86P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2G | PG | doub | 1.48Å | 1.48Å | |
| O3C | PG | sing | 1.61Å | 1.62Å | |
| O3C | PC | sing | 1.61Å | 1.62Å | |
| PG | O1G | sing | 1.61Å | 1.49Å | |
| PG | O5E | sing | 1.61Å | 1.61Å | |
| O1C | PC | doub | 1.48Å | 1.63Å | |
| O2B | PB | doub | 1.48Å | 1.46Å | |
| O3B | PC | sing | 1.61Å | 1.66Å | |
| O3B | PB | sing | 1.61Å | 1.65Å | |
| PC | O2C | sing | 1.61Å | 1.49Å | |
| O3E | C3E | sing | 1.43Å | 1.46Å | |
| PB | O1B | sing | 1.61Å | 1.48Å | |
| PB | O3A | sing | 1.61Å | 1.60Å | |
| O5E | C5E | sing | 1.43Å | 1.44Å | |
| C3E | C4E | sing | 1.54Å | 1.53Å | |
| C3E | C2E | sing | 1.55Å | 1.52Å | |
| C5E | C4E | sing | 1.53Å | 1.52Å | |
| O2A | PA | doub | 1.48Å | 1.48Å | |
| C4E | O4E | sing | 1.44Å | 1.44Å | |
| C2E | O2E | sing | 1.43Å | 1.45Å | |
| C2E | C1E | sing | 1.55Å | 1.52Å | |
| O3A | PA | sing | 1.61Å | 1.61Å | |
| PA | O5D | sing | 1.61Å | 1.64Å | |
| PA | O1A | sing | 1.61Å | 1.48Å | |
| C8B | N7B | doub | 1.30Å | 1.35Å | Aromatic |
| C8B | N9B | sing | 1.37Å | 1.34Å | Aromatic |
| C5D | O5D | sing | 1.43Å | 1.42Å | |
| C5D | C4D | sing | 1.53Å | 1.54Å | |
| O4E | C1E | sing | 1.44Å | 1.43Å | |
| N7B | C5B | sing | 1.36Å | 1.34Å | Aromatic |
| C1E | N9B | sing | 1.47Å | 1.51Å | |
| N9B | C4B | sing | 1.37Å | 1.32Å | Aromatic |
| O3D | C3D | sing | 1.43Å | 1.46Å | |
| C5B | C4B | doub | 1.40Å | 1.35Å | Aromatic |
| C5B | C6B | sing | 1.41Å | 1.34Å | |
| C4B | N3B | sing | 1.34Å | 1.34Å | |
| C3D | C4D | sing | 1.54Å | 1.53Å | |
| C3D | C2D | sing | 1.55Å | 1.52Å | |
| O6B | C6B | doub | 1.22Å | 1.23Å | |
| C6B | N1B | sing | 1.35Å | 1.39Å | |
| N3B | C2B | doub | 1.31Å | 1.34Å | |
| C4D | O4D | sing | 1.44Å | 1.43Å | |
| N1B | C2B | sing | 1.36Å | 1.39Å | |
| C2B | N2B | sing | 1.37Å | 1.32Å | |
| C2D | O2D | sing | 1.43Å | 1.44Å | |
| C2D | C1D | sing | 1.55Å | 1.54Å | |
| O4D | C1D | sing | 1.44Å | 1.45Å | |
| C8A | N9A | sing | 1.36Å | 1.34Å | Aromatic |
| C8A | N7A | doub | 1.30Å | 1.33Å | Aromatic |
| C1D | N9A | sing | 1.47Å | 1.51Å | |
| N9A | C4A | sing | 1.37Å | 1.34Å | Aromatic |
| N7A | C5A | sing | 1.36Å | 1.34Å | Aromatic |
| C4A | C5A | doub | 1.40Å | 1.34Å | Aromatic |
| C4A | N3A | sing | 1.34Å | 1.34Å | |
| C5A | C6A | sing | 1.41Å | 1.33Å | |
| N3A | C2A | doub | 1.31Å | 1.34Å | |
| C6A | O6A | doub | 1.22Å | 1.23Å | |
| C6A | N1A | sing | 1.35Å | 1.39Å | |
| C2A | N1A | sing | 1.36Å | 1.39Å | |
| C2A | N2A | sing | 1.37Å | 1.33Å | |
| N2A | H1 | sing | 0.97Å | 1.00Å | |
| N2A | H2 | sing | 0.97Å | 1.00Å | |
| O1A | H3 | sing | 0.97Å | 0.95Å | |
| C1D | H4 | sing | 1.09Å | 1.10Å | |
| C1E | H5 | sing | 1.09Å | 1.10Å | |
| N1A | H6 | sing | 0.97Å | 1.00Å | |
| N1B | H7 | sing | 0.97Å | 1.00Å | |
| O1B | H8 | sing | 0.97Å | 0.95Å | |
| O1G | H9 | sing | 0.97Å | 0.95Å | |
| C2D | H10 | sing | 1.09Å | 1.10Å | |
| C2E | H11 | sing | 1.09Å | 1.10Å | |
| N2B | H12 | sing | 0.97Å | 1.00Å | |
| N2B | H13 | sing | 0.97Å | 1.00Å | |
| O2C | H14 | sing | 0.97Å | 0.95Å | |
| O2D | H15 | sing | 0.97Å | 0.95Å | |
| O2E | H16 | sing | 0.97Å | 0.95Å | |
| C3D | H17 | sing | 1.09Å | 1.10Å | |
| C3E | H18 | sing | 1.09Å | 1.10Å | |
| O3D | H19 | sing | 0.97Å | 0.95Å | |
| O3E | H20 | sing | 0.97Å | 0.95Å | |
| C4D | H21 | sing | 1.09Å | 1.10Å | |
| C4E | H22 | sing | 1.09Å | 1.10Å | |
| C5D | H23 | sing | 1.09Å | 1.10Å | |
| C5D | H24 | sing | 1.09Å | 1.10Å | |
| C5E | H25 | sing | 1.09Å | 1.10Å | |
| C5E | H26 | sing | 1.09Å | 1.10Å | |
| C8A | H27 | sing | 1.08Å | 1.08Å | |
| C8B | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2G | PG | O3C | 109.6° | 109.5° |
| O2G | PG | O1G | 119.4° | 109.5° |
| O2G | PG | O5E | 107.7° | 109.5° |
| PG | O3C | PC | 117.6° | 134.0° |
| O3C | PG | O1G | 108.1° | 109.5° |
| O3C | PG | O5E | 100.5° | 109.4° |
| O3C | PC | O1C | 105.0° | 109.5° |
| O3C | PC | O3B | 107.6° | 109.5° |
| O3C | PC | O2C | 110.5° | 109.5° |
| O1G | PG | O5E | 109.9° | 109.4° |
| PG | O1G | H9 | 109.5° | 114.0° |
| PG | O5E | C5E | 122.1° | 123.0° |
| O1C | PC | O3B | 109.0° | 109.4° |
| O1C | PC | O2C | 111.6° | 109.5° |
| O2B | PB | O3B | 107.4° | 109.5° |
| O2B | PB | O1B | 118.5° | 109.5° |
| O2B | PB | O3A | 107.2° | 109.5° |
| PC | O3B | PB | 125.1° | 134.0° |
| O3B | PC | O2C | 112.9° | 109.4° |
| O3B | PB | O1B | 112.6° | 109.4° |
| O3B | PB | O3A | 104.8° | 109.5° |
| PC | O2C | H14 | 109.5° | 114.0° |
| O3E | C3E | C4E | 110.1° | 110.5° |
| O3E | C3E | C2E | 109.6° | 110.6° |
| O3E | C3E | H18 | 111.4° | 110.5° |
| C3E | O3E | H20 | 109.5° | 113.9° |
| O1B | PB | O3A | 105.3° | 109.5° |
| PB | O1B | H8 | 109.5° | 114.0° |
| PB | O3A | PA | 122.5° | 134.0° |
| O5E | C5E | C4E | 104.8° | 109.5° |
| O5E | C5E | H25 | 110.6° | 109.5° |
| O5E | C5E | H26 | 110.6° | 109.5° |
| C4E | C3E | C2E | 104.7° | 104.2° |
| C3E | C4E | C5E | 114.2° | 109.9° |
| C3E | C4E | O4E | 107.7° | 107.4° |
| C4E | C3E | H18 | 110.4° | 110.5° |
| C3E | C4E | H22 | 110.7° | 109.9° |
| C3E | C2E | O2E | 109.4° | 110.9° |
| C3E | C2E | C1E | 106.6° | 102.1° |
| C3E | C2E | H11 | 110.4° | 111.0° |
| C2E | C3E | H18 | 110.5° | 110.4° |
| C5E | C4E | O4E | 100.9° | 110.0° |
| C5E | C4E | H22 | 110.9° | 110.0° |
| C4E | C5E | H25 | 110.6° | 109.5° |
| C4E | C5E | H26 | 110.6° | 109.5° |
| O2A | PA | O3A | 108.8° | 109.5° |
| O2A | PA | O5D | 107.9° | 109.5° |
| O2A | PA | O1A | 119.9° | 109.5° |
| C4E | O4E | C1E | 111.5° | 106.9° |
| O4E | C4E | H22 | 112.1° | 109.7° |
| O2E | C2E | C1E | 108.4° | 110.9° |
| O2E | C2E | H11 | 111.5° | 110.8° |
| C2E | O2E | H16 | 109.5° | 114.0° |
| C2E | C1E | O4E | 107.0° | 103.7° |
| C2E | C1E | N9B | 116.2° | 110.6° |
| C2E | C1E | H5 | 107.6° | 110.6° |
| C1E | C2E | H11 | 110.5° | 110.9° |
| O3A | PA | O5D | 104.4° | 109.5° |
| O3A | PA | O1A | 106.8° | 109.4° |
| O5D | PA | O1A | 108.0° | 109.5° |
| PA | O5D | C5D | 121.9° | 123.0° |
| PA | O1A | H3 | 109.5° | 114.0° |
| N7B | C8B | N9B | 109.8° | 109.8° |
| C8B | N7B | C5B | 106.1° | 109.4° |
| N7B | C8B | H28 | 125.1° | 125.2° |
| C8B | N9B | C1E | 133.9° | 126.2° |
| C8B | N9B | C4B | 106.7° | 107.5° |
| N9B | C8B | H28 | 125.1° | 125.1° |
| O5D | C5D | C4D | 104.9° | 109.4° |
| O5D | C5D | H23 | 110.6° | 109.5° |
| O5D | C5D | H24 | 110.6° | 109.5° |
| C5D | C4D | C3D | 111.7° | 109.9° |
| C5D | C4D | O4D | 106.2° | 109.9° |
| C5D | C4D | H21 | 110.4° | 110.0° |
| C4D | C5D | H23 | 110.6° | 109.4° |
| C4D | C5D | H24 | 110.6° | 109.5° |
| O4E | C1E | N9B | 109.4° | 110.6° |
| O4E | C1E | H5 | 108.7° | 110.6° |
| N7B | C5B | C4B | 108.4° | 107.3° |
| N7B | C5B | C6B | 131.7° | 134.1° |
| C1E | N9B | C4B | 119.3° | 126.3° |
| N9B | C1E | H5 | 107.7° | 110.5° |
| N9B | C4B | C5B | 108.9° | 106.1° |
| N9B | C4B | N3B | 129.0° | 134.3° |
| O3D | C3D | C4D | 111.9° | 110.5° |
| O3D | C3D | C2D | 110.0° | 110.6° |
| O3D | C3D | H17 | 111.0° | 110.5° |
| C3D | O3D | H19 | 109.5° | 114.0° |
| C4B | C5B | C6B | 119.9° | 118.6° |
| C5B | C4B | N3B | 122.0° | 119.7° |
| C5B | C6B | O6B | 121.6° | 120.8° |
| C5B | C6B | N1B | 119.9° | 118.3° |
| C4B | N3B | C2B | 119.3° | 121.2° |
| C4D | C3D | C2D | 103.6° | 104.2° |
| C3D | C4D | O4D | 105.8° | 107.4° |
| C4D | C3D | H17 | 110.0° | 110.5° |
| C3D | C4D | H21 | 110.5° | 109.9° |
| C3D | C2D | O2D | 108.9° | 110.9° |
| C3D | C2D | C1D | 105.4° | 102.1° |
| C3D | C2D | H10 | 110.3° | 110.9° |
| C2D | C3D | H17 | 110.1° | 110.4° |
| O6B | C6B | N1B | 118.4° | 120.8° |
| C6B | N1B | C2B | 118.2° | 120.4° |
| C6B | N1B | H7 | 120.9° | 119.8° |
| N3B | C2B | N1B | 120.7° | 121.9° |
| N3B | C2B | N2B | 120.1° | 119.1° |
| C4D | O4D | C1D | 109.1° | 106.9° |
| O4D | C4D | H21 | 112.0° | 109.7° |
| N1B | C2B | N2B | 119.2° | 119.0° |
| C2B | N1B | H7 | 120.9° | 119.8° |
| C2B | N2B | H12 | 120.0° | 120.0° |
| C2B | N2B | H13 | 120.0° | 119.9° |
| O2D | C2D | C1D | 110.6° | 110.9° |
| O2D | C2D | H10 | 111.4° | 110.8° |
| C2D | O2D | H15 | 109.5° | 114.0° |
| C2D | C1D | O4D | 106.6° | 103.7° |
| C2D | C1D | N9A | 113.9° | 110.6° |
| C2D | C1D | H4 | 109.6° | 110.7° |
| C1D | C2D | H10 | 110.0° | 110.9° |
| O4D | C1D | N9A | 105.9° | 110.6° |
| O4D | C1D | H4 | 110.9° | 110.6° |
| N9A | C8A | N7A | 108.7° | 109.8° |
| C8A | N9A | C1D | 122.5° | 126.3° |
| C8A | N9A | C4A | 107.8° | 107.5° |
| N9A | C8A | H27 | 125.6° | 125.1° |
| C8A | N7A | C5A | 107.2° | 109.3° |
| N7A | C8A | H27 | 125.6° | 125.0° |
| C1D | N9A | C4A | 129.7° | 126.2° |
| N9A | C1D | H4 | 109.9° | 110.5° |
| N9A | C4A | C5A | 107.4° | 106.0° |
| N9A | C4A | N3A | 131.6° | 134.3° |
| N7A | C5A | C4A | 108.8° | 107.3° |
| N7A | C5A | C6A | 130.7° | 134.2° |
| C5A | C4A | N3A | 121.0° | 119.7° |
| C4A | C5A | C6A | 120.5° | 118.6° |
| C4A | N3A | C2A | 120.5° | 121.2° |
| C5A | C6A | O6A | 120.6° | 120.8° |
| C5A | C6A | N1A | 120.2° | 118.4° |
| N3A | C2A | N1A | 119.7° | 121.8° |
| N3A | C2A | N2A | 120.9° | 119.1° |
| O6A | C6A | N1A | 119.1° | 120.8° |
| C6A | N1A | C2A | 118.1° | 120.4° |
| C6A | N1A | H6 | 121.0° | 119.9° |
| N1A | C2A | N2A | 119.5° | 119.1° |
| C2A | N1A | H6 | 120.9° | 119.8° |
| C2A | N2A | H1 | 120.0° | 120.0° |
| C2A | N2A | H2 | 120.0° | 120.0° |
| H1 | N2A | H2 | 120.0° | 120.0° |
| H12 | N2B | H13 | 120.0° | 120.0° |
| H23 | C5D | H24 | 109.5° | 109.5° |
| H25 | C5E | H26 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2G | PG | O3C | O1G | 131.7° | 120.0° |
| O2G | PG | O3C | O5E | 113.2° | 120.0° |
| O2G | PG | O3C | PC | 158.3° | 45.0° |
| O2G | PG | O1G | O5E | 125.1° | 120.0° |
| O2G | PG | O5E | C5E | 61.0° | 54.9° |
| O2G | PG | O1G | H9 | 0.0° | 180.0° |
| O3C | PG | O1G | O5E | 108.8° | 119.9° |
| PG | O3C | PC | O1C | 155.3° | 45.0° |
| PG | O3C | PC | O3B | 88.8° | 165.0° |
| PG | O3C | PC | O2C | 34.8° | 75.0° |
| O3C | PG | O5E | C5E | 53.7° | 175.0° |
| O3C | PG | O1G | H9 | 126.1° | 60.0° |
| PC | O3C | PG | O1G | 70.1° | 75.0° |
| PC | O3C | PG | O5E | 45.1° | 165.0° |
| O3C | PC | O1C | O3B | 115.0° | 120.0° |
| O3C | PC | O1C | O2C | 119.7° | 120.0° |
| O3C | PC | O3B | O2C | 122.1° | 120.0° |
| O3C | PC | O3B | PB | 87.2° | 160.0° |
| O3C | PC | O2C | H14 | 116.4° | 60.0° |
| O1G | PG | O5E | C5E | 167.5° | 65.1° |
| PG | O5E | C5E | C4E | 125.4° | 180.0° |
| O5E | PG | O1G | H9 | 125.1° | 59.9° |
| PG | O5E | C5E | H25 | 6.2° | 60.0° |
| PG | O5E | C5E | H26 | 115.3° | 60.0° |
| O1C | PC | O3B | O2C | 124.6° | 120.0° |
| O1C | PC | O3B | PB | 159.5° | 40.0° |
| O1C | PC | O2C | H14 | 0.0° | 180.0° |
| O2B | PB | O3B | PC | 148.5° | 40.0° |
| O2B | PB | O3B | O1B | 132.3° | 120.0° |
| O2B | PB | O3B | O3A | 113.8° | 120.0° |
| O2B | PB | O1B | O3A | 119.8° | 120.0° |
| O2B | PB | O3A | PA | 117.4° | 45.0° |
| O2B | PB | O1B | H8 | 0.0° | 180.0° |
| PC | O3B | PB | O1B | 16.2° | 80.0° |
| PC | O3B | PB | O3A | 97.8° | 160.0° |
| O3B | PC | O2C | H14 | 123.1° | 60.0° |
| PB | O3B | PC | O2C | 34.9° | 80.0° |
| O3B | PB | O1B | O3A | 113.6° | 120.0° |
| O3B | PB | O3A | PA | 3.5° | 165.0° |
| O3B | PB | O1B | H8 | 126.6° | 60.0° |
| O3E | C3E | C4E | C2E | 117.7° | 118.8° |
| O3E | C3E | C4E | H18 | 123.4° | 122.6° |
| O3E | C3E | C2E | H18 | 123.1° | 122.6° |
| O3E | C3E | C4E | C5E | 119.0° | 119.7° |
| O3E | C3E | C4E | O4E | 129.9° | 120.7° |
| O3E | C3E | C2E | O2E | 16.8° | 20.4° |
| O3E | C3E | C2E | C1E | 133.8° | 97.8° |
| O3E | C3E | C2E | H11 | 106.1° | 143.9° |
| O3E | C3E | C4E | H22 | 7.0° | 1.4° |
| O1B | PB | O3A | PA | 115.5° | 75.0° |
| PB | O3A | PA | O2A | 42.4° | 40.0° |
| PB | O3A | PA | O5D | 72.6° | 160.0° |
| PB | O3A | PA | O1A | 173.1° | 80.0° |
| O3A | PB | O1B | H8 | 119.8° | 59.9° |
| O5E | C5E | C4E | C3E | 57.5° | 175.0° |
| O5E | C5E | C4E | H25 | 119.3° | 120.0° |
| O5E | C5E | C4E | H26 | 119.3° | 120.0° |
| O5E | C5E | C4E | O4E | 57.7° | 67.0° |
| O5E | C5E | C4E | H22 | 176.6° | 53.9° |
| O5E | C5E | H25 | H26 | 122.1° | 120.0° |
| C4E | C3E | C2E | H18 | 118.9° | 118.7° |
| C3E | C4E | C5E | O4E | 115.2° | 118.0° |
| C3E | C4E | C5E | H22 | 125.9° | 121.1° |
| C3E | C4E | O4E | H22 | 122.0° | 119.4° |
| C4E | C3E | C2E | O2E | 101.2° | 139.1° |
| C4E | C3E | C2E | C1E | 15.8° | 20.9° |
| C3E | C4E | O4E | C1E | 3.7° | 26.2° |
| C4E | C3E | C2E | H11 | 135.8° | 97.3° |
| C4E | C3E | O3E | H20 | 180.0° | 180.0° |
| C3E | C4E | C5E | H25 | 61.8° | 55.0° |
| C3E | C4E | C5E | H26 | 176.8° | 65.0° |
| C2E | C3E | C4E | C5E | 123.3° | 121.4° |
| C2E | C3E | C4E | O4E | 12.1° | 1.9° |
| C3E | C2E | O2E | C1E | 115.9° | 112.7° |
| C3E | C2E | O2E | H11 | 122.3° | 123.7° |
| C3E | C2E | C1E | H11 | 120.0° | 118.2° |
| C3E | C2E | C1E | O4E | 13.9° | 36.9° |
| C3E | C2E | C1E | N9B | 108.6° | 155.5° |
| C3E | C2E | C1E | H5 | 130.6° | 81.7° |
| C3E | C2E | O2E | H16 | 180.0° | 67.3° |
| C2E | C3E | O3E | H20 | 65.3° | 65.2° |
| C2E | C3E | C4E | H22 | 110.7° | 117.4° |
| C5E | C4E | O4E | H22 | 118.0° | 121.1° |
| C5E | C4E | O4E | C1E | 123.7° | 145.8° |
| C5E | C4E | C3E | H18 | 4.4° | 2.9° |
| C4E | C5E | H25 | H26 | 122.2° | 120.0° |
| O2A | PA | O3A | O5D | 115.0° | 120.0° |
| O2A | PA | O3A | O1A | 130.7° | 120.0° |
| O2A | PA | O5D | O1A | 131.0° | 120.0° |
| O2A | PA | O5D | C5D | 37.5° | 54.9° |
| O2A | PA | O1A | H3 | 0.0° | 180.0° |
| C4E | O4E | C1E | C2E | 6.4° | 39.8° |
| C4E | O4E | C1E | N9B | 120.3° | 158.4° |
| C4E | O4E | C1E | H5 | 122.4° | 78.8° |
| O4E | C4E | C3E | H18 | 106.8° | 116.7° |
| O4E | C4E | C5E | H25 | 176.9° | 173.0° |
| O4E | C4E | C5E | H26 | 61.6° | 53.0° |
| O2E | C2E | C1E | H11 | 122.4° | 123.6° |
| O2E | C2E | C1E | O4E | 103.7° | 155.1° |
| O2E | C2E | C1E | N9B | 133.8° | 86.3° |
| O2E | C2E | C1E | H5 | 13.0° | 36.5° |
| O2E | C2E | C3E | H18 | 139.9° | 102.3° |
| C2E | C1E | N9B | C8B | 106.8° | 92.9° |
| C2E | C1E | O4E | N9B | 126.7° | 118.6° |
| C2E | C1E | O4E | H5 | 116.0° | 118.6° |
| C2E | C1E | N9B | H5 | 120.8° | 122.9° |
| C2E | C1E | N9B | C4B | 76.4° | 87.1° |
| C1E | C2E | O2E | H16 | 64.1° | 180.0° |
| C1E | C2E | C3E | H18 | 103.1° | 139.5° |
| O3A | PA | O5D | O1A | 113.4° | 120.0° |
| O3A | PA | O5D | C5D | 153.2° | 175.0° |
| O3A | PA | O1A | H3 | 124.2° | 60.0° |
| PA | O5D | C5D | C4D | 154.1° | 180.0° |
| O5D | PA | O1A | H3 | 124.0° | 60.0° |
| PA | O5D | C5D | H23 | 86.7° | 60.1° |
| PA | O5D | C5D | H24 | 34.8° | 60.0° |
| O1A | PA | O5D | C5D | 93.5° | 65.1° |
| N7B | C8B | N9B | H28 | 180.0° | 179.9° |
| N7B | C8B | N9B | C1E | 178.3° | 180.0° |
| N7B | C8B | N9B | C4B | 1.2° | 0.1° |
| C8B | N7B | C5B | C4B | 0.4° | 0.0° |
| C8B | N7B | C5B | C6B | 180.0° | 179.7° |
| C8B | N9B | C1E | O4E | 14.4° | 21.4° |
| N9B | C8B | N7B | C5B | 1.0° | 0.1° |
| C8B | N9B | C1E | C4B | 176.8° | 180.0° |
| C8B | N9B | C4B | C5B | 0.9° | 0.0° |
| C8B | N9B | C4B | N3B | 179.8° | 180.0° |
| C8B | N9B | C1E | H5 | 132.4° | 144.3° |
| O5D | C5D | C4D | H23 | 119.3° | 120.0° |
| O5D | C5D | C4D | H24 | 119.3° | 120.0° |
| O5D | C5D | C4D | C3D | 88.3° | 175.0° |
| O5D | C5D | C4D | O4D | 26.6° | 67.0° |
| O5D | C5D | C4D | H21 | 148.2° | 53.9° |
| O5D | C5D | H23 | H24 | 122.1° | 120.0° |
| C5D | C4D | C3D | O3D | 96.5° | 119.7° |
| C5D | C4D | C3D | O4D | 115.1° | 119.5° |
| C5D | C4D | C3D | H21 | 123.4° | 121.1° |
| C5D | C4D | C3D | C2D | 145.0° | 121.4° |
| C5D | C4D | O4D | H21 | 120.6° | 121.1° |
| C5D | C4D | O4D | C1D | 149.0° | 145.7° |
| C5D | C4D | C3D | H17 | 27.4° | 2.8° |
| C4D | C5D | H23 | H24 | 122.1° | 120.0° |
| O4E | C1E | N9B | H5 | 118.0° | 122.9° |
| O4E | C1E | N9B | C4B | 162.4° | 158.6° |
| O4E | C1E | C2E | H11 | 133.9° | 81.3° |
| C1E | O4E | C4E | H22 | 118.3° | 93.1° |
| N7B | C5B | C4B | N9B | 0.3° | 0.0° |
| N7B | C5B | C4B | C6B | 179.7° | 179.7° |
| N7B | C5B | C4B | N3B | 179.3° | 180.0° |
| N7B | C5B | C6B | O6B | 0.3° | 0.4° |
| N7B | C5B | C6B | N1B | 179.5° | 179.8° |
| C5B | N7B | C8B | H28 | 179.0° | 179.9° |
| C1E | N9B | C4B | C5B | 178.5° | 180.0° |
| C1E | N9B | C4B | N3B | 2.6° | 0.0° |
| N9B | C1E | C2E | H11 | 11.4° | 37.3° |
| C1E | N9B | C8B | H28 | 1.7° | 0.1° |
| N9B | C4B | C5B | N3B | 179.0° | 180.0° |
| N9B | C4B | C5B | C6B | 179.3° | 179.7° |
| N9B | C4B | N3B | C2B | 179.3° | 180.0° |
| C4B | N9B | C1E | H5 | 44.4° | 35.7° |
| C4B | N9B | C8B | H28 | 178.8° | 179.9° |
| O3D | C3D | C4D | C2D | 118.4° | 118.8° |
| O3D | C3D | C4D | H17 | 123.9° | 122.6° |
| O3D | C3D | C2D | H17 | 122.6° | 122.6° |
| O3D | C3D | C4D | O4D | 148.3° | 120.7° |
| O3D | C3D | C2D | O2D | 19.9° | 20.3° |
| O3D | C3D | C2D | C1D | 138.6° | 97.8° |
| O3D | C3D | C2D | H10 | 102.7° | 144.0° |
| O3D | C3D | C4D | H21 | 26.9° | 1.4° |
| C4B | C5B | C6B | O6B | 179.9° | 179.9° |
| C4B | C5B | C6B | N1B | 0.1° | 0.5° |
| C5B | C4B | N3B | C2B | 0.6° | 0.0° |
| C6B | C5B | C4B | N3B | 0.4° | 0.2° |
| C5B | C6B | O6B | N1B | 179.8° | 179.4° |
| C5B | C6B | N1B | C2B | 0.0° | 0.5° |
| C5B | C6B | N1B | H7 | 180.0° | 179.7° |
| C4B | N3B | C2B | N1B | 0.4° | 0.0° |
| C4B | N3B | C2B | N2B | 179.5° | 180.0° |
| C4D | C3D | C2D | H17 | 117.6° | 118.6° |
| C3D | C4D | O4D | H21 | 120.5° | 119.4° |
| C4D | C3D | C2D | O2D | 99.8° | 139.1° |
| C4D | C3D | C2D | C1D | 18.8° | 20.9° |
| C3D | C4D | O4D | C1D | 30.1° | 26.2° |
| C4D | C3D | C2D | H10 | 137.6° | 97.3° |
| C4D | C3D | O3D | H19 | 180.0° | 180.0° |
| C3D | C4D | C5D | H23 | 30.9° | 55.0° |
| C3D | C4D | C5D | H24 | 152.4° | 65.0° |
| C2D | C3D | C4D | O4D | 29.9° | 1.9° |
| C3D | C2D | O2D | C1D | 115.4° | 112.7° |
| C3D | C2D | O2D | H10 | 121.9° | 123.7° |
| C3D | C2D | C1D | H10 | 118.9° | 118.2° |
| C3D | C2D | C1D | O4D | 1.8° | 36.9° |
| C3D | C2D | C1D | N9A | 114.6° | 155.5° |
| C3D | C2D | C1D | H4 | 121.8° | 81.7° |
| C3D | C2D | O2D | H15 | 180.0° | 67.3° |
| C2D | C3D | O3D | H19 | 65.4° | 65.2° |
| C2D | C3D | C4D | H21 | 91.5° | 117.4° |
| O6B | C6B | N1B | C2B | 179.8° | 180.0° |
| O6B | C6B | N1B | H7 | 0.2° | 0.3° |
| C6B | N1B | C2B | N3B | 0.2° | 0.3° |
| C6B | N1B | C2B | H7 | 180.0° | 179.7° |
| C6B | N1B | C2B | N2B | 179.8° | 179.7° |
| N3B | C2B | N1B | N2B | 179.9° | 180.0° |
| N3B | C2B | N1B | H7 | 179.8° | 180.0° |
| N3B | C2B | N2B | H12 | 0.0° | 180.0° |
| N3B | C2B | N2B | H13 | 180.0° | 0.0° |
| C4D | O4D | C1D | C2D | 17.7° | 39.8° |
| C4D | O4D | C1D | N9A | 139.4° | 158.4° |
| C4D | O4D | C1D | H4 | 101.5° | 78.8° |
| O4D | C4D | C3D | H17 | 87.8° | 116.7° |
| O4D | C4D | C5D | H23 | 145.8° | 173.0° |
| O4D | C4D | C5D | H24 | 92.7° | 53.0° |
| N1B | C2B | N2B | H12 | 180.0° | 0.0° |
| N1B | C2B | N2B | H13 | 0.1° | 180.0° |
| N2B | C2B | N1B | H7 | 0.2° | 0.0° |
| C2B | N2B | H12 | H13 | 180.0° | 180.0° |
| O2D | C2D | C1D | H10 | 123.5° | 123.6° |
| O2D | C2D | C1D | O4D | 115.7° | 155.1° |
| O2D | C2D | C1D | N9A | 127.9° | 86.3° |
| O2D | C2D | C1D | H4 | 4.3° | 36.5° |
| O2D | C2D | C3D | H17 | 142.5° | 102.3° |
| C2D | C1D | O4D | N9A | 121.7° | 118.6° |
| C2D | C1D | O4D | H4 | 119.2° | 118.6° |
| C2D | C1D | N9A | C8A | 125.5° | 92.8° |
| C2D | C1D | N9A | H4 | 123.4° | 122.9° |
| C2D | C1D | N9A | C4A | 54.8° | 86.7° |
| C1D | C2D | O2D | H15 | 64.6° | 180.0° |
| C1D | C2D | C3D | H17 | 98.8° | 139.5° |
| O4D | C1D | N9A | C8A | 8.7° | 21.5° |
| O4D | C1D | N9A | H4 | 119.8° | 122.8° |
| O4D | C1D | N9A | C4A | 171.6° | 159.0° |
| O4D | C1D | C2D | H10 | 120.7° | 81.3° |
| C1D | O4D | C4D | H21 | 90.4° | 93.2° |
| N9A | C8A | N7A | H27 | 180.0° | 179.6° |
| C8A | N9A | C1D | C4A | 179.7° | 179.5° |
| N9A | C8A | N7A | C5A | 0.0° | 0.3° |
| C8A | N9A | C4A | C5A | 0.3° | 0.4° |
| C8A | N9A | C4A | N3A | 179.9° | 179.9° |
| C8A | N9A | C1D | H4 | 111.1° | 144.3° |
| N7A | C8A | N9A | C1D | 179.9° | 180.0° |
| N7A | C8A | N9A | C4A | 0.2° | 0.4° |
| C8A | N7A | C5A | C4A | 0.2° | 0.0° |
| C8A | N7A | C5A | C6A | 179.9° | 179.8° |
| C1D | N9A | C4A | C5A | 180.0° | 179.9° |
| C1D | N9A | C4A | N3A | 0.2° | 0.4° |
| N9A | C1D | C2D | H10 | 4.3° | 37.3° |
| C1D | N9A | C8A | H27 | 0.1° | 0.4° |
| N9A | C4A | C5A | N7A | 0.3° | 0.2° |
| N9A | C4A | C5A | N3A | 179.8° | 179.7° |
| N9A | C4A | C5A | C6A | 179.8° | 180.0° |
| N9A | C4A | N3A | C2A | 179.6° | 179.7° |
| C4A | N9A | C1D | H4 | 68.6° | 36.2° |
| C4A | N9A | C8A | H27 | 179.9° | 180.0° |
| N7A | C5A | C4A | C6A | 179.9° | 179.8° |
| N7A | C5A | C4A | N3A | 179.9° | 180.0° |
| N7A | C5A | C6A | O6A | 0.1° | 0.2° |
| N7A | C5A | C6A | N1A | 179.9° | 179.8° |
| C5A | N7A | C8A | H27 | 180.0° | 179.9° |
| C5A | C4A | N3A | C2A | 0.2° | 0.0° |
| C4A | C5A | C6A | O6A | 179.8° | 180.0° |
| C4A | C5A | C6A | N1A | 0.1° | 0.4° |
| N3A | C4A | C5A | C6A | 0.0° | 0.2° |
| C4A | N3A | C2A | N1A | 0.4° | 0.0° |
| C4A | N3A | C2A | N2A | 179.6° | 179.8° |
| C5A | C6A | O6A | N1A | 179.9° | 179.6° |
| C5A | C6A | N1A | C2A | 0.0° | 0.4° |
| C5A | C6A | N1A | H6 | 180.0° | 179.6° |
| N3A | C2A | N1A | C6A | 0.2° | 0.3° |
| N3A | C2A | N1A | N2A | 179.9° | 179.7° |
| N3A | C2A | N2A | H1 | 0.0° | 179.7° |
| N3A | C2A | N2A | H2 | 180.0° | 0.2° |
| N3A | C2A | N1A | H6 | 179.8° | 179.8° |
| O6A | C6A | N1A | C2A | 179.9° | 179.9° |
| O6A | C6A | N1A | H6 | 0.1° | 0.1° |
| C6A | N1A | C2A | H6 | 180.0° | 180.0° |
| C6A | N1A | C2A | N2A | 179.7° | 180.0° |
| N1A | C2A | N2A | H1 | 179.9° | 0.1° |
| N1A | C2A | N2A | H2 | 0.1° | 179.9° |
| C2A | N2A | H1 | H2 | 180.0° | 179.9° |
| N2A | C2A | N1A | H6 | 0.3° | 0.0° |
| H4 | C1D | C2D | H10 | 119.2° | 160.1° |
| H5 | C1E | C2E | H11 | 109.4° | 160.1° |
| H10 | C2D | O2D | H15 | 58.1° | 56.4° |
| H10 | C2D | C3D | H17 | 20.0° | 21.3° |
| H11 | C2E | O2E | H16 | 57.7° | 56.4° |
| H11 | C2E | C3E | H18 | 16.9° | 21.3° |
| H17 | C3D | O3D | H19 | 56.7° | 57.4° |
| H17 | C3D | C4D | H21 | 150.8° | 124.0° |
| H18 | C3E | O3E | H20 | 57.2° | 57.4° |
| H18 | C3E | C4E | H22 | 130.4° | 124.0° |
| H21 | C4D | C5D | H23 | 92.6° | 66.1° |
| H21 | C4D | C5D | H24 | 28.9° | 173.9° |
| H22 | C4E | C5E | H25 | 64.2° | 66.1° |
| H22 | C4E | C5E | H26 | 57.3° | 173.9° |
