1PM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C4 | sing | 1.37Å | 1.36Å | Aromatic |
| N3 | C2 | sing | 1.36Å | 1.33Å | Aromatic |
| N3 | C11 | sing | 1.39Å | 1.36Å | Aromatic |
| C4 | C5 | doub | 1.35Å | 1.36Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | NFE | sing | 1.34Å | 1.37Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| NFE | C2 | doub | 1.30Å | 1.33Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | N12 | doub | 1.32Å | 1.35Å | Aromatic |
| C11 | N16 | sing | 1.32Å | 1.37Å | Aromatic |
| N12 | C13 | sing | 1.33Å | 1.36Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.42Å | Aromatic |
| C13 | N21 | sing | 1.39Å | 1.35Å | |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | N16 | doub | 1.32Å | 1.35Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| N21 | C22 | sing | 1.47Å | 1.45Å | |
| N21 | C26 | sing | 1.47Å | 1.48Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | N24 | sing | 1.47Å | 1.45Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| N24 | C25 | sing | 1.47Å | 1.47Å | |
| N24 | C27 | sing | 1.35Å | 1.37Å | |
| C25 | C26 | sing | 1.53Å | 1.58Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | C31 | sing | 1.53Å | 1.58Å | |
| C27 | O28 | doub | 1.22Å | 1.26Å | |
| C27 | O29 | sing | 1.35Å | 1.36Å | |
| O29 | C30 | sing | 1.45Å | 1.43Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.51Å | 1.51Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | O33 | doub | 1.21Å | 1.27Å | |
| C32 | N34 | sing | 1.35Å | 1.37Å | |
| N34 | C36 | sing | 1.47Å | 1.44Å | |
| N34 | H35 | sing | 0.97Å | 1.00Å | |
| C36 | C41 | sing | 1.51Å | 1.47Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C41 | C42 | doub | 1.38Å | 1.41Å | Aromatic |
| C41 | C46 | sing | 1.38Å | 1.41Å | Aromatic |
| C42 | C43 | sing | 1.38Å | 1.41Å | Aromatic |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C43 | C44 | doub | 1.39Å | 1.41Å | Aromatic |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C44 | C45 | sing | 1.39Å | 1.37Å | Aromatic |
| C44 | O47 | sing | 1.36Å | 1.34Å | |
| C45 | C46 | doub | 1.39Å | 1.40Å | Aromatic |
| C45 | O49 | sing | 1.36Å | 1.34Å | |
| C46 | H46 | sing | 1.08Å | 1.08Å | |
| O47 | C48 | sing | 1.44Å | 1.42Å | |
| C48 | O49 | sing | 1.44Å | 1.43Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H251 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | N3 | C2 | 107.0° | 107.0° |
| C4 | N3 | C11 | 127.6° | 126.5° |
| N3 | C4 | C5 | 107.2° | 106.8° |
| N3 | C4 | H4 | 126.4° | 126.6° |
| C2 | N3 | C11 | 125.3° | 126.5° |
| N3 | C2 | NFE | 111.5° | 108.5° |
| N3 | C2 | H2 | 124.2° | 125.7° |
| N3 | C11 | N12 | 121.3° | 119.1° |
| N3 | C11 | N16 | 121.8° | 119.2° |
| C5 | C4 | H4 | 126.4° | 126.6° |
| C4 | C5 | NFE | 108.7° | 108.2° |
| C4 | C5 | H5 | 125.7° | 125.8° |
| NFE | C5 | H5 | 125.6° | 125.9° |
| C5 | NFE | C2 | 105.5° | 109.4° |
| NFE | C2 | H2 | 124.3° | 125.7° |
| N12 | C11 | N16 | 116.9° | 121.7° |
| C11 | N12 | C13 | 124.7° | 120.6° |
| C11 | N16 | C15 | 122.8° | 121.0° |
| N12 | C13 | C14 | 116.8° | 119.0° |
| N12 | C13 | N21 | 117.9° | 120.5° |
| C14 | C13 | N21 | 125.3° | 120.5° |
| C13 | C14 | C15 | 119.2° | 118.4° |
| C13 | C14 | H14 | 120.4° | 120.8° |
| C13 | N21 | C22 | 119.9° | 111.0° |
| C13 | N21 | C26 | 123.0° | 111.0° |
| C15 | C14 | H14 | 120.4° | 120.8° |
| C14 | C15 | N16 | 119.5° | 119.2° |
| C14 | C15 | H15 | 120.2° | 120.4° |
| N16 | C15 | H15 | 120.2° | 120.4° |
| C22 | N21 | C26 | 117.1° | 111.2° |
| N21 | C22 | C23 | 107.9° | 109.4° |
| N21 | C22 | H22 | 110.0° | 109.5° |
| N21 | C22 | H221 | 110.4° | 109.5° |
| N21 | C26 | C25 | 109.3° | 109.3° |
| N21 | C26 | C31 | 111.0° | 109.5° |
| N21 | C26 | H251 | 109.7° | 109.5° |
| C23 | C22 | H22 | 110.0° | 109.5° |
| C22 | C23 | N24 | 107.5° | 108.5° |
| C22 | C23 | H23 | 110.1° | 109.7° |
| C23 | C22 | H221 | 110.4° | 109.5° |
| C22 | C23 | H231 | 110.6° | 109.6° |
| H22 | C22 | H221 | 108.2° | 109.5° |
| N24 | C23 | H23 | 110.1° | 109.6° |
| C23 | N24 | C25 | 116.3° | 118.3° |
| C23 | N24 | C27 | 121.7° | 120.8° |
| N24 | C23 | H231 | 110.6° | 109.7° |
| H23 | C23 | H231 | 107.9° | 109.8° |
| C25 | N24 | C27 | 122.0° | 120.9° |
| N24 | C25 | C26 | 112.8° | 108.5° |
| N24 | C25 | H25 | 108.4° | 109.6° |
| N24 | C25 | H24 | 107.6° | 109.7° |
| N24 | C27 | O28 | 121.2° | 120.0° |
| N24 | C27 | O29 | 120.8° | 120.0° |
| C26 | C25 | H25 | 108.4° | 109.6° |
| C25 | C26 | C31 | 112.7° | 109.5° |
| C26 | C25 | H24 | 107.6° | 109.6° |
| C25 | C26 | H251 | 107.9° | 109.5° |
| H25 | C25 | H24 | 112.2° | 109.8° |
| C26 | C31 | C32 | 114.3° | 109.5° |
| C26 | C31 | H311 | 107.9° | 109.5° |
| C26 | C31 | H312 | 106.8° | 109.5° |
| C31 | C26 | H251 | 106.1° | 109.5° |
| O28 | C27 | O29 | 118.0° | 120.0° |
| C27 | O29 | C30 | 128.4° | 117.0° |
| O29 | C30 | H301 | 109.5° | 109.5° |
| O29 | C30 | H302 | 109.5° | 109.4° |
| O29 | C30 | H303 | 109.4° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H301 | C30 | H303 | 109.5° | 109.5° |
| H302 | C30 | H303 | 109.5° | 109.5° |
| C32 | C31 | H311 | 107.9° | 109.5° |
| C32 | C31 | H312 | 106.8° | 109.4° |
| C31 | C32 | O33 | 118.7° | 120.0° |
| C31 | C32 | N34 | 121.6° | 120.0° |
| H311 | C31 | H312 | 113.4° | 109.5° |
| O33 | C32 | N34 | 119.7° | 120.0° |
| C32 | N34 | C36 | 126.0° | 120.0° |
| C32 | N34 | H35 | 117.0° | 120.0° |
| C36 | N34 | H35 | 117.0° | 120.1° |
| N34 | C36 | C41 | 108.6° | 109.4° |
| N34 | C36 | H361 | 109.8° | 109.5° |
| N34 | C36 | H362 | 110.0° | 109.4° |
| C41 | C36 | H361 | 109.8° | 109.5° |
| C41 | C36 | H362 | 109.9° | 109.5° |
| C36 | C41 | C42 | 119.8° | 119.9° |
| C36 | C41 | C46 | 121.2° | 119.9° |
| H361 | C36 | H362 | 108.8° | 109.5° |
| C42 | C41 | C46 | 119.1° | 120.2° |
| C41 | C42 | C43 | 120.9° | 120.1° |
| C41 | C42 | H42 | 119.5° | 119.9° |
| C41 | C46 | C45 | 119.3° | 120.0° |
| C41 | C46 | H46 | 120.4° | 120.0° |
| C43 | C42 | H42 | 119.5° | 119.9° |
| C42 | C43 | C44 | 118.4° | 120.0° |
| C42 | C43 | H43 | 120.8° | 120.0° |
| C44 | C43 | H43 | 120.8° | 120.0° |
| C43 | C44 | C45 | 120.9° | 119.8° |
| C43 | C44 | O47 | 129.8° | 131.5° |
| C45 | C44 | O47 | 109.3° | 108.6° |
| C44 | C45 | C46 | 121.4° | 119.9° |
| C44 | C45 | O49 | 108.7° | 108.6° |
| C44 | O47 | C48 | 108.9° | 105.5° |
| C46 | C45 | O49 | 129.9° | 131.5° |
| C45 | C46 | H46 | 120.3° | 120.0° |
| C45 | O49 | C48 | 109.1° | 105.5° |
| O47 | C48 | O49 | 104.0° | 103.7° |
| O47 | C48 | H481 | 111.3° | 110.6° |
| O47 | C48 | H482 | 112.5° | 110.6° |
| O49 | C48 | H481 | 111.3° | 110.6° |
| O49 | C48 | H482 | 112.5° | 110.6° |
| H481 | C48 | H482 | 105.4° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | N3 | C2 | C11 | 179.2° | 179.7° |
| N3 | C4 | C5 | H4 | 180.0° | 179.9° |
| N3 | C4 | C5 | NFE | 0.9° | 0.1° |
| N3 | C4 | C5 | H5 | 179.2° | 180.0° |
| C4 | N3 | C2 | NFE | 0.6° | 0.0° |
| C4 | N3 | C2 | H2 | 179.4° | 180.0° |
| C4 | N3 | C11 | N12 | 179.0° | 174.4° |
| C4 | N3 | C11 | N16 | 0.9° | 5.8° |
| C2 | N3 | C4 | C5 | 0.9° | 0.0° |
| C2 | N3 | C4 | H4 | 179.1° | 180.0° |
| N3 | C2 | NFE | C5 | 0.0° | 0.1° |
| N3 | C2 | NFE | H2 | 180.0° | 180.0° |
| C2 | N3 | C11 | N12 | 2.0° | 5.9° |
| C2 | N3 | C11 | N16 | 179.9° | 173.9° |
| C11 | N3 | C4 | C5 | 180.0° | 179.8° |
| C11 | N3 | C4 | H4 | 0.0° | 0.3° |
| C11 | N3 | C2 | NFE | 179.7° | 179.7° |
| C11 | N3 | C2 | H2 | 0.3° | 0.2° |
| N3 | C11 | N12 | N16 | 178.2° | 179.7° |
| N3 | C11 | N12 | C13 | 178.2° | 180.0° |
| N3 | C11 | N16 | C15 | 178.2° | 179.7° |
| C4 | C5 | NFE | H5 | 180.0° | 179.9° |
| C4 | C5 | NFE | C2 | 0.5° | 0.1° |
| H4 | C4 | C5 | NFE | 179.1° | 180.0° |
| H4 | C4 | C5 | H5 | 0.9° | 0.1° |
| C5 | NFE | C2 | H2 | 180.0° | 180.0° |
| H5 | C5 | NFE | C2 | 179.5° | 180.0° |
| C11 | N12 | C13 | C14 | 0.2° | 0.0° |
| C11 | N12 | C13 | N21 | 179.1° | 180.0° |
| N12 | C11 | N16 | C15 | 0.0° | 0.5° |
| N16 | C11 | N12 | C13 | 0.0° | 0.3° |
| C11 | N16 | C15 | C14 | 0.2° | 0.5° |
| C11 | N16 | C15 | H15 | 179.8° | 179.7° |
| N12 | C13 | C14 | N21 | 178.9° | 180.0° |
| N12 | C13 | C14 | C15 | 0.3° | 0.1° |
| N12 | C13 | C14 | H14 | 179.7° | 180.0° |
| N12 | C13 | N21 | C22 | 8.6° | 60.1° |
| N12 | C13 | N21 | C26 | 169.9° | 64.2° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | N16 | 0.3° | 0.2° |
| C13 | C14 | C15 | H15 | 179.7° | 180.0° |
| C14 | C13 | N21 | C22 | 172.5° | 119.9° |
| C14 | C13 | N21 | C26 | 8.9° | 115.8° |
| N21 | C13 | C14 | C15 | 179.1° | 180.0° |
| N21 | C13 | C14 | H14 | 0.8° | 0.0° |
| C13 | N21 | C22 | C26 | 178.6° | 124.1° |
| C13 | N21 | C22 | C23 | 117.7° | 172.7° |
| C13 | N21 | C22 | H22 | 122.3° | 52.8° |
| C13 | N21 | C26 | C25 | 130.1° | 172.7° |
| C13 | N21 | C26 | C31 | 104.9° | 52.8° |
| C13 | N21 | C22 | H221 | 2.9° | 67.2° |
| C13 | N21 | C26 | H251 | 12.1° | 67.3° |
| C14 | C15 | N16 | H15 | 180.0° | 179.8° |
| H14 | C14 | C15 | N16 | 179.7° | 179.7° |
| H14 | C14 | C15 | H15 | 0.3° | 0.1° |
| N21 | C22 | C23 | H22 | 120.0° | 119.9° |
| N21 | C22 | C23 | H221 | 120.6° | 120.0° |
| N21 | C22 | H22 | H221 | 120.6° | 120.1° |
| N21 | C22 | C23 | N24 | 61.6° | 53.8° |
| N21 | C22 | C23 | H23 | 178.4° | 65.8° |
| C22 | N21 | C26 | C25 | 48.5° | 63.1° |
| C22 | N21 | C26 | C31 | 76.5° | 176.9° |
| N21 | C22 | C23 | H231 | 59.2° | 173.6° |
| C22 | N21 | C26 | H251 | 166.5° | 56.8° |
| C26 | N21 | C22 | C23 | 60.9° | 63.2° |
| C26 | N21 | C22 | H22 | 59.1° | 176.9° |
| N21 | C26 | C25 | N24 | 38.8° | 53.8° |
| N21 | C26 | C25 | C31 | 124.0° | 119.9° |
| N21 | C26 | C25 | H251 | 119.2° | 120.0° |
| N21 | C26 | C25 | H25 | 158.8° | 65.8° |
| N21 | C26 | C31 | H251 | 119.1° | 120.1° |
| N21 | C26 | C31 | C32 | 58.9° | 174.0° |
| N21 | C26 | C31 | H311 | 61.1° | 54.0° |
| N21 | C26 | C31 | H312 | 176.8° | 66.1° |
| C26 | N21 | C22 | H221 | 178.4° | 56.9° |
| N21 | C26 | C25 | H24 | 79.8° | 173.5° |
| C23 | C22 | H22 | H221 | 120.7° | 120.1° |
| C22 | C23 | N24 | H23 | 120.0° | 119.7° |
| C22 | C23 | N24 | H231 | 120.8° | 119.7° |
| C22 | C23 | H23 | H231 | 120.8° | 120.5° |
| C22 | C23 | N24 | C25 | 58.7° | 51.2° |
| C22 | C23 | N24 | C27 | 120.9° | 128.8° |
| H22 | C22 | C23 | N24 | 58.4° | 173.8° |
| H22 | C22 | C23 | H23 | 61.6° | 54.1° |
| H22 | C22 | C23 | H231 | 179.2° | 66.5° |
| N24 | C23 | H23 | H231 | 120.8° | 120.5° |
| C23 | N24 | C25 | C27 | 179.6° | 180.0° |
| C23 | N24 | C25 | C26 | 48.0° | 51.2° |
| C23 | N24 | C25 | H25 | 168.0° | 68.5° |
| C23 | N24 | C27 | O28 | 0.2° | 180.0° |
| C23 | N24 | C27 | O29 | 179.7° | 0.0° |
| N24 | C23 | C22 | H221 | 177.8° | 66.2° |
| C23 | N24 | C25 | H24 | 70.6° | 170.8° |
| H23 | C23 | N24 | C25 | 178.7° | 68.6° |
| H23 | C23 | N24 | C27 | 0.8° | 111.5° |
| H23 | C23 | C22 | H221 | 57.8° | 174.1° |
| N24 | C25 | C26 | H25 | 120.0° | 119.7° |
| N24 | C25 | C26 | H24 | 118.5° | 119.7° |
| N24 | C25 | H25 | H24 | 118.6° | 120.5° |
| N24 | C25 | C26 | C31 | 85.2° | 173.7° |
| C25 | N24 | C27 | O28 | 179.4° | 0.0° |
| C25 | N24 | C27 | O29 | 0.7° | 180.0° |
| C25 | N24 | C23 | H231 | 62.1° | 170.9° |
| N24 | C25 | C26 | H251 | 158.0° | 66.1° |
| C27 | N24 | C25 | C26 | 131.6° | 128.8° |
| C27 | N24 | C25 | H25 | 11.6° | 111.5° |
| N24 | C27 | O28 | O29 | 179.9° | 180.0° |
| N24 | C27 | O29 | C30 | 179.6° | 180.0° |
| C27 | N24 | C23 | H231 | 118.4° | 9.1° |
| C27 | N24 | C25 | H24 | 109.8° | 9.1° |
| C26 | C25 | H25 | H24 | 118.6° | 120.5° |
| C25 | C26 | C31 | H251 | 117.8° | 120.1° |
| C25 | C26 | C31 | C32 | 178.0° | 66.2° |
| C25 | C26 | C31 | H311 | 62.0° | 173.8° |
| C25 | C26 | C31 | H312 | 60.2° | 53.7° |
| H25 | C25 | C26 | C31 | 34.8° | 54.1° |
| H25 | C25 | C26 | H251 | 82.0° | 174.2° |
| C26 | C31 | C32 | H311 | 120.0° | 120.0° |
| C26 | C31 | C32 | H312 | 117.8° | 120.0° |
| C26 | C31 | H311 | H312 | 118.0° | 120.1° |
| C26 | C31 | C32 | O33 | 83.6° | 6.3° |
| C26 | C31 | C32 | N34 | 96.1° | 173.8° |
| C31 | C26 | C25 | H24 | 156.3° | 66.5° |
| O28 | C27 | O29 | C30 | 0.3° | 0.0° |
| C27 | O29 | C30 | H301 | 172.6° | 180.0° |
| C27 | O29 | C30 | H302 | 67.4° | 60.0° |
| C27 | O29 | C30 | H303 | 52.6° | 60.0° |
| O29 | C30 | H301 | H302 | 120.0° | 119.9° |
| O29 | C30 | H301 | H303 | 120.0° | 120.0° |
| O29 | C30 | H302 | H303 | 120.0° | 120.0° |
| H301 | C30 | H302 | H303 | 120.0° | 120.0° |
| C32 | C31 | H311 | H312 | 118.0° | 120.0° |
| C31 | C32 | O33 | N34 | 179.8° | 179.9° |
| C31 | C32 | N34 | C36 | 179.5° | 174.9° |
| C31 | C32 | N34 | H35 | 0.5° | 5.1° |
| C32 | C31 | C26 | H251 | 60.2° | 53.9° |
| H311 | C31 | C32 | O33 | 156.4° | 113.7° |
| H311 | C31 | C32 | N34 | 23.8° | 66.2° |
| H311 | C31 | C26 | H251 | 179.8° | 66.1° |
| H312 | C31 | C32 | O33 | 34.2° | 126.3° |
| H312 | C31 | C32 | N34 | 146.0° | 53.8° |
| H312 | C31 | C26 | H251 | 57.6° | 173.8° |
| O33 | C32 | N34 | C36 | 0.3° | 5.0° |
| O33 | C32 | N34 | H35 | 179.7° | 174.9° |
| C32 | N34 | C36 | H35 | 180.0° | 179.9° |
| C32 | N34 | C36 | C41 | 137.6° | 175.3° |
| C32 | N34 | C36 | H361 | 102.4° | 55.3° |
| C32 | N34 | C36 | H362 | 17.3° | 64.7° |
| N34 | C36 | C41 | H361 | 120.0° | 120.0° |
| N34 | C36 | C41 | H362 | 120.3° | 119.9° |
| N34 | C36 | H361 | H362 | 120.4° | 119.9° |
| N34 | C36 | C41 | C42 | 101.0° | 90.0° |
| N34 | C36 | C41 | C46 | 78.8° | 90.3° |
| H35 | N34 | C36 | C41 | 42.4° | 4.6° |
| H35 | N34 | C36 | H361 | 77.6° | 124.6° |
| H35 | N34 | C36 | H362 | 162.7° | 115.4° |
| C41 | C36 | H361 | H362 | 120.3° | 120.1° |
| C36 | C41 | C42 | C46 | 179.8° | 179.7° |
| C36 | C41 | C42 | C43 | 178.9° | 180.0° |
| C36 | C41 | C42 | H42 | 1.1° | 0.1° |
| C36 | C41 | C46 | C45 | 178.8° | 179.7° |
| C36 | C41 | C46 | H46 | 1.2° | 0.0° |
| H361 | C36 | C41 | C42 | 19.1° | 30.0° |
| H361 | C36 | C41 | C46 | 161.1° | 149.7° |
| H362 | C36 | C41 | C42 | 138.7° | 150.0° |
| H362 | C36 | C41 | C46 | 41.5° | 29.7° |
| C41 | C42 | C43 | H42 | 180.0° | 179.9° |
| C41 | C42 | C43 | C44 | 1.4° | 0.1° |
| C41 | C42 | C43 | H43 | 178.6° | 180.0° |
| C42 | C41 | C46 | C45 | 1.0° | 0.6° |
| C42 | C41 | C46 | H46 | 179.0° | 179.7° |
| C46 | C41 | C42 | C43 | 0.9° | 0.3° |
| C46 | C41 | C42 | H42 | 179.1° | 179.8° |
| C41 | C46 | C45 | C44 | 1.7° | 0.6° |
| C41 | C46 | C45 | H46 | 180.0° | 179.7° |
| C41 | C46 | C45 | O49 | 179.6° | 179.8° |
| C42 | C43 | C44 | H43 | 180.0° | 180.0° |
| C42 | C43 | C44 | C45 | 2.0° | 0.0° |
| C42 | C43 | C44 | O47 | 179.5° | 180.0° |
| H42 | C42 | C43 | C44 | 178.6° | 180.0° |
| H42 | C42 | C43 | H43 | 1.4° | 0.1° |
| C43 | C44 | C45 | O47 | 178.0° | 179.9° |
| C43 | C44 | C45 | C46 | 2.1° | 0.3° |
| C43 | C44 | C45 | O49 | 179.5° | 180.0° |
| C43 | C44 | O47 | C48 | 179.1° | 162.8° |
| H43 | C43 | C44 | C45 | 178.0° | 180.0° |
| H43 | C43 | C44 | O47 | 0.5° | 0.1° |
| C44 | C45 | C46 | O49 | 177.9° | 179.7° |
| C44 | C45 | C46 | H46 | 178.4° | 179.7° |
| C45 | C44 | O47 | C48 | 1.3° | 17.3° |
| C44 | C45 | O49 | C48 | 1.1° | 17.3° |
| O47 | C44 | C45 | C46 | 179.8° | 179.8° |
| O47 | C44 | C45 | O49 | 1.5° | 0.0° |
| C44 | O47 | C48 | O49 | 0.5° | 27.2° |
| C44 | O47 | C48 | H481 | 120.6° | 145.7° |
| C44 | O47 | C48 | H482 | 121.5° | 91.4° |
| C46 | C45 | O49 | C48 | 179.3° | 162.4° |
| O49 | C45 | C46 | H46 | 0.4° | 0.0° |
| C45 | O49 | C48 | O47 | 0.4° | 27.1° |
| C45 | O49 | C48 | H481 | 119.6° | 145.7° |
| C45 | O49 | C48 | H482 | 122.4° | 91.4° |
| O47 | C48 | O49 | H481 | 120.0° | 118.6° |
| O47 | C48 | O49 | H482 | 122.0° | 118.6° |
| O47 | C48 | H481 | H482 | 122.2° | 122.9° |
| O49 | C48 | H481 | H482 | 122.2° | 122.8° |
| H221 | C22 | C23 | H231 | 61.4° | 53.5° |
| H24 | C25 | C26 | H251 | 39.5° | 53.6° |
