86S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2A | C2A | sing | 1.37Å | 1.33Å | |
| C2A | N1A | sing | 1.36Å | 1.37Å | |
| C2A | N3A | doub | 1.31Å | 1.33Å | |
| N1A | C6A | sing | 1.35Å | 1.41Å | |
| N3A | C4A | sing | 1.34Å | 1.35Å | |
| C6A | O6A | doub | 1.22Å | 1.23Å | |
| C6A | C5A | sing | 1.41Å | 1.33Å | |
| C4A | C5A | doub | 1.40Å | 1.33Å | Aromatic |
| C4A | N9A | sing | 1.37Å | 1.36Å | Aromatic |
| C1D | N9A | sing | 1.46Å | 1.48Å | |
| C1D | O4D | sing | 1.44Å | 1.50Å | |
| C1D | C2D | sing | 1.54Å | 1.53Å | |
| C5A | N7A | sing | 1.36Å | 1.34Å | Aromatic |
| N9A | C8A | sing | 1.36Å | 1.34Å | Aromatic |
| O4D | C4D | sing | 1.44Å | 1.44Å | |
| N7A | C8A | doub | 1.30Å | 1.31Å | Aromatic |
| O2D | C2D | sing | 1.43Å | 1.43Å | |
| C2D | C3D | sing | 1.54Å | 1.51Å | |
| C4D | C3D | sing | 1.54Å | 1.56Å | |
| C4D | C5D | sing | 1.53Å | 1.54Å | |
| O5D | C5D | sing | 1.43Å | 1.43Å | |
| O5D | PA | sing | 1.61Å | 1.60Å | |
| C3D | O3D | sing | 1.43Å | 1.43Å | |
| N2B | C2B | sing | 1.37Å | 1.33Å | |
| C2B | N1B | sing | 1.36Å | 1.41Å | |
| C2B | N3B | doub | 1.31Å | 1.34Å | |
| N1B | C6B | sing | 1.35Å | 1.39Å | |
| N3B | C4B | sing | 1.34Å | 1.35Å | |
| C6B | O6B | doub | 1.22Å | 1.26Å | |
| C6B | C5B | sing | 1.41Å | 1.32Å | |
| C4B | C5B | doub | 1.40Å | 1.36Å | Aromatic |
| C4B | N9B | sing | 1.37Å | 1.32Å | Aromatic |
| C5B | N7B | sing | 1.36Å | 1.33Å | Aromatic |
| O1A | PA | doub | 1.48Å | 1.58Å | |
| C1E | N9B | sing | 1.47Å | 1.54Å | |
| C1E | O4E | sing | 1.44Å | 1.51Å | |
| C1E | C2E | sing | 1.55Å | 1.49Å | |
| N7B | C8B | doub | 1.30Å | 1.31Å | Aromatic |
| N9B | C8B | sing | 1.37Å | 1.34Å | Aromatic |
| O4E | C4E | sing | 1.44Å | 1.55Å | |
| PA | O3A | sing | 1.61Å | 1.68Å | |
| PA | O2A | sing | 1.61Å | 1.62Å | |
| O2E | C2E | sing | 1.43Å | 1.46Å | |
| O3A | PG | sing | 1.61Å | 1.66Å | |
| C2E | C3E | sing | 1.55Å | 1.49Å | |
| C4E | C3E | sing | 1.54Å | 1.54Å | |
| C4E | C5E | sing | 1.53Å | 1.57Å | |
| O1G | PG | doub | 1.48Å | 1.42Å | |
| PG | O2G | sing | 1.61Å | 1.52Å | |
| PG | O5E | sing | 1.61Å | 1.66Å | |
| C3E | O3E | sing | 1.43Å | 1.40Å | |
| O5E | C5E | sing | 1.43Å | 1.45Å | |
| O2A | H1 | sing | 0.97Å | 0.95Å | |
| N1A | H2 | sing | 0.97Å | 1.00Å | |
| N2A | H3 | sing | 0.97Å | 1.00Å | |
| N2A | H4 | sing | 0.97Å | 1.00Å | |
| C8A | H5 | sing | 1.08Å | 1.08Å | |
| C1D | H6 | sing | 1.09Å | 1.10Å | |
| C2D | H7 | sing | 1.09Å | 1.10Å | |
| O2D | H8 | sing | 0.97Å | 0.95Å | |
| C3D | H9 | sing | 1.09Å | 1.10Å | |
| O3D | H10 | sing | 0.97Å | 0.95Å | |
| C4D | H11 | sing | 1.09Å | 1.10Å | |
| C5D | H12 | sing | 1.09Å | 1.10Å | |
| C5D | H13 | sing | 1.09Å | 1.10Å | |
| O2G | H14 | sing | 0.97Å | 0.95Å | |
| C5E | H15 | sing | 1.09Å | 1.10Å | |
| C5E | H16 | sing | 1.09Å | 1.10Å | |
| C4E | H17 | sing | 1.09Å | 1.10Å | |
| C3E | H18 | sing | 1.09Å | 1.10Å | |
| O3E | H19 | sing | 0.97Å | 0.95Å | |
| C2E | H20 | sing | 1.09Å | 1.10Å | |
| O2E | H21 | sing | 0.97Å | 0.95Å | |
| C1E | H22 | sing | 1.09Å | 1.10Å | |
| N2B | H23 | sing | 0.97Å | 1.00Å | |
| N2B | H24 | sing | 0.97Å | 1.00Å | |
| N1B | H25 | sing | 0.97Å | 1.00Å | |
| C8B | H26 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2A | C2A | N1A | 117.8° | 119.0° |
| N2A | C2A | N3A | 120.3° | 119.1° |
| C2A | N2A | H3 | 120.0° | 120.0° |
| C2A | N2A | H4 | 120.0° | 120.0° |
| N1A | C2A | N3A | 121.9° | 121.9° |
| C2A | N1A | C6A | 116.7° | 120.3° |
| C2A | N1A | H2 | 121.7° | 119.9° |
| C2A | N3A | C4A | 119.7° | 121.2° |
| N1A | C6A | O6A | 114.5° | 120.8° |
| N1A | C6A | C5A | 119.4° | 118.4° |
| C6A | N1A | H2 | 121.6° | 119.8° |
| N3A | C4A | C5A | 120.3° | 119.7° |
| N3A | C4A | N9A | 131.2° | 134.2° |
| O6A | C6A | C5A | 126.0° | 120.8° |
| C6A | C5A | C4A | 121.9° | 118.6° |
| C6A | C5A | N7A | 130.7° | 134.1° |
| C5A | C4A | N9A | 108.5° | 106.1° |
| C4A | C5A | N7A | 107.3° | 107.3° |
| C4A | N9A | C1D | 125.5° | 126.3° |
| C4A | N9A | C8A | 106.4° | 107.5° |
| N9A | C1D | O4D | 109.7° | 110.4° |
| N9A | C1D | C2D | 116.8° | 110.4° |
| C1D | N9A | C8A | 128.1° | 126.2° |
| N9A | C1D | H6 | 107.9° | 110.4° |
| O4D | C1D | C2D | 107.4° | 104.8° |
| C1D | O4D | C4D | 107.9° | 105.3° |
| O4D | C1D | H6 | 107.5° | 110.4° |
| C1D | C2D | O2D | 111.4° | 110.5° |
| C1D | C2D | C3D | 100.3° | 104.1° |
| C2D | C1D | H6 | 107.2° | 110.4° |
| C1D | C2D | H7 | 112.0° | 110.5° |
| C5A | N7A | C8A | 109.0° | 109.3° |
| N9A | C8A | N7A | 108.7° | 109.8° |
| N9A | C8A | H5 | 125.6° | 125.1° |
| O4D | C4D | C3D | 104.4° | 104.8° |
| O4D | C4D | C5D | 109.1° | 110.4° |
| O4D | C4D | H11 | 111.3° | 110.4° |
| N7A | C8A | H5 | 125.7° | 125.0° |
| O2D | C2D | C3D | 106.5° | 110.5° |
| O2D | C2D | H7 | 113.5° | 110.5° |
| C2D | O2D | H8 | 109.5° | 114.0° |
| C2D | C3D | C4D | 103.4° | 104.1° |
| C2D | C3D | O3D | 110.8° | 110.5° |
| C3D | C2D | H7 | 112.3° | 110.5° |
| C2D | C3D | H9 | 110.3° | 110.6° |
| C3D | C4D | C5D | 112.4° | 110.4° |
| C4D | C3D | O3D | 110.9° | 110.5° |
| C4D | C3D | H9 | 109.7° | 110.6° |
| C3D | C4D | H11 | 109.7° | 110.4° |
| C4D | C5D | O5D | 109.2° | 109.5° |
| C5D | C4D | H11 | 109.9° | 110.4° |
| C4D | C5D | H12 | 109.5° | 109.5° |
| C4D | C5D | H13 | 109.6° | 109.5° |
| C5D | O5D | PA | 124.0° | 123.0° |
| O5D | C5D | H12 | 109.5° | 109.4° |
| O5D | C5D | H13 | 109.5° | 109.5° |
| O5D | PA | O1A | 107.2° | 109.5° |
| O5D | PA | O3A | 111.9° | 109.5° |
| O5D | PA | O2A | 109.1° | 109.5° |
| O3D | C3D | H9 | 111.4° | 110.4° |
| C3D | O3D | H10 | 109.5° | 114.0° |
| N2B | C2B | N1B | 118.4° | 119.0° |
| N2B | C2B | N3B | 120.6° | 119.1° |
| C2B | N2B | H23 | 120.0° | 120.0° |
| C2B | N2B | H24 | 120.0° | 120.0° |
| N1B | C2B | N3B | 121.0° | 122.0° |
| C2B | N1B | C6B | 120.6° | 120.3° |
| C2B | N1B | H25 | 119.7° | 119.9° |
| C2B | N3B | C4B | 116.1° | 121.1° |
| N1B | C6B | O6B | 121.0° | 120.8° |
| N1B | C6B | C5B | 116.7° | 118.4° |
| C6B | N1B | H25 | 119.7° | 119.8° |
| N3B | C4B | C5B | 123.8° | 119.7° |
| N3B | C4B | N9B | 128.7° | 134.2° |
| O6B | C6B | C5B | 122.2° | 120.9° |
| C6B | C5B | C4B | 121.7° | 118.6° |
| C6B | C5B | N7B | 130.4° | 134.1° |
| C5B | C4B | N9B | 107.5° | 106.1° |
| C4B | C5B | N7B | 107.9° | 107.3° |
| C4B | N9B | C1E | 124.5° | 126.3° |
| C4B | N9B | C8B | 107.2° | 107.5° |
| C5B | N7B | C8B | 107.5° | 109.3° |
| O1A | PA | O3A | 110.8° | 109.4° |
| O1A | PA | O2A | 109.3° | 109.4° |
| N9B | C1E | O4E | 114.8° | 110.4° |
| N9B | C1E | C2E | 116.5° | 110.4° |
| C1E | N9B | C8B | 127.7° | 126.2° |
| N9B | C1E | H22 | 106.0° | 110.3° |
| O4E | C1E | C2E | 106.2° | 104.8° |
| C1E | O4E | C4E | 105.5° | 105.2° |
| O4E | C1E | H22 | 106.2° | 110.4° |
| C1E | C2E | O2E | 107.3° | 110.6° |
| C1E | C2E | C3E | 99.6° | 104.0° |
| C1E | C2E | H20 | 112.1° | 110.5° |
| C2E | C1E | H22 | 106.4° | 110.4° |
| N7B | C8B | N9B | 109.8° | 109.8° |
| N7B | C8B | H26 | 125.1° | 125.1° |
| N9B | C8B | H26 | 125.1° | 125.1° |
| O4E | C4E | C3E | 100.9° | 104.8° |
| O4E | C4E | C5E | 129.9° | 110.3° |
| O4E | C4E | H17 | 105.4° | 110.5° |
| O3A | PA | O2A | 108.6° | 109.5° |
| PA | O3A | PG | 117.1° | 134.0° |
| PA | O2A | H1 | 109.5° | 114.0° |
| O2E | C2E | C3E | 112.4° | 110.6° |
| O2E | C2E | H20 | 112.6° | 110.5° |
| C2E | O2E | H21 | 109.5° | 113.9° |
| O3A | PG | O1G | 110.3° | 109.5° |
| O3A | PG | O2G | 115.1° | 109.5° |
| O3A | PG | O5E | 71.7° | 109.5° |
| C2E | C3E | C4E | 103.4° | 104.1° |
| C2E | C3E | O3E | 107.9° | 110.5° |
| C2E | C3E | H18 | 111.7° | 110.6° |
| C3E | C2E | H20 | 112.1° | 110.5° |
| C3E | C4E | C5E | 107.8° | 110.4° |
| C4E | C3E | O3E | 109.2° | 110.5° |
| C3E | C4E | H17 | 105.5° | 110.4° |
| C4E | C3E | H18 | 110.9° | 110.6° |
| C4E | C5E | O5E | 118.6° | 109.5° |
| C4E | C5E | H15 | 107.2° | 109.5° |
| C4E | C5E | H16 | 107.2° | 109.5° |
| C5E | C4E | H17 | 105.2° | 110.3° |
| O1G | PG | O2G | 124.3° | 109.5° |
| O1G | PG | O5E | 111.2° | 109.4° |
| O2G | PG | O5E | 112.5° | 109.5° |
| PG | O2G | H14 | 109.5° | 114.0° |
| PG | O5E | C5E | 123.9° | 123.0° |
| O3E | C3E | H18 | 113.2° | 110.4° |
| C3E | O3E | H19 | 109.5° | 114.0° |
| O5E | C5E | H15 | 107.1° | 109.5° |
| O5E | C5E | H16 | 107.1° | 109.5° |
| H3 | N2A | H4 | 120.0° | 120.0° |
| H12 | C5D | H13 | 109.4° | 109.5° |
| H15 | C5E | H16 | 109.5° | 109.4° |
| H23 | N2B | H24 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2A | C2A | N1A | N3A | 175.8° | 180.0° |
| N2A | C2A | N1A | C6A | 179.9° | 180.0° |
| N2A | C2A | N3A | C4A | 179.3° | 180.0° |
| N2A | C2A | N1A | H2 | 0.2° | 0.1° |
| C2A | N2A | H3 | H4 | 180.0° | 180.0° |
| C2A | N1A | C6A | H2 | 180.0° | 180.0° |
| N1A | C2A | N3A | C4A | 3.6° | 0.0° |
| C2A | N1A | C6A | O6A | 178.8° | 180.0° |
| C2A | N1A | C6A | C5A | 2.2° | 0.3° |
| N1A | C2A | N2A | H3 | 175.9° | 0.0° |
| N1A | C2A | N2A | H4 | 4.1° | 180.0° |
| N3A | C2A | N1A | C6A | 4.4° | 0.0° |
| C2A | N3A | C4A | C5A | 0.5° | 0.3° |
| C2A | N3A | C4A | N9A | 177.6° | 180.0° |
| N3A | C2A | N1A | H2 | 175.6° | 180.0° |
| N3A | C2A | N2A | H3 | 0.0° | 180.0° |
| N3A | C2A | N2A | H4 | 180.0° | 0.1° |
| N1A | C6A | O6A | C5A | 179.0° | 179.7° |
| N1A | C6A | C5A | C4A | 0.8° | 0.6° |
| N1A | C6A | C5A | N7A | 177.6° | 179.8° |
| N3A | C4A | C5A | C6A | 1.7° | 0.6° |
| N3A | C4A | C5A | N9A | 178.4° | 179.8° |
| N3A | C4A | N9A | C1D | 0.3° | 0.0° |
| N3A | C4A | C5A | N7A | 179.2° | 179.6° |
| N3A | C4A | N9A | C8A | 178.6° | 179.2° |
| O6A | C6A | C5A | C4A | 178.1° | 179.7° |
| O6A | C6A | C5A | N7A | 1.3° | 0.0° |
| O6A | C6A | N1A | H2 | 1.2° | 0.0° |
| C6A | C5A | C4A | N7A | 177.5° | 179.8° |
| C6A | C5A | C4A | N9A | 179.8° | 179.6° |
| C6A | C5A | N7A | C8A | 179.4° | 180.0° |
| C5A | C6A | N1A | H2 | 177.8° | 179.8° |
| C5A | C4A | N9A | C1D | 178.5° | 179.7° |
| C5A | C4A | N9A | C8A | 0.4° | 0.5° |
| C4A | C5A | N7A | C8A | 3.5° | 0.3° |
| C4A | N9A | C1D | C8A | 178.6° | 179.1° |
| C4A | N9A | C1D | O4D | 173.7° | 156.5° |
| C4A | N9A | C1D | C2D | 63.9° | 88.2° |
| N9A | C4A | C5A | N7A | 2.4° | 0.1° |
| C4A | N9A | C8A | N7A | 1.8° | 0.7° |
| C4A | N9A | C8A | H5 | 178.2° | 180.0° |
| C4A | N9A | C1D | H6 | 56.9° | 34.2° |
| N9A | C1D | O4D | C2D | 127.9° | 118.9° |
| N9A | C1D | O4D | H6 | 117.1° | 122.3° |
| N9A | C1D | C2D | H6 | 121.1° | 122.3° |
| N9A | C1D | O4D | C4D | 120.2° | 159.3° |
| C1D | N9A | C8A | N7A | 179.4° | 179.9° |
| N9A | C1D | C2D | O2D | 153.9° | 98.5° |
| N9A | C1D | C2D | C3D | 93.7° | 142.8° |
| C1D | N9A | C8A | H5 | 0.6° | 0.7° |
| N9A | C1D | C2D | H7 | 25.6° | 24.1° |
| O4D | C1D | C2D | H6 | 115.3° | 118.8° |
| O4D | C1D | N9A | C8A | 4.9° | 24.4° |
| O4D | C1D | C2D | O2D | 82.5° | 142.6° |
| O4D | C1D | C2D | C3D | 29.9° | 23.9° |
| C1D | O4D | C4D | C3D | 17.6° | 40.5° |
| C1D | O4D | C4D | C5D | 137.9° | 159.3° |
| O4D | C1D | C2D | H7 | 149.2° | 94.7° |
| C1D | O4D | C4D | H11 | 100.6° | 78.4° |
| C2D | C1D | N9A | C8A | 117.5° | 90.9° |
| C2D | C1D | O4D | C4D | 7.6° | 40.5° |
| C1D | C2D | O2D | C3D | 108.5° | 114.7° |
| C1D | C2D | O2D | H7 | 127.5° | 122.6° |
| C1D | C2D | C3D | H7 | 119.1° | 118.6° |
| C1D | C2D | C3D | C4D | 39.8° | 0.0° |
| C1D | C2D | C3D | O3D | 158.7° | 118.6° |
| C1D | C2D | O2D | H8 | 180.0° | 180.0° |
| C1D | C2D | C3D | H9 | 77.4° | 118.8° |
| C5A | N7A | C8A | N9A | 3.3° | 0.6° |
| C5A | N7A | C8A | H5 | 176.7° | 180.0° |
| N9A | C8A | N7A | H5 | 180.0° | 179.4° |
| C8A | N9A | C1D | H6 | 121.7° | 146.7° |
| O4D | C4D | C3D | C2D | 36.8° | 24.0° |
| O4D | C4D | C3D | C5D | 118.1° | 118.8° |
| O4D | C4D | C3D | H11 | 119.3° | 118.9° |
| O4D | C4D | C5D | H11 | 122.3° | 122.3° |
| O4D | C4D | C5D | O5D | 36.3° | 66.4° |
| O4D | C4D | C3D | O3D | 155.6° | 142.6° |
| C4D | O4D | C1D | H6 | 122.7° | 78.4° |
| O4D | C4D | C3D | H9 | 80.8° | 94.8° |
| O4D | C4D | C5D | H12 | 83.7° | 173.6° |
| O4D | C4D | C5D | H13 | 156.3° | 53.6° |
| O2D | C2D | C3D | H7 | 124.8° | 122.7° |
| O2D | C2D | C3D | C4D | 76.4° | 118.7° |
| O2D | C2D | C3D | O3D | 42.5° | 0.1° |
| O2D | C2D | C1D | H6 | 32.8° | 23.8° |
| O2D | C2D | C3D | H9 | 166.4° | 122.5° |
| C2D | C3D | C4D | O3D | 118.8° | 118.6° |
| C2D | C3D | C4D | H9 | 117.6° | 118.8° |
| C2D | C3D | C4D | C5D | 154.9° | 142.8° |
| C2D | C3D | O3D | H9 | 123.2° | 122.7° |
| C3D | C2D | C1D | H6 | 145.2° | 94.9° |
| C3D | C2D | O2D | H8 | 71.5° | 65.3° |
| C2D | C3D | O3D | H10 | 180.0° | 61.5° |
| C2D | C3D | C4D | H11 | 82.5° | 94.8° |
| C3D | C4D | C5D | H11 | 122.4° | 122.3° |
| C3D | C4D | C5D | O5D | 79.0° | 178.2° |
| C4D | C3D | O3D | H9 | 122.5° | 122.7° |
| C4D | C3D | C2D | H7 | 158.8° | 118.7° |
| C4D | C3D | O3D | H10 | 65.8° | 176.1° |
| C3D | C4D | C5D | H12 | 161.0° | 58.2° |
| C3D | C4D | C5D | H13 | 41.0° | 61.8° |
| C4D | C5D | O5D | H12 | 120.0° | 120.0° |
| C4D | C5D | O5D | H13 | 120.0° | 120.0° |
| C4D | C5D | O5D | PA | 117.5° | 180.0° |
| C5D | C4D | C3D | O3D | 86.3° | 98.6° |
| C5D | C4D | C3D | H9 | 37.3° | 24.1° |
| C4D | C5D | H12 | H13 | 120.1° | 120.0° |
| C5D | O5D | PA | O1A | 153.0° | 55.0° |
| C5D | O5D | PA | O3A | 85.4° | 175.0° |
| C5D | O5D | PA | O2A | 34.8° | 64.9° |
| O5D | C5D | C4D | H11 | 158.5° | 55.8° |
| O5D | C5D | H12 | H13 | 120.1° | 120.0° |
| O5D | PA | O1A | O3A | 122.3° | 120.0° |
| O5D | PA | O1A | O2A | 118.1° | 120.0° |
| O5D | PA | O3A | O2A | 120.5° | 120.1° |
| O5D | PA | O3A | PG | 173.8° | 165.0° |
| O5D | PA | O2A | H1 | 116.9° | 60.1° |
| PA | O5D | C5D | H12 | 122.6° | 60.0° |
| PA | O5D | C5D | H13 | 2.5° | 59.9° |
| O3D | C3D | C2D | H7 | 82.3° | 122.7° |
| O3D | C3D | C4D | H11 | 36.3° | 23.8° |
| N2B | C2B | N1B | N3B | 178.4° | 180.0° |
| N2B | C2B | N1B | C6B | 179.8° | 180.0° |
| N2B | C2B | N3B | C4B | 177.6° | 179.9° |
| C2B | N2B | H23 | H24 | 179.9° | 179.9° |
| N2B | C2B | N1B | H25 | 0.2° | 0.0° |
| C2B | N1B | C6B | H25 | 180.0° | 180.0° |
| N1B | C2B | N3B | C4B | 0.8° | 0.0° |
| C2B | N1B | C6B | O6B | 179.7° | 180.0° |
| C2B | N1B | C6B | C5B | 2.5° | 0.0° |
| N1B | C2B | N2B | H23 | 178.4° | 0.1° |
| N1B | C2B | N2B | H24 | 1.6° | 180.0° |
| N3B | C2B | N1B | C6B | 1.4° | 0.0° |
| C2B | N3B | C4B | C5B | 1.9° | 0.0° |
| C2B | N3B | C4B | N9B | 178.5° | 180.0° |
| N3B | C2B | N2B | H23 | 0.0° | 180.0° |
| N3B | C2B | N2B | H24 | 180.0° | 0.1° |
| N3B | C2B | N1B | H25 | 178.6° | 180.0° |
| N1B | C6B | O6B | C5B | 177.6° | 179.9° |
| N1B | C6B | C5B | C4B | 1.5° | 0.0° |
| N1B | C6B | C5B | N7B | 179.9° | 180.0° |
| N3B | C4B | C5B | C6B | 0.8° | 0.0° |
| N3B | C4B | C5B | N9B | 179.7° | 179.9° |
| N3B | C4B | C5B | N7B | 178.1° | 180.0° |
| N3B | C4B | N9B | C1E | 4.9° | 0.1° |
| N3B | C4B | N9B | C8B | 176.4° | 179.8° |
| O6B | C6B | C5B | C4B | 179.2° | 180.0° |
| O6B | C6B | C5B | N7B | 2.2° | 0.0° |
| O6B | C6B | N1B | H25 | 0.3° | 0.0° |
| C6B | C5B | C4B | N7B | 178.9° | 180.0° |
| C6B | C5B | C4B | N9B | 179.5° | 180.0° |
| C6B | C5B | N7B | C8B | 178.0° | 179.8° |
| C5B | C6B | N1B | H25 | 177.5° | 180.0° |
| C5B | C4B | N9B | C1E | 174.8° | 180.0° |
| C4B | C5B | N7B | C8B | 0.8° | 0.2° |
| C5B | C4B | N9B | C8B | 3.3° | 0.3° |
| N9B | C4B | C5B | N7B | 1.6° | 0.1° |
| C4B | N9B | C1E | C8B | 169.7° | 179.6° |
| C4B | N9B | C1E | O4E | 171.3° | 156.1° |
| C4B | N9B | C1E | C2E | 63.7° | 88.5° |
| C4B | N9B | C8B | N7B | 3.9° | 0.4° |
| C4B | N9B | C1E | H22 | 54.4° | 33.8° |
| C4B | N9B | C8B | H26 | 176.1° | 179.8° |
| C5B | N7B | C8B | N9B | 2.9° | 0.4° |
| C5B | N7B | C8B | H26 | 177.1° | 179.8° |
| O1A | PA | O3A | O2A | 120.0° | 119.9° |
| O1A | PA | O3A | PG | 54.2° | 45.0° |
| O1A | PA | O2A | H1 | 0.0° | 180.0° |
| N9B | C1E | O4E | C2E | 130.2° | 118.8° |
| N9B | C1E | O4E | H22 | 116.7° | 122.2° |
| N9B | C1E | C2E | H22 | 117.8° | 122.2° |
| C1E | N9B | C8B | N7B | 175.0° | 179.9° |
| N9B | C1E | O4E | C4E | 114.2° | 159.4° |
| N9B | C1E | C2E | O2E | 153.8° | 98.4° |
| N9B | C1E | C2E | C3E | 89.0° | 142.8° |
| N9B | C1E | C2E | H20 | 29.8° | 24.2° |
| C1E | N9B | C8B | H26 | 5.0° | 0.1° |
| O4E | C1E | C2E | H22 | 112.9° | 118.9° |
| O4E | C1E | N9B | C8B | 1.6° | 23.5° |
| O4E | C1E | C2E | O2E | 76.9° | 142.7° |
| O4E | C1E | C2E | C3E | 40.3° | 24.0° |
| C1E | O4E | C4E | C3E | 14.0° | 40.6° |
| C1E | O4E | C4E | C5E | 138.5° | 159.4° |
| C1E | O4E | C4E | H17 | 95.6° | 78.4° |
| O4E | C1E | C2E | H20 | 159.1° | 94.7° |
| C2E | C1E | N9B | C8B | 126.6° | 91.9° |
| C2E | C1E | O4E | C4E | 16.0° | 40.5° |
| C1E | C2E | O2E | C3E | 108.4° | 114.7° |
| C1E | C2E | O2E | H20 | 123.8° | 122.6° |
| C1E | C2E | C3E | H20 | 118.7° | 118.6° |
| C1E | C2E | C3E | C4E | 49.6° | 0.0° |
| C1E | C2E | C3E | O3E | 165.2° | 118.7° |
| C1E | C2E | C3E | H18 | 69.7° | 118.8° |
| C1E | C2E | O2E | H21 | 180.0° | 176.2° |
| N7B | C8B | N9B | H26 | 180.0° | 179.8° |
| C8B | N9B | C1E | H22 | 115.3° | 145.8° |
| O4E | C4E | C3E | C2E | 39.5° | 24.0° |
| O4E | C4E | C3E | C5E | 138.4° | 118.8° |
| O4E | C4E | C3E | H17 | 109.5° | 119.0° |
| O4E | C4E | C5E | H17 | 125.9° | 122.3° |
| O4E | C4E | C3E | O3E | 154.3° | 142.7° |
| O4E | C4E | C5E | O5E | 5.5° | 69.6° |
| O4E | C4E | C5E | H15 | 126.8° | 50.4° |
| O4E | C4E | C5E | H16 | 115.8° | 170.3° |
| O4E | C4E | C3E | H18 | 80.3° | 94.8° |
| C4E | O4E | C1E | H22 | 129.0° | 78.4° |
| PA | O3A | PG | O1G | 150.5° | 40.1° |
| PA | O3A | PG | O2G | 3.7° | 80.0° |
| PA | O3A | PG | O5E | 103.1° | 160.0° |
| O3A | PA | O2A | H1 | 120.9° | 60.0° |
| O2A | PA | O3A | PG | 65.8° | 74.9° |
| O2E | C2E | C3E | H20 | 128.0° | 122.6° |
| O2E | C2E | C3E | C4E | 63.7° | 118.7° |
| O2E | C2E | C3E | O3E | 52.0° | 0.1° |
| O2E | C2E | C3E | H18 | 177.0° | 122.5° |
| O2E | C2E | C1E | H22 | 36.0° | 23.8° |
| O3A | PG | O1G | O2G | 143.0° | 120.0° |
| O3A | PG | O1G | O5E | 77.5° | 120.0° |
| O3A | PG | O2G | O5E | 79.5° | 120.0° |
| O3A | PG | O5E | C5E | 103.5° | 175.0° |
| O3A | PG | O2G | H14 | 141.4° | 60.0° |
| C2E | C3E | C4E | O3E | 114.7° | 118.6° |
| C2E | C3E | C4E | H18 | 119.9° | 118.8° |
| C2E | C3E | C4E | C5E | 178.0° | 142.8° |
| C2E | C3E | O3E | H18 | 124.2° | 122.7° |
| C2E | C3E | C4E | H17 | 70.0° | 94.9° |
| C2E | C3E | O3E | H19 | 180.0° | 65.3° |
| C3E | C2E | O2E | H21 | 71.6° | 61.5° |
| C3E | C2E | C1E | H22 | 153.2° | 94.9° |
| C3E | C4E | C5E | H17 | 112.2° | 122.3° |
| C4E | C3E | O3E | H18 | 124.1° | 122.7° |
| C3E | C4E | C5E | O5E | 127.4° | 175.0° |
| C3E | C4E | C5E | H15 | 111.3° | 65.0° |
| C3E | C4E | C5E | H16 | 6.1° | 55.0° |
| C4E | C3E | O3E | H19 | 68.2° | 180.0° |
| C4E | C3E | C2E | H20 | 168.3° | 118.6° |
| C4E | C5E | O5E | PG | 47.2° | 180.0° |
| C5E | C4E | C3E | O3E | 67.3° | 98.6° |
| C4E | C5E | O5E | H15 | 121.3° | 120.0° |
| C4E | C5E | O5E | H16 | 121.3° | 120.0° |
| C4E | C5E | H15 | H16 | 115.9° | 120.0° |
| C5E | C4E | C3E | H18 | 58.1° | 24.0° |
| O1G | PG | O2G | O5E | 139.0° | 120.0° |
| O1G | PG | O5E | C5E | 1.7° | 55.0° |
| O1G | PG | O2G | H14 | 0.0° | 180.0° |
| O2G | PG | O5E | C5E | 146.2° | 64.9° |
| O5E | PG | O2G | H14 | 139.1° | 60.0° |
| PG | O5E | C5E | H15 | 168.5° | 60.0° |
| PG | O5E | C5E | H16 | 74.1° | 59.9° |
| O3E | C3E | C4E | H17 | 44.8° | 23.7° |
| O3E | C3E | C2E | H20 | 76.0° | 122.7° |
| O5E | C5E | H15 | H16 | 115.9° | 120.0° |
| O5E | C5E | C4E | H17 | 120.4° | 52.7° |
| H6 | C1D | C2D | H7 | 95.5° | 146.5° |
| H7 | C2D | O2D | H8 | 52.5° | 57.4° |
| H7 | C2D | C3D | H9 | 41.6° | 0.1° |
| H9 | C3D | O3D | H10 | 56.7° | 61.2° |
| H9 | C3D | C4D | H11 | 159.9° | 146.4° |
| H11 | C4D | C5D | H12 | 38.6° | 64.2° |
| H11 | C4D | C5D | H13 | 81.5° | 175.9° |
| H15 | C5E | C4E | H17 | 0.9° | 172.7° |
| H16 | C5E | C4E | H17 | 118.3° | 67.3° |
| H17 | C4E | C3E | H18 | 170.1° | 146.2° |
| H18 | C3E | O3E | H19 | 55.9° | 57.3° |
| H18 | C3E | C2E | H20 | 49.0° | 0.2° |
| H20 | C2E | O2E | H21 | 56.2° | 61.2° |
| H20 | C2E | C1E | H22 | 88.0° | 146.4° |
