.1° |
| N1 | C2 | N3 | 113.5° | 114.2° |
| N1 | C2 | C21 | 121.4° | 122.9° |
| C2 | N1 | H1 | 126.3° | 125.9° |
| C55 | C56 | H12 | 119.7° | 120.0° |
| C56 | C55 | H13 | 120.2° | 120.0° |
| C46 | C45 | H18 | 120.1° | 120.0° |
| C45 | C46 | H19 | 119.9° | 120.0° |
| N3 | C2 | C21 | 125.1° | 122.9° |
| C2 | C21 | C26 | 121.9° | 120.2° |
| C2 | C21 | C22 | 119.1° | 120.1° |
| C29 | C28 | O27 | 109.5° | 109.5° |
| C29 | C28 | H29 | 109.5° | 109.5° |
| C29 | C28 | H30 | 109.5° | 109.5° |
| C28 | C29 | H31 | 109.5° | 109.5° |
| C28 | C29 | H32 | 109.5° | 109.5° |
| C28 | C29 | H33 | 109.5° | 109.5° |
| C28 | O27 | C26 | 115.4° | 117.1° |
| O27 | C28 | H29 | 109.5° | 109.5° |
| O27 | C28 | H30 | 109.4° | 109.5° |
| O27 | C26 | C21 | 117.9° | 120.2° |
| O27 | C26 | C25 | 120.9° | 120.1° |
| C26 | C21 | C22 | 119.1° | 119.7° |
| C21 | C26 | C25 | 121.3° | 119.7° |
| C21 | C22 | C23 | 120.7° | 119.9° |
| C21 | C22 | H20 | 119.6° | 120.1° |
| C26 | C25 | C24 | 118.7° | 120.1° |
| C26 | C25 | H28 | 120.6° | 120.0° |
| C22 | C23 | C24 | 120.3° | 120.3° |
| C23 | C22 | H20 | 119.7° | 120.0° |
| C22 | C23 | H21 | 119.8° | 119.9° |
| C25 | C24 | C23 | 120.0° | 120.3° |
| C25 | C24 | C30 | 121.3° | 119.8° |
| C24 | C25 | H28 | 120.7° | 120.0° |
| C23 | C24 | C30 | 118.8° | 119.8° |
| C24 | C23 | H21 | 119.9° | 119.9° |
| C24 | C30 | C33 | 109.9° | 109.4° |
| C24 | C30 | C31 | 110.0° | 109.5° |
| C24 | C30 | C32 | 109.0° | 109.5° |
| C33 | C30 | C31 | 109.4° | 109.5° |
| C33 | C30 | C32 | 109.1° | 109.5° |
| C30 | C33 | H34 | 109.5° | 109.4° |
| C30 | C33 | H35 | 109.5° | 109.5° |
| C30 | C33 | H36 | 109.5° | 109.5° |
| C31 | C30 | C32 | 109.4° | 109.5° |
| C30 | C31 | H25 | 109.5° | 109.5° |
| C30 | C31 | H26 | 109.5° | 109.5° |
| C30 | C31 | H27 | 109.5° | 109.5° |
| C30 | C32 | H22 | 109.5° | 109.5° |
| C30 | C32 | H23 | 109.5° | 109.5° |
| C30 | C32 | H24 | 109.5° | 109.5° |
| H3 | C57 | H4 | 109.4° | 109.5° |
| H3 | C57 | H5 | 109.5° | 109.5° |
| H4 | C57 | H5 | 109.5° | 109.4° |
| H6 | C47 | H7 | 109.5° | 109.5° |
| H6 | C47 | H8 | 109.4° | 109.5° |
| H7 | C47 | H8 | 109.5° | 109.4° |
| H22 | C32 | H23 | 109.5° | 109.5° |
| H22 | C32 | H24 | 109.5° | 109.4° |
| H23 | C32 | H24 | 109.5° | 109.5° |
| H25 | C31 | H26 | 109.5° | 109.5° |
| H25 | C31 | H27 | 109.4° | 109.5° |
| H26 | C31 | H27 | 109.5° | 109.4° |
| H29 | C28 | H30 | 109.4° | 109.4° |
| H31 | C29 | H32 | 109.4° | 109.4° |
| H31 | C29 | H33 | 109.5° | 109.5° |
| H32 | C29 | H33 | 109.4° | 109.5° |
| H34 | C33 | H35 | 109.5° | 109.5° |
| H34 | C33 | H36 | 109.5° | 109.5° |
| H35 | C33 | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C57 | C5 | C51 | C52 | 41.6° | 37.4° |
| C57 | C5 | C4 | C47 | 25.9° | 0.1° |
| C57 | C5 | C51 | C4 | 126.2° | 123.2° |
| C57 | C5 | C51 | N1 | 123.1° | 122.9° |
| C57 | C5 | C4 | N1 | 118.4° | 118.5° |
| C57 | C5 | C51 | C56 | 139.4° | 142.4° |
| C57 | C5 | C4 | C41 | 98.5° | 122.9° |
| C57 | C5 | C4 | N3 | 141.1° | 118.5° |
| C57 | C5 | N1 | C2 | 136.1° | 118.6° |
| C57 | C5 | N1 | H1 | 43.9° | 61.2° |
| C5 | C57 | H3 | H4 | 120.0° | 120.1° |
| C5 | C57 | H3 | H5 | 120.0° | 119.9° |
| C5 | C57 | H4 | H5 | 120.0° | 119.9° |
| C53 | C52 | C51 | H15 | 180.0° | 179.6° |
| C52 | C53 | C54 | H14 | 180.0° | 179.8° |
| C53 | C52 | C51 | C5 | 176.3° | 179.7° |
| C53 | C52 | C51 | C56 | 2.6° | 0.5° |
| C52 | C53 | C54 | CL5 | 176.9° | 179.7° |
| C52 | C53 | C54 | C55 | 2.6° | 0.2° |
| C51 | C52 | C53 | C54 | 0.0° | 0.4° |
| C52 | C51 | C5 | C56 | 178.9° | 179.8° |
| C52 | C51 | C5 | C4 | 84.6° | 85.8° |
| C52 | C51 | C5 | N1 | 164.7° | 160.3° |
| C52 | C51 | C56 | C55 | 2.7° | 0.2° |
| C52 | C51 | C56 | H12 | 177.3° | 179.8° |
| C51 | C52 | C53 | H14 | 180.0° | 179.7° |
| C53 | C54 | CL5 | C55 | 179.5° | 179.9° |
| C53 | C54 | C55 | C56 | 2.5° | 0.1° |
| C53 | C54 | C55 | H13 | 177.5° | 179.9° |
| C54 | C53 | C52 | H15 | 180.0° | 180.0° |
| C42 | C43 | C44 | H17 | 180.0° | 180.0° |
| C43 | C42 | C41 | H16 | 180.0° | 179.9° |
| C42 | C43 | C44 | CL4 | 178.3° | 180.0° |
| C42 | C43 | C44 | C45 | 1.1° | 0.0° |
| C43 | C42 | C41 | C4 | 179.3° | 180.0° |
| C43 | C42 | C41 | C46 | 0.4° | 0.3° |
| C44 | C43 | C42 | C41 | 0.5° | 0.1° |
| C43 | C44 | CL4 | C45 | 179.4° | 179.9° |
| C43 | C44 | C45 | C46 | 0.9° | 0.2° |
| C44 | C43 | C42 | H16 | 179.5° | 180.0° |
| C43 | C44 | C45 | H18 | 179.1° | 180.0° |
| C42 | C41 | C4 | C47 | 24.3° | 36.8° |
| C42 | C41 | C4 | C5 | 100.0° | 85.9° |
| C42 | C41 | C4 | C46 | 178.9° | 179.7° |
| C42 | C41 | C4 | N3 | 144.3° | 159.5° |
| C42 | C41 | C46 | C45 | 0.6° | 0.6° |
| C41 | C42 | C43 | H17 | 179.5° | 180.0° |
| C42 | C41 | C46 | H19 | 179.4° | 179.7° |
| C47 | C4 | C5 | C51 | 152.0° | 122.9° |
| C47 | C4 | C5 | C41 | 124.4° | 122.7° |
| C47 | C4 | C5 | N3 | 115.2° | 118.6° |
| C47 | C4 | C5 | N1 | 92.5° | 118.6° |
| C47 | C4 | C41 | N3 | 120.0° | 122.7° |
| C47 | C4 | C41 | C46 | 154.6° | 142.8° |
| C47 | C4 | N3 | C2 | 94.7° | 118.7° |
| C4 | C47 | H6 | H7 | 120.0° | 120.0° |
| C4 | C47 | H6 | H8 | 120.0° | 120.0° |
| C4 | C47 | H7 | H8 | 120.0° | 119.9° |
| C51 | C5 | C4 | N1 | 115.5° | 118.5° |
| C51 | C5 | C4 | C41 | 27.7° | 0.2° |
| C51 | C5 | C4 | N3 | 92.8° | 118.5° |
| C51 | C5 | N1 | C2 | 100.6° | 118.5° |
| C5 | C51 | C56 | C55 | 176.2° | 180.0° |
| C51 | C5 | N1 | H1 | 79.4° | 61.7° |
| C51 | C5 | C57 | H3 | 180.0° | 59.2° |
| C51 | C5 | C57 | H4 | 60.0° | 179.3° |
| C51 | C5 | C57 | H5 | 60.0° | 60.8° |
| C5 | C51 | C56 | H12 | 3.8° | 0.0° |
| C5 | C51 | C52 | H15 | 3.7° | 0.2° |
| C4 | C5 | C51 | C56 | 94.4° | 94.4° |
| C5 | C4 | C41 | N3 | 115.6° | 114.6° |
| C5 | C4 | C41 | C46 | 81.1° | 94.4° |
| C4 | C5 | N1 | C2 | 17.4° | 0.1° |
| C5 | C4 | N3 | C2 | 21.6° | 0.0° |
| C4 | C5 | N1 | H1 | 162.6° | 179.7° |
| C4 | C5 | C57 | H3 | 53.7° | 177.6° |
| C4 | C5 | C57 | H4 | 66.3° | 57.6° |
| C4 | C5 | C57 | H5 | 173.7° | 62.4° |
| C5 | C4 | C47 | H6 | 180.0° | 60.0° |
| C5 | C4 | C47 | H7 | 60.0° | 179.9° |
| C5 | C4 | C47 | H8 | 60.0° | 60.0° |
| N1 | C5 | C51 | C56 | 16.4° | 19.5° |
| N1 | C5 | C4 | C41 | 143.2° | 118.7° |
| N1 | C5 | C4 | N3 | 22.7° | 0.0° |
| C5 | N1 | C2 | H1 | 180.0° | 179.8° |
| C5 | N1 | C2 | N3 | 5.1° | 0.1° |
| C5 | N1 | C2 | C21 | 176.4° | 179.7° |
| N1 | C5 | C57 | H3 | 58.4° | 63.7° |
| N1 | C5 | C57 | H4 | 178.4° | 56.4° |
| N1 | C5 | C57 | H5 | 61.6° | 176.3° |
| C51 | C56 | C55 | C54 | 0.2° | 0.0° |
| C51 | C56 | C55 | H12 | 180.0° | 180.0° |
| C51 | C56 | C55 | H13 | 179.9° | 180.0° |
| C56 | C51 | C52 | H15 | 177.4° | 180.0° |
| CL4 | C44 | C45 | C46 | 178.5° | 179.7° |
| CL4 | C44 | C43 | H17 | 1.7° | 0.0° |
| CL4 | C44 | C45 | H18 | 1.5° | 0.1° |
| C44 | C45 | C46 | C41 | 0.0° | 0.5° |
| C44 | C45 | C46 | H18 | 180.0° | 179.8° |
| C45 | C44 | C43 | H17 | 178.9° | 180.0° |
| C44 | C45 | C46 | H19 | 180.0° | 179.7° |
| CL5 | C54 | C55 | C56 | 176.9° | 180.0° |
| CL5 | C54 | C55 | H13 | 3.1° | 0.0° |
| CL5 | C54 | C53 | H14 | 3.1° | 0.1° |
| C54 | C55 | C56 | H13 | 180.0° | 180.0° |
| C54 | C55 | C56 | H12 | 179.8° | 180.0° |
| C55 | C54 | C53 | H14 | 177.4° | 180.0° |
| C4 | C41 | C46 | C45 | 179.5° | 179.7° |
| C41 | C4 | N3 | C2 | 144.4° | 118.6° |
| C41 | C4 | C47 | H6 | 53.0° | 177.4° |
| C41 | C4 | C47 | H7 | 67.0° | 57.3° |
| C41 | C4 | C47 | H8 | 173.0° | 62.6° |
| C4 | C41 | C42 | H16 | 0.7° | 0.0° |
| C4 | C41 | C46 | H19 | 0.5° | 0.0° |
| C46 | C41 | C4 | N3 | 34.6° | 20.2° |
| C41 | C46 | C45 | H19 | 180.0° | 179.7° |
| C46 | C41 | C42 | H16 | 179.6° | 179.7° |
| C41 | C46 | C45 | H18 | 180.0° | 179.7° |
| C4 | N3 | C2 | N1 | 11.3° | 0.0° |
| C4 | N3 | C2 | C21 | 167.1° | 179.7° |
| N3 | C4 | C47 | H6 | 68.6° | 54.7° |
| N3 | C4 | C47 | H7 | 171.4° | 65.4° |
| N3 | C4 | C47 | H8 | 51.4° | 174.7° |
| N1 | C2 | N3 | C21 | 178.4° | 179.6° |
| N1 | C2 | C21 | C26 | 30.6° | 180.0° |
| N1 | C2 | C21 | C22 | 148.8° | 0.4° |
| N3 | C2 | C21 | C26 | 151.1° | 0.4° |
| N3 | C2 | C21 | C22 | 29.5° | 180.0° |
| N3 | C2 | N1 | H1 | 174.9° | 179.7° |
| C2 | C21 | C26 | O27 | 1.4° | 0.0° |
| C2 | C21 | C26 | C22 | 179.4° | 179.6° |
| C2 | C21 | C26 | C25 | 178.7° | 179.8° |
| C2 | C21 | C22 | C23 | 178.8° | 180.0° |
| C21 | C2 | N1 | H1 | 3.5° | 0.1° |
| C2 | C21 | C22 | H20 | 1.2° | 0.1° |
| C29 | C28 | O27 | H29 | 120.0° | 120.0° |
| C29 | C28 | O27 | H30 | 120.0° | 120.0° |
| C29 | C28 | O27 | C26 | 179.9° | 180.0° |
| C29 | C28 | H29 | H30 | 120.0° | 120.0° |
| C28 | C29 | H31 | H32 | 120.0° | 120.0° |
| C28 | C29 | H31 | H33 | 120.0° | 120.0° |
| C28 | C29 | H32 | H33 | 120.0° | 120.0° |
| C28 | O27 | C26 | C21 | 176.2° | 180.0° |
| C28 | O27 | C26 | C25 | 3.7° | 0.2° |
| O27 | C28 | H29 | H30 | 120.0° | 120.0° |
| O27 | C28 | C29 | H31 | 180.0° | 60.0° |
| O27 | C28 | C29 | H32 | 60.0° | 60.0° |
| O27 | C28 | C29 | H33 | 60.0° | 180.0° |
| O27 | C26 | C21 | C25 | 179.9° | 179.7° |
| O27 | C26 | C21 | C22 | 179.1° | 179.7° |
| O27 | C26 | C25 | C24 | 179.3° | 179.7° |
| O27 | C26 | C25 | H28 | 0.7° | 0.0° |
| C26 | O27 | C28 | H29 | 59.8° | 60.0° |
| C26 | O27 | C28 | H30 | 60.1° | 60.0° |
| C26 | C21 | C22 | C23 | 0.7° | 0.3° |
| C21 | C26 | C25 | C24 | 0.6° | 0.6° |
| C26 | C21 | C22 | H20 | 179.4° | 179.7° |
| C21 | C26 | C25 | H28 | 179.4° | 179.7° |
| C22 | C21 | C26 | C25 | 0.8° | 0.6° |
| C21 | C22 | C23 | H20 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.3° | 0.0° |
| C21 | C22 | C23 | H21 | 179.7° | 180.0° |
| C26 | C25 | C24 | H28 | 180.0° | 179.7° |
| C26 | C25 | C24 | C23 | 0.2° | 0.3° |
| C26 | C25 | C24 | C30 | 179.1° | 179.8° |
| C22 | C23 | C24 | C25 | 0.1° | 0.0° |
| C22 | C23 | C24 | H21 | 180.0° | 180.0° |
| C22 | C23 | C24 | C30 | 179.2° | 180.0° |
| C25 | C24 | C23 | C30 | 179.3° | 180.0° |
| C25 | C24 | C30 | C33 | 122.5° | 60.0° |
| C25 | C24 | C30 | C31 | 2.0° | 180.0° |
| C25 | C24 | C30 | C32 | 118.0° | 60.0° |
| C25 | C24 | C23 | H21 | 179.9° | 180.0° |
| C23 | C24 | C30 | C33 | 58.2° | 120.0° |
| C23 | C24 | C30 | C31 | 178.8° | 0.0° |
| C23 | C24 | C30 | C32 | 61.3° | 120.0° |
| C24 | C23 | C22 | H20 | 179.7° | 180.0° |
| C23 | C24 | C25 | H28 | 179.8° | 180.0° |
| C24 | C30 | C33 | C31 | 120.9° | 120.0° |
| C24 | C30 | C33 | C32 | 119.4° | 120.0° |
| C24 | C30 | C31 | C32 | 119.7° | 120.0° |
| C30 | C24 | C23 | H21 | 0.8° | 0.0° |
| C24 | C30 | C32 | H22 | 180.0° | 60.0° |
| C24 | C30 | C32 | H23 | 60.0° | 180.0° |
| C24 | C30 | C32 | H24 | 60.0° | 60.0° |
| C24 | C30 | C31 | H25 | 180.0° | 60.0° |
| C24 | C30 | C31 | H26 | 60.0° | 180.0° |
| C24 | C30 | C31 | H27 | 60.0° | 60.0° |
| C30 | C24 | C25 | H28 | 1.0° | 0.0° |
| C24 | C30 | C33 | H34 | 180.0° | 60.1° |
| C24 | C30 | C33 | H35 | 60.0° | 180.0° |
| C24 | C30 | C33 | H36 | 60.0° | 60.0° |
| C33 | C30 | C31 | C32 | 119.4° | 120.0° |
| C33 | C30 | C32 | H22 | 60.0° | 180.0° |
| C33 | C30 | C32 | H23 | 180.0° | 60.0° |
| C33 | C30 | C32 | H24 | 60.0° | 60.0° |
| C33 | C30 | C31 | H25 | 59.2° | 60.0° |
| C33 | C30 | C31 | H26 | 60.8° | 60.0° |
| C33 | C30 | C31 | H27 | 179.1° | 180.0° |
| C30 | C33 | H34 | H35 | 120.0° | 120.0° |
| C30 | C33 | H34 | H36 | 120.0° | 120.0° |
| C30 | C33 | H35 | H36 | 120.0° | 120.1° |
| C31 | C30 | C32 | H22 | 59.6° | 60.0° |
| C31 | C30 | C32 | H23 | 60.4° | 60.0° |
| C31 | C30 | C32 | H24 | 179.6° | 180.0° |
| C30 | C31 | H25 | H26 | 120.0° | 120.0° |
| C30 | C31 | H25 | H27 | 120.0° | 120.0° |
| C30 | C31 | H26 | H27 | 120.0° | 120.0° |
| C31 | C30 | C33 | H34 | 59.0° | 180.0° |
| C31 | C30 | C33 | H35 | 179.1° | 60.0° |
| C31 | C30 | C33 | H36 | 60.9° | 60.0° |
| C30 | C32 | H22 | H23 | 120.0° | 120.0° |
| C30 | C32 | H22 | H24 | 120.0° | 120.0° |
| C30 | C32 | H23 | H24 | 120.0° | 120.0° |
| C32 | C30 | C31 | H25 | 60.3° | 180.0° |
| C32 | C30 | C31 | H26 | 179.7° | 60.0° |
| C32 | C30 | C31 | H27 | 59.7° | 60.0° |
| C32 | C30 | C33 | H34 | 60.6° | 60.0° |
| C32 | C30 | C33 | H35 | 59.5° | 60.0° |
| C32 | C30 | C33 | H36 | 179.5° | 180.0° |
| H3 | C57 | H4 | H5 | 120.0° | 120.0° |
| H6 | C47 | H7 | H8 | 119.9° | 120.0° |
| H12 | C56 | C55 | H13 | 0.1° | 0.0° |
| H14 | C53 | C52 | H15 | 0.0° | 0.1° |
| H16 | C42 | C43 | H17 | 0.5° | 0.0° |
| H18 | C45 | C46 | H19 | 0.0° | 0.1° |
| H20 | C22 | C23 | H21 | 0.3° | 0.0° |
| H22 | C32 | H23 | H24 | 120.0° | 119.9° |
| H25 | C31 | H26 | H27 | 120.0° | 120.0° |
| H29 | C28 | C29 | H31 | 60.0° | 180.0° |
| H29 | C28 | C29 | H32 | 60.0° | 60.0° |
| H29 | C28 | C29 | H33 | 180.0° | 60.0° |
| H30 | C28 | C29 | H31 | 60.0° | 60.0° |
| H30 | C28 | C29 | H32 | NaN° | 180.0° |
| H30 | C28 | C29 | H33 | 60.0° | 60.0° |
| H31 | C29 | H32 | H33 | 119.9° | 120.0° |
| H34 | C33 | H35 | H36 | 120.0° | 120.0° |
