R56
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C10 | sing | 1.38Å | 1.42Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C3 | C5 | sing | 1.38Å | 1.42Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C5 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C12 | sing | 1.51Å | 1.54Å | |
| C8 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C12 | S15 | sing | 1.81Å | 1.85Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| S15 | O16 | doub | 1.42Å | 1.51Å | |
| S15 | O17 | doub | 1.42Å | 1.41Å | |
| S15 | N18 | sing | 1.66Å | 1.69Å | |
| N18 | C20 | sing | 1.46Å | 1.47Å | |
| N18 | HNI | sing | 0.97Å | 1.02Å | |
| C20 | C22 | sing | 1.50Å | 1.51Å | |
| C20 | C30 | sing | 1.53Å | 1.55Å | |
| C20 | H20 | sing | 1.09Å | 1.12Å | |
| C22 | O23 | doub | 1.21Å | 1.24Å | |
| C22 | N24 | sing | 1.36Å | 1.36Å | |
| N24 | C25 | sing | 1.48Å | 1.44Å | |
| N24 | C37 | sing | 1.47Å | 1.48Å | |
| C25 | C27 | sing | 1.52Å | 1.51Å | |
| C25 | S33 | sing | 1.84Å | 1.75Å | |
| C25 | H25 | sing | 1.09Å | 1.11Å | |
| C27 | C30 | sing | 1.53Å | 1.54Å | |
| C27 | H271 | sing | 1.09Å | 1.11Å | |
| C27 | H272 | sing | 1.09Å | 1.12Å | |
| C30 | H301 | sing | 1.09Å | 1.11Å | |
| C30 | H302 | sing | 1.09Å | 1.11Å | |
| S33 | C34 | sing | 1.85Å | 1.81Å | |
| C34 | C37 | sing | 1.55Å | 1.49Å | |
| C34 | H341 | sing | 1.09Å | 1.12Å | |
| C34 | H342 | sing | 1.09Å | 1.12Å | |
| C37 | C39 | sing | 1.51Å | 1.57Å | |
| C37 | H37 | sing | 1.09Å | 1.12Å | |
| C39 | O40 | doub | 1.21Å | 1.23Å | |
| C39 | N41 | sing | 1.35Å | 1.37Å | |
| N41 | C43 | sing | 1.46Å | 1.45Å | |
| N41 | HN | sing | 0.97Å | 1.02Å | |
| C43 | C46 | sing | 1.53Å | 1.52Å | |
| C43 | H431 | sing | 1.09Å | 1.12Å | |
| C43 | H432 | sing | 1.09Å | 1.12Å | |
| C46 | C49 | sing | 1.53Å | 1.51Å | |
| C46 | H461 | sing | 1.09Å | 1.12Å | |
| C46 | H462 | sing | 1.09Å | 1.12Å | |
| C49 | N52 | sing | 1.47Å | 1.48Å | |
| C49 | H491 | sing | 1.09Å | 1.11Å | |
| C49 | H492 | sing | 1.09Å | 1.12Å | |
| N52 | C54 | sing | 1.38Å | 1.32Å | |
| N52 | HN2 | sing | 0.97Å | 1.02Å | |
| C54 | N55 | sing | 1.37Å | 1.29Å | |
| C54 | N58 | doub | 1.30Å | 1.30Å | |
| N55 | HN51 | sing | 0.97Å | 1.02Å | |
| N55 | HN52 | sing | 0.97Å | 1.02Å | |
| N58 | HN8 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C1 | C10 | 119.5° | 120.0° |
| C3 | C1 | H1 | 119.4° | 120.0° |
| C1 | C3 | C5 | 119.4° | 120.0° |
| C1 | C3 | H3 | 119.2° | 120.0° |
| C10 | C1 | H1 | 121.1° | 120.0° |
| C1 | C10 | C8 | 120.8° | 120.0° |
| C1 | C10 | H10 | 120.5° | 120.0° |
| C5 | C3 | H3 | 121.4° | 119.9° |
| C3 | C5 | C7 | 120.3° | 120.0° |
| C3 | C5 | H5 | 120.4° | 120.0° |
| C7 | C5 | H5 | 119.4° | 120.0° |
| C5 | C7 | C8 | 119.7° | 120.0° |
| C5 | C7 | C12 | 120.4° | 120.0° |
| C8 | C7 | C12 | 119.8° | 120.0° |
| C7 | C8 | C10 | 120.3° | 120.0° |
| C7 | C8 | H8 | 119.7° | 120.0° |
| C7 | C12 | S15 | 107.3° | 109.5° |
| C7 | C12 | H121 | 113.0° | 109.5° |
| C7 | C12 | H122 | 113.0° | 109.5° |
| C10 | C8 | H8 | 120.1° | 120.0° |
| C8 | C10 | H10 | 118.7° | 120.0° |
| S15 | C12 | H121 | 113.0° | 109.5° |
| S15 | C12 | H122 | 113.0° | 109.5° |
| C12 | S15 | O16 | 109.4° | 111.6° |
| C12 | S15 | O17 | 108.8° | 111.6° |
| C12 | S15 | N18 | 99.2° | 103.2° |
| H121 | C12 | H122 | 97.5° | 109.4° |
| O16 | S15 | O17 | 119.3° | 122.1° |
| O16 | S15 | N18 | 107.9° | 102.9° |
| O17 | S15 | N18 | 110.5° | 102.8° |
| S15 | N18 | C20 | 120.7° | 120.0° |
| S15 | N18 | HNI | 108.2° | 119.9° |
| C20 | N18 | HNI | 108.2° | 120.0° |
| N18 | C20 | C22 | 109.4° | 109.4° |
| N18 | C20 | C30 | 108.7° | 109.3° |
| N18 | C20 | H20 | 110.7° | 109.4° |
| C22 | C20 | C30 | 111.6° | 110.0° |
| C22 | C20 | H20 | 107.7° | 109.4° |
| C20 | C22 | O23 | 120.0° | 119.3° |
| C20 | C22 | N24 | 116.4° | 121.6° |
| C30 | C20 | H20 | 108.6° | 109.3° |
| C20 | C30 | C27 | 114.1° | 109.5° |
| C20 | C30 | H301 | 110.5° | 109.5° |
| C20 | C30 | H302 | 110.5° | 109.5° |
| O23 | C22 | N24 | 123.5° | 119.1° |
| C22 | N24 | C25 | 119.9° | 123.7° |
| C22 | N24 | C37 | 121.2° | 124.2° |
| C25 | N24 | C37 | 118.8° | 112.1° |
| N24 | C25 | C27 | 111.3° | 111.2° |
| N24 | C25 | S33 | 103.2° | 100.0° |
| N24 | C25 | H25 | 111.5° | 112.0° |
| N24 | C37 | C34 | 105.2° | 113.9° |
| N24 | C37 | C39 | 112.2° | 108.6° |
| N24 | C37 | H37 | 110.8° | 108.6° |
| C27 | C25 | S33 | 106.5° | 109.3° |
| C27 | C25 | H25 | 108.4° | 111.7° |
| C25 | C27 | C30 | 112.0° | 110.1° |
| C25 | C27 | H271 | 111.2° | 109.4° |
| C25 | C27 | H272 | 111.3° | 109.4° |
| S33 | C25 | H25 | 115.8° | 112.0° |
| C25 | S33 | C34 | 93.0° | 97.0° |
| C30 | C27 | H271 | 111.3° | 109.4° |
| C30 | C27 | H272 | 111.3° | 109.4° |
| C27 | C30 | H301 | 110.5° | 109.5° |
| C27 | C30 | H302 | 110.5° | 109.4° |
| H271 | C27 | H272 | 99.1° | 109.3° |
| H301 | C30 | H302 | 99.9° | 109.5° |
| S33 | C34 | C37 | 105.0° | 101.6° |
| S33 | C34 | H341 | 113.9° | 111.0° |
| S33 | C34 | H342 | 113.9° | 111.0° |
| C37 | C34 | H341 | 113.9° | 111.0° |
| C37 | C34 | H342 | 113.9° | 111.0° |
| C34 | C37 | C39 | 110.1° | 108.5° |
| C34 | C37 | H37 | 112.7° | 108.6° |
| H341 | C34 | H342 | 96.5° | 111.0° |
| C39 | C37 | H37 | 105.9° | 108.5° |
| C37 | C39 | O40 | 120.9° | 120.0° |
| C37 | C39 | N41 | 116.5° | 120.1° |
| O40 | C39 | N41 | 122.6° | 119.9° |
| C39 | N41 | C43 | 118.1° | 120.1° |
| C39 | N41 | HN | 118.4° | 119.9° |
| C43 | N41 | HN | 123.6° | 120.0° |
| N41 | C43 | C46 | 110.0° | 109.5° |
| N41 | C43 | H431 | 112.0° | 109.5° |
| N41 | C43 | H432 | 112.0° | 109.5° |
| C46 | C43 | H431 | 112.0° | 109.5° |
| C46 | C43 | H432 | 112.0° | 109.5° |
| C43 | C46 | C49 | 108.5° | 109.5° |
| C43 | C46 | H461 | 112.6° | 109.5° |
| C43 | C46 | H462 | 112.6° | 109.4° |
| H431 | C43 | H432 | 98.4° | 109.4° |
| C49 | C46 | H461 | 112.6° | 109.5° |
| C49 | C46 | H462 | 112.6° | 109.5° |
| C46 | C49 | N52 | 110.8° | 109.5° |
| C46 | C49 | H491 | 111.7° | 109.5° |
| C46 | C49 | H492 | 111.7° | 109.4° |
| H461 | C46 | H462 | 97.8° | 109.5° |
| N52 | C49 | H491 | 111.8° | 109.5° |
| N52 | C49 | H492 | 111.7° | 109.4° |
| C49 | N52 | C54 | 120.8° | 120.0° |
| C49 | N52 | HN2 | 108.1° | 119.9° |
| H491 | C49 | H492 | 98.7° | 109.5° |
| C54 | N52 | HN2 | 108.2° | 120.1° |
| N52 | C54 | N55 | 120.5° | 120.0° |
| N52 | C54 | N58 | 120.3° | 120.0° |
| N55 | C54 | N58 | 119.2° | 120.0° |
| C54 | N55 | HN51 | 120.4° | 120.0° |
| C54 | N55 | HN52 | 108.3° | 120.0° |
| C54 | N58 | HN8 | 109.3° | 120.0° |
| HN51 | N55 | HN52 | 108.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C1 | C10 | H1 | 179.9° | 179.9° |
| C1 | C3 | C5 | H3 | 179.9° | 180.0° |
| C1 | C3 | C5 | C7 | 0.5° | 0.0° |
| C1 | C3 | C5 | H5 | 179.5° | 180.0° |
| C3 | C1 | C10 | C8 | 0.1° | 0.1° |
| C3 | C1 | C10 | H10 | 179.9° | 179.9° |
| C10 | C1 | C3 | C5 | 0.0° | 0.1° |
| C10 | C1 | C3 | H3 | 179.9° | 180.0° |
| C1 | C10 | C8 | C7 | 0.4° | 0.3° |
| C1 | C10 | C8 | H10 | 180.0° | 180.0° |
| C1 | C10 | C8 | H8 | 179.7° | 179.9° |
| H1 | C1 | C3 | C5 | 179.9° | 180.0° |
| H1 | C1 | C3 | H3 | 0.0° | 0.0° |
| H1 | C1 | C10 | C8 | 179.8° | 179.8° |
| H1 | C1 | C10 | H10 | 0.1° | 0.1° |
| C3 | C5 | C7 | H5 | 180.0° | 180.0° |
| C3 | C5 | C7 | C8 | 1.0° | 0.3° |
| C3 | C5 | C7 | C12 | 179.6° | 180.0° |
| H3 | C3 | C5 | C7 | 179.4° | 180.0° |
| H3 | C3 | C5 | H5 | 0.6° | 0.0° |
| C5 | C7 | C8 | C12 | 178.6° | 179.7° |
| C5 | C7 | C8 | C10 | 0.9° | 0.4° |
| C5 | C7 | C8 | H8 | 179.2° | 180.0° |
| C5 | C7 | C12 | S15 | 68.0° | 90.0° |
| C5 | C7 | C12 | H121 | 57.3° | 30.0° |
| C5 | C7 | C12 | H122 | 166.8° | 150.0° |
| H5 | C5 | C7 | C8 | 179.0° | 179.7° |
| H5 | C5 | C7 | C12 | 0.4° | 0.0° |
| C7 | C8 | C10 | H8 | 179.9° | 179.6° |
| C7 | C8 | C10 | H10 | 179.6° | 179.7° |
| C8 | C7 | C12 | S15 | 113.4° | 90.3° |
| C8 | C7 | C12 | H121 | 121.3° | 149.7° |
| C8 | C7 | C12 | H122 | 11.8° | 29.7° |
| C12 | C7 | C8 | C10 | 179.5° | 179.9° |
| C12 | C7 | C8 | H8 | 0.5° | 0.3° |
| C7 | C12 | S15 | H121 | 125.3° | 120.0° |
| C7 | C12 | S15 | H122 | 125.2° | 120.0° |
| C7 | C12 | H121 | H122 | 118.9° | 120.0° |
| C7 | C12 | S15 | O16 | 55.8° | 70.2° |
| C7 | C12 | S15 | O17 | 172.4° | 70.2° |
| C7 | C12 | S15 | N18 | 56.9° | 180.0° |
| H8 | C8 | C10 | H10 | 0.3° | 0.1° |
| S15 | C12 | H121 | H122 | 118.9° | 120.0° |
| C12 | S15 | O16 | O17 | 126.0° | 135.7° |
| C12 | S15 | O16 | N18 | 106.9° | 110.0° |
| C12 | S15 | O17 | N18 | 107.9° | 110.0° |
| C12 | S15 | N18 | C20 | 134.7° | 60.1° |
| C12 | S15 | N18 | HNI | 9.5° | 120.0° |
| H121 | C12 | S15 | O16 | 69.5° | 169.8° |
| H121 | C12 | S15 | O17 | 62.3° | 49.8° |
| H121 | C12 | S15 | N18 | 177.8° | 60.0° |
| H122 | C12 | S15 | O16 | 178.9° | 49.8° |
| H122 | C12 | S15 | O17 | 47.1° | 169.8° |
| H122 | C12 | S15 | N18 | 68.3° | 60.0° |
| O16 | S15 | O17 | N18 | 125.8° | 114.4° |
| O16 | S15 | N18 | C20 | 20.8° | 176.3° |
| O16 | S15 | N18 | HNI | 104.4° | 3.8° |
| O17 | S15 | N18 | C20 | 111.2° | 56.1° |
| O17 | S15 | N18 | HNI | 123.6° | 123.8° |
| S15 | N18 | C20 | HNI | 125.3° | 179.9° |
| S15 | N18 | C20 | C22 | 159.7° | 119.5° |
| S15 | N18 | C20 | C30 | 78.2° | 120.0° |
| S15 | N18 | C20 | H20 | 41.0° | 0.3° |
| N18 | C20 | C22 | C30 | 120.4° | 120.1° |
| N18 | C20 | C22 | H20 | 120.5° | 119.8° |
| N18 | C20 | C30 | H20 | 120.6° | 119.8° |
| N18 | C20 | C22 | O23 | 16.7° | 87.9° |
| N18 | C20 | C22 | N24 | 164.3° | 92.5° |
| N18 | C20 | C30 | C27 | 157.4° | 67.9° |
| N18 | C20 | C30 | H301 | 32.2° | 172.1° |
| N18 | C20 | C30 | H302 | 77.4° | 52.1° |
| HNI | N18 | C20 | C22 | 75.0° | 60.4° |
| HNI | N18 | C20 | C30 | 47.1° | 60.1° |
| HNI | N18 | C20 | H20 | 166.3° | 179.8° |
| C22 | C20 | C30 | H20 | 118.6° | 120.1° |
| C20 | C22 | O23 | N24 | 178.9° | 179.6° |
| C20 | C22 | N24 | C25 | 1.1° | 13.4° |
| C20 | C22 | N24 | C37 | 179.2° | 165.9° |
| C22 | C20 | C30 | C27 | 36.5° | 52.2° |
| C22 | C20 | C30 | H301 | 88.7° | 67.8° |
| C22 | C20 | C30 | H302 | 161.7° | 172.2° |
| C30 | C20 | C22 | O23 | 137.1° | 152.0° |
| C30 | C20 | C22 | N24 | 43.9° | 27.6° |
| C20 | C30 | C27 | C25 | 9.0° | 64.7° |
| C20 | C30 | C27 | H301 | 125.2° | 120.0° |
| C20 | C30 | C27 | H302 | 125.2° | 120.0° |
| C20 | C30 | C27 | H271 | 134.2° | 175.1° |
| C20 | C30 | C27 | H272 | 116.2° | 55.5° |
| C20 | C30 | H301 | H302 | 116.4° | 120.0° |
| H20 | C20 | C22 | O23 | 103.8° | 31.9° |
| H20 | C20 | C22 | N24 | 75.2° | 147.7° |
| H20 | C20 | C30 | C27 | 82.1° | 172.4° |
| H20 | C20 | C30 | H301 | 152.7° | 52.4° |
| H20 | C20 | C30 | H302 | 43.1° | 67.6° |
| O23 | C22 | N24 | C25 | 179.9° | 166.2° |
| O23 | C22 | N24 | C37 | 0.2° | 14.5° |
| C22 | N24 | C25 | C37 | 179.8° | 179.4° |
| C22 | N24 | C25 | C27 | 48.3° | 23.1° |
| C22 | N24 | C25 | S33 | 162.2° | 138.6° |
| C22 | N24 | C25 | H25 | 72.9° | 102.7° |
| C22 | N24 | C37 | C34 | 171.5° | 146.5° |
| C22 | N24 | C37 | C39 | 51.8° | 92.4° |
| C22 | N24 | C37 | H37 | 66.3° | 25.4° |
| N24 | C25 | C27 | S33 | 111.8° | 109.5° |
| N24 | C25 | C27 | H25 | 122.9° | 126.0° |
| N24 | C25 | S33 | H25 | 122.1° | 118.8° |
| N24 | C25 | C27 | C30 | 50.9° | 47.8° |
| N24 | C25 | C27 | H271 | 176.1° | 168.0° |
| N24 | C25 | C27 | H272 | 74.4° | 72.3° |
| N24 | C25 | S33 | C34 | 30.3° | 32.2° |
| C25 | N24 | C37 | C34 | 8.7° | 32.9° |
| C25 | N24 | C37 | C39 | 128.5° | 88.2° |
| C25 | N24 | C37 | H37 | 113.4° | 154.0° |
| C37 | N24 | C25 | C27 | 131.5° | 156.2° |
| C37 | N24 | C25 | S33 | 17.6° | 40.8° |
| C37 | N24 | C25 | H25 | 107.4° | 78.0° |
| N24 | C37 | C34 | S33 | 30.0° | 6.0° |
| N24 | C37 | C34 | C39 | 121.1° | 121.1° |
| N24 | C37 | C34 | H37 | 120.9° | 121.1° |
| N24 | C37 | C34 | H341 | 155.3° | 124.1° |
| N24 | C37 | C34 | H342 | 95.3° | 112.0° |
| N24 | C37 | C39 | H37 | 121.0° | 117.9° |
| N24 | C37 | C39 | O40 | 42.5° | 2.9° |
| N24 | C37 | C39 | N41 | 139.9° | 177.2° |
| C27 | C25 | S33 | H25 | 120.6° | 124.4° |
| C25 | C27 | C30 | H271 | 125.2° | 120.2° |
| C25 | C27 | C30 | H272 | 125.2° | 120.2° |
| C25 | C27 | H271 | H272 | 117.1° | 119.7° |
| C25 | C27 | C30 | H301 | 134.2° | 55.3° |
| C25 | C27 | C30 | H302 | 116.2° | 175.3° |
| C27 | C25 | S33 | C34 | 147.6° | 149.0° |
| S33 | C25 | C27 | C30 | 162.7° | 157.3° |
| S33 | C25 | C27 | H271 | 72.1° | 82.5° |
| S33 | C25 | C27 | H272 | 37.4° | 37.2° |
| C25 | S33 | C34 | C37 | 36.8° | 15.8° |
| C25 | S33 | C34 | H341 | 162.1° | 102.4° |
| C25 | S33 | C34 | H342 | 88.5° | 133.8° |
| H25 | C25 | C27 | C30 | 72.0° | 78.1° |
| H25 | C25 | C27 | H271 | 53.2° | 42.1° |
| H25 | C25 | C27 | H272 | 162.7° | 161.7° |
| H25 | C25 | S33 | C34 | 91.7° | 86.6° |
| C30 | C27 | H271 | H272 | 117.2° | 119.7° |
| C27 | C30 | H301 | H302 | 116.4° | 119.9° |
| H271 | C27 | C30 | H301 | 100.6° | 64.9° |
| H271 | C27 | C30 | H302 | 9.0° | 55.1° |
| H272 | C27 | C30 | H301 | 9.0° | 175.5° |
| H272 | C27 | C30 | H302 | 118.6° | 64.6° |
| S33 | C34 | C37 | H341 | 125.3° | 118.1° |
| S33 | C34 | C37 | H342 | 125.3° | 118.0° |
| S33 | C34 | H341 | H342 | 119.8° | 123.9° |
| S33 | C34 | C37 | C39 | 151.1° | 115.1° |
| S33 | C34 | C37 | H37 | 90.9° | 127.2° |
| C37 | C34 | H341 | H342 | 119.8° | 123.9° |
| C34 | C37 | C39 | H37 | 122.2° | 117.8° |
| C34 | C37 | C39 | O40 | 74.4° | 121.5° |
| C34 | C37 | C39 | N41 | 103.3° | 58.5° |
| H341 | C34 | C37 | C39 | 83.6° | 3.0° |
| H341 | C34 | C37 | H37 | 34.4° | 114.8° |
| H342 | C34 | C37 | C39 | 25.8° | 126.9° |
| H342 | C34 | C37 | H37 | 143.8° | 9.2° |
| C37 | C39 | O40 | N41 | 177.5° | 179.9° |
| C37 | C39 | N41 | C43 | 180.0° | 180.0° |
| C37 | C39 | N41 | HN | 0.1° | 0.1° |
| H37 | C37 | C39 | O40 | 163.5° | 120.8° |
| H37 | C37 | C39 | N41 | 18.9° | 59.3° |
| O40 | C39 | N41 | C43 | 2.4° | 0.0° |
| O40 | C39 | N41 | HN | 177.5° | 180.0° |
| C39 | N41 | C43 | HN | 179.9° | 180.0° |
| C39 | N41 | C43 | C46 | 168.4° | 180.0° |
| C39 | N41 | C43 | H431 | 66.3° | 59.9° |
| C39 | N41 | C43 | H432 | 43.2° | 60.0° |
| N41 | C43 | C46 | H431 | 125.3° | 120.0° |
| N41 | C43 | C46 | H432 | 125.3° | 120.0° |
| N41 | C43 | H431 | H432 | 118.0° | 120.0° |
| N41 | C43 | C46 | C49 | 69.9° | 180.0° |
| N41 | C43 | C46 | H461 | 55.4° | 60.0° |
| N41 | C43 | C46 | H462 | 164.8° | 60.0° |
| HN | N41 | C43 | C46 | 11.6° | 0.0° |
| HN | N41 | C43 | H431 | 113.6° | 120.0° |
| HN | N41 | C43 | H432 | 136.9° | 120.0° |
| C46 | C43 | H431 | H432 | 117.9° | 120.0° |
| C43 | C46 | C49 | H461 | 125.3° | 120.0° |
| C43 | C46 | C49 | H462 | 125.3° | 119.9° |
| C43 | C46 | H461 | H462 | 118.5° | 120.0° |
| C43 | C46 | C49 | N52 | 68.9° | 180.0° |
| C43 | C46 | C49 | H491 | 56.4° | 59.9° |
| C43 | C46 | C49 | H492 | 165.8° | 60.1° |
| H431 | C43 | C46 | C49 | 164.8° | 59.9° |
| H431 | C43 | C46 | H461 | 69.9° | 180.0° |
| H431 | C43 | C46 | H462 | 39.5° | 60.0° |
| H432 | C43 | C46 | C49 | 55.4° | 60.0° |
| H432 | C43 | C46 | H461 | 179.3° | 60.0° |
| H432 | C43 | C46 | H462 | 69.9° | 180.0° |
| C49 | C46 | H461 | H462 | 118.4° | 120.0° |
| C46 | C49 | N52 | H491 | 125.2° | 120.1° |
| C46 | C49 | N52 | H492 | 125.2° | 119.9° |
| C46 | C49 | H491 | H492 | 117.6° | 120.0° |
| C46 | C49 | N52 | C54 | 128.3° | 180.0° |
| C46 | C49 | N52 | HN2 | 106.4° | 0.1° |
| H461 | C46 | C49 | N52 | 165.8° | 60.0° |
| H461 | C46 | C49 | H491 | 68.9° | 180.0° |
| H461 | C46 | C49 | H492 | 40.5° | 60.0° |
| H462 | C46 | C49 | N52 | 56.4° | 60.1° |
| H462 | C46 | C49 | H491 | 178.3° | 60.0° |
| H462 | C46 | C49 | H492 | 68.9° | 180.0° |
| N52 | C49 | H491 | H492 | 117.7° | 120.0° |
| C49 | N52 | C54 | HN2 | 125.2° | 179.9° |
| C49 | N52 | C54 | N55 | 0.5° | 180.0° |
| C49 | N52 | C54 | N58 | 179.4° | 0.0° |
| H491 | C49 | N52 | C54 | 106.5° | 59.9° |
| H491 | C49 | N52 | HN2 | 18.8° | 120.0° |
| H492 | C49 | N52 | C54 | 3.0° | 60.1° |
| H492 | C49 | N52 | HN2 | 128.3° | 120.0° |
| N52 | C54 | N55 | N58 | 178.9° | 180.0° |
| N52 | C54 | N55 | HN51 | 179.9° | 179.9° |
| N52 | C54 | N55 | HN52 | 54.7° | 0.3° |
| N52 | C54 | N58 | HN8 | 105.0° | 0.0° |
| HN2 | N52 | C54 | N55 | 124.8° | 0.0° |
| HN2 | N52 | C54 | N58 | 54.1° | 180.0° |
| C54 | N55 | HN51 | HN52 | 125.3° | 179.8° |
| N55 | C54 | N58 | HN8 | 76.0° | 180.0° |
| N58 | C54 | N55 | HN51 | 1.2° | 0.0° |
| N58 | C54 | N55 | HN52 | 126.4° | 179.7° |
