EQ1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2G | PG | doub | 1.48Å | 1.60Å | |
| PG | O1G | sing | 1.61Å | 1.49Å | |
| PG | O5E | sing | 1.61Å | 1.66Å | |
| PG | N2C | sing | 1.64Å | 1.60Å | |
| C2C | N2C | sing | 1.36Å | 1.33Å | Aromatic |
| C2C | C3C | doub | 1.34Å | 1.33Å | Aromatic |
| O5E | C5E | sing | 1.43Å | 1.46Å | |
| C5E | C4E | sing | 1.53Å | 1.53Å | |
| N2C | C1C | doub | 1.33Å | 1.33Å | Aromatic |
| O3E | C3E | sing | 1.43Å | 1.43Å | |
| C3C | N1C | sing | 1.36Å | 1.34Å | Aromatic |
| C3E | C4E | sing | 1.54Å | 1.54Å | |
| C3E | C2E | sing | 1.55Å | 1.49Å | |
| C1C | N1C | sing | 1.33Å | 1.34Å | Aromatic |
| C1C | N3C | sing | 1.38Å | 1.34Å | |
| C4E | O4E | sing | 1.44Å | 1.44Å | |
| N1C | PA | sing | 1.64Å | 1.65Å | |
| C2E | O2E | sing | 1.43Å | 1.46Å | |
| C2E | C1E | sing | 1.55Å | 1.55Å | |
| O4E | C1E | sing | 1.44Å | 1.43Å | |
| O3D | C3D | sing | 1.43Å | 1.46Å | |
| PA | O2A | doub | 1.48Å | 1.48Å | |
| PA | O1A | sing | 1.61Å | 1.48Å | |
| PA | O5D | sing | 1.61Å | 1.65Å | |
| C8B | N7B | doub | 1.30Å | 1.34Å | Aromatic |
| C8B | N9B | sing | 1.36Å | 1.34Å | Aromatic |
| C1E | N9B | sing | 1.47Å | 1.51Å | |
| N7B | C5B | sing | 1.36Å | 1.33Å | Aromatic |
| N9B | C4B | sing | 1.37Å | 1.34Å | Aromatic |
| C5B | C4B | doub | 1.40Å | 1.36Å | Aromatic |
| C5B | C6B | sing | 1.41Å | 1.34Å | |
| C4B | N3B | sing | 1.34Å | 1.36Å | |
| C3D | C4D | sing | 1.54Å | 1.51Å | |
| C3D | C2D | sing | 1.55Å | 1.50Å | |
| O6B | C6B | doub | 1.22Å | 1.23Å | |
| C6B | N1B | sing | 1.35Å | 1.40Å | |
| N3B | C2B | doub | 1.31Å | 1.34Å | |
| C5D | O5D | sing | 1.43Å | 1.41Å | |
| C5D | C4D | sing | 1.53Å | 1.54Å | |
| N1B | C2B | sing | 1.36Å | 1.39Å | |
| C2B | N2B | sing | 1.37Å | 1.31Å | |
| C4D | O4D | sing | 1.44Å | 1.45Å | |
| C2D | O2D | sing | 1.43Å | 1.41Å | |
| C2D | C1D | sing | 1.55Å | 1.53Å | |
| C8A | N7A | doub | 1.30Å | 1.34Å | Aromatic |
| C8A | N9A | sing | 1.36Å | 1.34Å | Aromatic |
| N7A | C5A | sing | 1.36Å | 1.34Å | Aromatic |
| O4D | C1D | sing | 1.44Å | 1.43Å | |
| N9A | C1D | sing | 1.47Å | 1.56Å | |
| N9A | C4A | sing | 1.37Å | 1.34Å | Aromatic |
| C5A | C4A | doub | 1.40Å | 1.34Å | Aromatic |
| C5A | C6A | sing | 1.41Å | 1.35Å | |
| C4A | N3A | sing | 1.34Å | 1.34Å | |
| O6A | C6A | doub | 1.22Å | 1.24Å | |
| C6A | N1A | sing | 1.35Å | 1.42Å | |
| N3A | C2A | doub | 1.31Å | 1.34Å | |
| N1A | C2A | sing | 1.36Å | 1.40Å | |
| C2A | N2A | sing | 1.37Å | 1.33Å | |
| C1D | H1 | sing | 1.09Å | 1.10Å | |
| C1E | H2 | sing | 1.09Å | 1.10Å | |
| N1A | H3 | sing | 0.97Å | 1.00Å | |
| N1B | H4 | sing | 0.97Å | 1.00Å | |
| O1A | H5 | sing | 0.97Å | 0.95Å | |
| O1G | H6 | sing | 0.97Å | 0.95Å | |
| C2C | H7 | sing | 1.08Å | 1.08Å | |
| C2D | H8 | sing | 1.09Å | 1.10Å | |
| C2E | H9 | sing | 1.09Å | 1.10Å | |
| N2A | H10 | sing | 0.97Å | 1.00Å | |
| N2A | H11 | sing | 0.97Å | 1.00Å | |
| N2B | H12 | sing | 0.97Å | 1.00Å | |
| N2B | H13 | sing | 0.97Å | 1.00Å | |
| O2D | H14 | sing | 0.97Å | 0.95Å | |
| O2E | H15 | sing | 0.97Å | 0.95Å | |
| C3C | H16 | sing | 1.08Å | 1.08Å | |
| C3D | H17 | sing | 1.09Å | 1.10Å | |
| C3E | H18 | sing | 1.09Å | 1.10Å | |
| N3C | H19 | sing | 0.97Å | 1.00Å | |
| N3C | H20 | sing | 0.97Å | 1.00Å | |
| O3D | H21 | sing | 0.97Å | 0.95Å | |
| O3E | H22 | sing | 0.97Å | 0.95Å | |
| C4D | H23 | sing | 1.09Å | 1.10Å | |
| C4E | H24 | sing | 1.09Å | 1.10Å | |
| C5D | H25 | sing | 1.09Å | 1.10Å | |
| C5D | H26 | sing | 1.09Å | 1.10Å | |
| C5E | H27 | sing | 1.09Å | 1.10Å | |
| C5E | H28 | sing | 1.09Å | 1.10Å | |
| C8A | H29 | sing | 1.08Å | 1.08Å | |
| C8B | H30 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2G | PG | O1G | 110.6° | 109.5° |
| O2G | PG | O5E | 101.1° | 109.5° |
| O2G | PG | N2C | 106.6° | 109.5° |
| O1G | PG | O5E | 108.9° | 109.5° |
| O1G | PG | N2C | 117.9° | 109.5° |
| PG | O1G | H6 | 109.5° | 114.0° |
| O5E | PG | N2C | 110.5° | 109.5° |
| PG | O5E | C5E | 129.3° | 123.0° |
| PG | N2C | C2C | 127.8° | 126.0° |
| PG | N2C | C1C | 123.8° | 125.9° |
| N2C | C2C | C3C | 107.5° | 107.5° |
| C2C | N2C | C1C | 108.5° | 108.2° |
| N2C | C2C | H7 | 126.3° | 126.2° |
| C2C | C3C | N1C | 108.5° | 107.5° |
| C3C | C2C | H7 | 126.2° | 126.3° |
| C2C | C3C | H16 | 125.8° | 126.2° |
| O5E | C5E | C4E | 106.6° | 109.5° |
| O5E | C5E | H27 | 110.2° | 109.5° |
| O5E | C5E | H28 | 110.2° | 109.5° |
| C5E | C4E | C3E | 109.0° | 109.9° |
| C5E | C4E | O4E | 113.7° | 110.0° |
| C5E | C4E | H24 | 109.2° | 110.0° |
| C4E | C5E | H27 | 110.2° | 109.5° |
| C4E | C5E | H28 | 110.2° | 109.5° |
| N2C | C1C | N1C | 108.2° | 108.7° |
| N2C | C1C | N3C | 125.0° | 125.7° |
| O3E | C3E | C4E | 110.7° | 110.5° |
| O3E | C3E | C2E | 109.6° | 110.6° |
| O3E | C3E | H18 | 111.3° | 110.5° |
| C3E | O3E | H22 | 109.5° | 114.0° |
| C3C | N1C | C1C | 107.3° | 108.2° |
| C3C | N1C | PA | 128.4° | 125.9° |
| N1C | C3C | H16 | 125.7° | 126.3° |
| C4E | C3E | C2E | 105.0° | 104.2° |
| C3E | C4E | O4E | 105.3° | 107.4° |
| C4E | C3E | H18 | 109.7° | 110.4° |
| C3E | C4E | H24 | 109.0° | 109.9° |
| C3E | C2E | O2E | 107.9° | 110.9° |
| C3E | C2E | C1E | 105.7° | 102.1° |
| C3E | C2E | H9 | 109.3° | 110.9° |
| C2E | C3E | H18 | 110.4° | 110.4° |
| N1C | C1C | N3C | 126.8° | 125.6° |
| C1C | N1C | PA | 124.2° | 125.9° |
| C1C | N3C | H19 | 120.0° | 120.0° |
| C1C | N3C | H20 | 120.0° | 119.9° |
| C4E | O4E | C1E | 111.1° | 106.9° |
| O4E | C4E | H24 | 110.4° | 109.7° |
| N1C | PA | O2A | 120.3° | 109.5° |
| N1C | PA | O1A | 117.0° | 109.5° |
| N1C | PA | O5D | 95.3° | 109.4° |
| O2E | C2E | C1E | 115.4° | 110.9° |
| O2E | C2E | H9 | 109.7° | 110.8° |
| C2E | O2E | H15 | 109.5° | 114.0° |
| C2E | C1E | O4E | 106.8° | 103.6° |
| C2E | C1E | N9B | 115.7° | 110.6° |
| C2E | C1E | H2 | 108.8° | 110.7° |
| C1E | C2E | H9 | 108.6° | 110.9° |
| O4E | C1E | N9B | 105.7° | 110.6° |
| O4E | C1E | H2 | 110.5° | 110.6° |
| O3D | C3D | C4D | 109.4° | 110.5° |
| O3D | C3D | C2D | 111.1° | 110.5° |
| O3D | C3D | H17 | 112.1° | 110.6° |
| C3D | O3D | H21 | 109.5° | 114.0° |
| O2A | PA | O1A | 118.7° | 109.5° |
| O2A | PA | O5D | 95.5° | 109.5° |
| O1A | PA | O5D | 99.2° | 109.5° |
| PA | O1A | H5 | 109.5° | 114.0° |
| PA | O5D | C5D | 122.0° | 123.0° |
| N7B | C8B | N9B | 109.4° | 109.8° |
| C8B | N7B | C5B | 107.6° | 109.3° |
| N7B | C8B | H30 | 125.3° | 125.1° |
| C8B | N9B | C1E | 128.1° | 126.3° |
| C8B | N9B | C4B | 106.7° | 107.5° |
| N9B | C8B | H30 | 125.3° | 125.1° |
| C1E | N9B | C4B | 125.2° | 126.2° |
| N9B | C1E | H2 | 109.3° | 110.6° |
| N7B | C5B | C4B | 107.9° | 107.3° |
| N7B | C5B | C6B | 131.3° | 134.1° |
| N9B | C4B | C5B | 108.5° | 106.1° |
| N9B | C4B | N3B | 129.9° | 134.2° |
| C4B | C5B | C6B | 120.8° | 118.6° |
| C5B | C4B | N3B | 121.6° | 119.7° |
| C5B | C6B | O6B | 123.0° | 120.9° |
| C5B | C6B | N1B | 118.6° | 118.3° |
| C4B | N3B | C2B | 119.5° | 121.1° |
| C4D | C3D | C2D | 100.9° | 104.2° |
| C3D | C4D | C5D | 110.7° | 109.9° |
| C3D | C4D | O4D | 105.6° | 107.3° |
| C4D | C3D | H17 | 111.3° | 110.5° |
| C3D | C4D | H23 | 108.8° | 109.9° |
| C3D | C2D | O2D | 106.8° | 110.9° |
| C3D | C2D | C1D | 103.4° | 102.1° |
| C3D | C2D | H8 | 111.1° | 110.9° |
| C2D | C3D | H17 | 111.5° | 110.4° |
| O6B | C6B | N1B | 118.4° | 120.8° |
| C6B | N1B | C2B | 119.6° | 120.3° |
| C6B | N1B | H4 | 120.2° | 119.9° |
| N3B | C2B | N1B | 119.9° | 121.9° |
| N3B | C2B | N2B | 121.6° | 119.0° |
| O5D | C5D | C4D | 107.2° | 109.5° |
| O5D | C5D | H25 | 110.0° | 109.5° |
| O5D | C5D | H26 | 110.0° | 109.5° |
| C5D | C4D | O4D | 113.6° | 109.8° |
| C5D | C4D | H23 | 108.5° | 110.0° |
| C4D | C5D | H25 | 110.1° | 109.4° |
| C4D | C5D | H26 | 110.0° | 109.5° |
| N1B | C2B | N2B | 118.5° | 119.0° |
| C2B | N1B | H4 | 120.2° | 119.8° |
| C2B | N2B | H12 | 120.0° | 120.0° |
| C2B | N2B | H13 | 120.0° | 120.0° |
| C4D | O4D | C1D | 110.7° | 106.9° |
| O4D | C4D | H23 | 109.6° | 109.9° |
| O2D | C2D | C1D | 111.8° | 110.9° |
| O2D | C2D | H8 | 112.6° | 110.8° |
| C2D | O2D | H14 | 109.5° | 114.0° |
| C2D | C1D | O4D | 103.3° | 103.5° |
| C2D | C1D | N9A | 114.8° | 110.6° |
| C2D | C1D | H1 | 108.7° | 110.6° |
| C1D | C2D | H8 | 110.7° | 111.0° |
| N7A | C8A | N9A | 109.5° | 109.8° |
| C8A | N7A | C5A | 107.0° | 109.3° |
| N7A | C8A | H29 | 125.2° | 125.1° |
| C8A | N9A | C1D | 133.5° | 126.2° |
| C8A | N9A | C4A | 106.3° | 107.5° |
| N9A | C8A | H29 | 125.2° | 125.1° |
| N7A | C5A | C4A | 108.1° | 107.3° |
| N7A | C5A | C6A | 132.5° | 134.1° |
| O4D | C1D | N9A | 111.7° | 110.7° |
| O4D | C1D | H1 | 110.0° | 110.6° |
| C1D | N9A | C4A | 120.1° | 126.3° |
| N9A | C1D | H1 | 108.2° | 110.5° |
| N9A | C4A | C5A | 109.0° | 106.1° |
| N9A | C4A | N3A | 129.5° | 134.2° |
| C4A | C5A | C6A | 119.4° | 118.6° |
| C5A | C4A | N3A | 121.5° | 119.7° |
| C5A | C6A | O6A | 121.1° | 120.8° |
| C5A | C6A | N1A | 120.0° | 118.3° |
| C4A | N3A | C2A | 122.5° | 121.1° |
| O6A | C6A | N1A | 118.9° | 120.8° |
| C6A | N1A | C2A | 118.6° | 120.3° |
| C6A | N1A | H3 | 120.7° | 119.8° |
| N3A | C2A | N1A | 118.1° | 121.9° |
| N3A | C2A | N2A | 120.0° | 119.0° |
| N1A | C2A | N2A | 121.9° | 119.1° |
| C2A | N1A | H3 | 120.7° | 119.8° |
| C2A | N2A | H10 | 120.0° | 120.0° |
| C2A | N2A | H11 | 120.0° | 120.1° |
| H10 | N2A | H11 | 120.0° | 119.9° |
| H12 | N2B | H13 | 120.0° | 120.0° |
| H19 | N3C | H20 | 120.0° | 120.1° |
| H25 | C5D | H26 | 109.5° | 109.5° |
| H27 | C5E | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2G | PG | O1G | O5E | 110.2° | 120.0° |
| O2G | PG | O1G | N2C | 122.9° | 120.0° |
| O2G | PG | O5E | N2C | 112.6° | 120.0° |
| O2G | PG | N2C | C2C | 32.7° | 150.0° |
| O2G | PG | O5E | C5E | 78.8° | 55.0° |
| O2G | PG | N2C | C1C | 146.9° | 30.0° |
| O2G | PG | O1G | H6 | 0.0° | 180.0° |
| O1G | PG | O5E | N2C | 130.9° | 120.0° |
| O1G | PG | N2C | C2C | 157.7° | 90.0° |
| O1G | PG | O5E | C5E | 164.7° | 65.0° |
| O1G | PG | N2C | C1C | 21.9° | 90.0° |
| O5E | PG | N2C | C2C | 76.3° | 30.0° |
| PG | O5E | C5E | C4E | 139.7° | 180.0° |
| O5E | PG | N2C | C1C | 104.1° | 150.0° |
| O5E | PG | O1G | H6 | 110.2° | 60.0° |
| PG | O5E | C5E | H27 | 100.7° | 60.0° |
| PG | O5E | C5E | H28 | 20.1° | 60.0° |
| PG | N2C | C2C | C1C | 179.6° | 180.0° |
| PG | N2C | C2C | C3C | 179.9° | 179.7° |
| N2C | PG | O5E | C5E | 33.7° | 175.0° |
| PG | N2C | C1C | N1C | 179.7° | 179.9° |
| PG | N2C | C1C | N3C | 0.3° | 0.3° |
| N2C | PG | O1G | H6 | 122.9° | 60.0° |
| PG | N2C | C2C | H7 | 0.1° | 0.0° |
| N2C | C2C | C3C | H7 | 180.0° | 179.8° |
| N2C | C2C | C3C | N1C | 0.1° | 0.5° |
| C2C | N2C | C1C | N1C | 0.6° | 0.1° |
| C2C | N2C | C1C | N3C | 179.3° | 179.7° |
| N2C | C2C | C3C | H16 | 179.9° | 180.0° |
| C3C | C2C | N2C | C1C | 0.4° | 0.3° |
| C2C | C3C | N1C | H16 | 180.0° | 179.5° |
| C2C | C3C | N1C | C1C | 0.3° | 0.5° |
| C2C | C3C | N1C | PA | 179.4° | 179.6° |
| O5E | C5E | C4E | H27 | 119.5° | 120.0° |
| O5E | C5E | C4E | H28 | 119.5° | 120.0° |
| O5E | C5E | C4E | C3E | 75.8° | 175.0° |
| O5E | C5E | C4E | O4E | 41.3° | 67.0° |
| O5E | C5E | C4E | H24 | 165.1° | 53.9° |
| O5E | C5E | H27 | H28 | 121.3° | 120.0° |
| C5E | C4E | C3E | O3E | 94.4° | 119.7° |
| C5E | C4E | C3E | O4E | 122.4° | 119.6° |
| C5E | C4E | C3E | H24 | 119.1° | 121.2° |
| C5E | C4E | C3E | C2E | 147.4° | 121.4° |
| C5E | C4E | O4E | H24 | 123.2° | 121.1° |
| C5E | C4E | O4E | C1E | 140.4° | 145.8° |
| C5E | C4E | C3E | H18 | 28.8° | 2.9° |
| C4E | C5E | H27 | H28 | 121.4° | 120.0° |
| N2C | C1C | N1C | C3C | 0.6° | 0.3° |
| N2C | C1C | N1C | N3C | 180.0° | 179.7° |
| N2C | C1C | N1C | PA | 179.2° | 179.8° |
| C1C | N2C | C2C | H7 | 179.6° | 180.0° |
| N2C | C1C | N3C | H19 | 180.0° | 179.7° |
| N2C | C1C | N3C | H20 | 0.0° | 0.3° |
| O3E | C3E | C4E | C2E | 118.2° | 118.8° |
| O3E | C3E | C4E | H18 | 123.2° | 122.6° |
| O3E | C3E | C2E | H18 | 122.9° | 122.6° |
| O3E | C3E | C4E | O4E | 143.2° | 120.7° |
| O3E | C3E | C2E | O2E | 14.6° | 20.3° |
| O3E | C3E | C2E | C1E | 138.6° | 97.9° |
| O3E | C3E | C2E | H9 | 104.7° | 143.9° |
| O3E | C3E | C4E | H24 | 24.7° | 1.5° |
| C3C | N1C | C1C | PA | 179.7° | 179.9° |
| C3C | N1C | C1C | N3C | 179.4° | 180.0° |
| C3C | N1C | PA | O2A | 14.7° | 89.9° |
| C3C | N1C | PA | O1A | 172.1° | 150.1° |
| C3C | N1C | PA | O5D | 84.8° | 30.1° |
| N1C | C3C | C2C | H7 | 179.9° | 179.8° |
| C4E | C3E | C2E | H18 | 118.2° | 118.6° |
| C3E | C4E | O4E | H24 | 117.6° | 119.4° |
| C4E | C3E | C2E | O2E | 104.3° | 139.1° |
| C4E | C3E | C2E | C1E | 19.7° | 20.9° |
| C3E | C4E | O4E | C1E | 21.1° | 26.2° |
| C4E | C3E | C2E | H9 | 136.4° | 97.3° |
| C4E | C3E | O3E | H22 | 180.0° | 180.0° |
| C3E | C4E | C5E | H27 | 43.7° | 55.0° |
| C3E | C4E | C5E | H28 | 164.6° | 65.0° |
| C2E | C3E | C4E | O4E | 25.1° | 1.9° |
| C3E | C2E | O2E | C1E | 117.9° | 112.7° |
| C3E | C2E | O2E | H9 | 119.0° | 123.7° |
| C3E | C2E | C1E | H9 | 117.2° | 118.2° |
| C3E | C2E | C1E | O4E | 7.7° | 37.0° |
| C3E | C2E | C1E | N9B | 109.6° | 155.5° |
| C3E | C2E | C1E | H2 | 126.9° | 81.6° |
| C3E | C2E | O2E | H15 | 180.0° | 67.3° |
| C2E | C3E | O3E | H22 | 64.7° | 65.1° |
| C2E | C3E | C4E | H24 | 93.5° | 117.4° |
| C1C | N1C | PA | O2A | 165.6° | 89.9° |
| C1C | N1C | PA | O1A | 8.2° | 30.1° |
| C1C | N1C | PA | O5D | 94.9° | 150.1° |
| C1C | N1C | C3C | H16 | 179.7° | 180.0° |
| N1C | C1C | N3C | H19 | 0.0° | 0.1° |
| N1C | C1C | N3C | H20 | 180.0° | 179.9° |
| N3C | C1C | N1C | PA | 0.8° | 0.1° |
| C1C | N3C | H19 | H20 | 180.0° | 180.0° |
| C4E | O4E | C1E | C2E | 8.7° | 39.8° |
| C4E | O4E | C1E | N9B | 132.4° | 158.4° |
| C4E | O4E | C1E | H2 | 109.4° | 78.8° |
| O4E | C4E | C3E | H18 | 93.6° | 116.7° |
| O4E | C4E | C5E | H27 | 160.8° | 173.0° |
| O4E | C4E | C5E | H28 | 78.2° | 53.0° |
| N1C | PA | O2A | O1A | 157.0° | 120.0° |
| N1C | PA | O2A | O5D | 99.4° | 120.0° |
| N1C | PA | O1A | O5D | 100.8° | 119.9° |
| N1C | PA | O5D | C5D | 75.6° | 175.0° |
| N1C | PA | O1A | H5 | 157.7° | 60.0° |
| PA | N1C | C3C | H16 | 0.6° | 0.1° |
| O2E | C2E | C1E | H9 | 123.6° | 123.6° |
| O2E | C2E | C1E | O4E | 111.5° | 155.2° |
| O2E | C2E | C1E | N9B | 131.2° | 86.3° |
| O2E | C2E | C1E | H2 | 7.7° | 36.6° |
| O2E | C2E | C3E | H18 | 137.5° | 102.3° |
| C2E | C1E | O4E | N9B | 123.7° | 118.6° |
| C2E | C1E | O4E | H2 | 118.1° | 118.6° |
| C2E | C1E | N9B | C8B | 128.6° | 92.8° |
| C2E | C1E | N9B | H2 | 123.2° | 122.9° |
| C2E | C1E | N9B | C4B | 53.7° | 87.2° |
| C1E | C2E | O2E | H15 | 62.1° | 180.0° |
| C1E | C2E | C3E | H18 | 98.5° | 139.5° |
| O4E | C1E | N9B | C8B | 10.7° | 21.4° |
| O4E | C1E | N9B | H2 | 118.9° | 122.8° |
| O4E | C1E | N9B | C4B | 171.5° | 158.6° |
| O4E | C1E | C2E | H9 | 124.9° | 81.2° |
| C1E | O4E | C4E | H24 | 96.4° | 93.1° |
| O3D | C3D | C4D | C2D | 117.2° | 118.7° |
| O3D | C3D | C4D | H17 | 124.5° | 122.7° |
| O3D | C3D | C2D | H17 | 125.9° | 122.7° |
| O3D | C3D | C4D | C5D | 88.5° | 119.9° |
| O3D | C3D | C4D | O4D | 148.2° | 120.7° |
| O3D | C3D | C2D | O2D | 37.4° | 20.4° |
| O3D | C3D | C2D | C1D | 155.4° | 97.8° |
| O3D | C3D | C2D | H8 | 85.7° | 144.0° |
| O3D | C3D | C4D | H23 | 30.6° | 1.3° |
| O2A | PA | O1A | O5D | 101.5° | 120.0° |
| O2A | PA | O5D | C5D | 45.6° | 55.0° |
| O2A | PA | O1A | H5 | 0.0° | 180.0° |
| O1A | PA | O5D | C5D | 165.9° | 65.0° |
| PA | O5D | C5D | C4D | 155.5° | 180.0° |
| O5D | PA | O1A | H5 | 101.5° | 60.0° |
| PA | O5D | C5D | H25 | 35.8° | 60.0° |
| PA | O5D | C5D | H26 | 84.9° | 60.0° |
| N7B | C8B | N9B | H30 | 180.0° | 180.0° |
| N7B | C8B | N9B | C1E | 178.9° | 180.0° |
| N7B | C8B | N9B | C4B | 0.8° | 0.0° |
| C8B | N7B | C5B | C4B | 0.3° | 0.0° |
| C8B | N7B | C5B | C6B | 179.0° | 179.7° |
| C8B | N9B | C1E | C4B | 177.8° | 180.0° |
| N9B | C8B | N7B | C5B | 0.3° | 0.0° |
| C8B | N9B | C4B | C5B | 1.0° | 0.0° |
| C8B | N9B | C4B | N3B | 179.9° | 180.0° |
| C8B | N9B | C1E | H2 | 108.2° | 144.2° |
| C1E | N9B | C4B | C5B | 179.2° | 180.0° |
| C1E | N9B | C4B | N3B | 1.9° | 0.0° |
| N9B | C1E | C2E | H9 | 7.5° | 37.3° |
| C1E | N9B | C8B | H30 | 1.1° | 0.0° |
| N7B | C5B | C4B | N9B | 0.9° | 0.0° |
| N7B | C5B | C4B | C6B | 179.4° | 179.8° |
| N7B | C5B | C4B | N3B | 179.9° | 180.0° |
| N7B | C5B | C6B | O6B | 0.8° | 0.3° |
| N7B | C5B | C6B | N1B | 179.7° | 179.8° |
| C5B | N7B | C8B | H30 | 179.7° | 180.0° |
| N9B | C4B | C5B | N3B | 179.0° | 180.0° |
| N9B | C4B | C5B | C6B | 178.6° | 179.8° |
| N9B | C4B | N3B | C2B | 178.6° | 180.0° |
| C4B | N9B | C1E | H2 | 69.5° | 35.8° |
| C4B | N9B | C8B | H30 | 179.2° | 180.0° |
| C4B | C5B | C6B | O6B | 179.9° | 180.0° |
| C4B | C5B | C6B | N1B | 1.1° | 0.5° |
| C5B | C4B | N3B | C2B | 0.2° | 0.0° |
| C6B | C5B | C4B | N3B | 0.5° | 0.2° |
| C5B | C6B | O6B | N1B | 178.9° | 179.5° |
| C5B | C6B | N1B | C2B | 1.5° | 0.4° |
| C5B | C6B | N1B | H4 | 178.5° | 179.8° |
| C4B | N3B | C2B | N1B | 0.6° | 0.1° |
| C4B | N3B | C2B | N2B | 179.9° | 180.0° |
| C4D | C3D | C2D | H17 | 118.2° | 118.7° |
| C3D | C4D | C5D | O5D | 70.5° | 175.0° |
| C3D | C4D | C5D | O4D | 118.6° | 117.8° |
| C3D | C4D | C5D | H23 | 119.2° | 121.1° |
| C3D | C4D | O4D | H23 | 117.0° | 119.4° |
| C4D | C3D | C2D | O2D | 78.5° | 139.1° |
| C4D | C3D | C2D | C1D | 39.5° | 20.9° |
| C3D | C4D | O4D | C1D | 10.3° | 26.5° |
| C4D | C3D | C2D | H8 | 158.4° | 97.4° |
| C4D | C3D | O3D | H21 | 180.0° | 180.0° |
| C3D | C4D | C5D | H25 | 49.2° | 55.0° |
| C3D | C4D | C5D | H26 | 169.9° | 65.0° |
| C2D | C3D | C4D | C5D | 154.3° | 121.4° |
| C2D | C3D | C4D | O4D | 31.0° | 2.0° |
| C3D | C2D | O2D | C1D | 112.4° | 112.7° |
| C3D | C2D | O2D | H8 | 122.2° | 123.7° |
| C3D | C2D | C1D | H8 | 119.1° | 118.3° |
| C3D | C2D | C1D | O4D | 34.2° | 37.1° |
| C3D | C2D | C1D | N9A | 87.7° | 155.7° |
| C3D | C2D | C1D | H1 | 151.0° | 81.5° |
| C3D | C2D | O2D | H14 | 180.0° | 67.3° |
| C2D | C3D | O3D | H21 | 69.5° | 65.2° |
| C2D | C3D | C4D | H23 | 86.6° | 117.4° |
| O6B | C6B | N1B | C2B | 179.6° | 180.0° |
| O6B | C6B | N1B | H4 | 0.4° | 0.2° |
| C6B | N1B | C2B | N3B | 1.3° | 0.2° |
| C6B | N1B | C2B | H4 | 180.0° | 179.8° |
| C6B | N1B | C2B | N2B | 179.4° | 179.7° |
| N3B | C2B | N1B | N2B | 179.3° | 179.9° |
| N3B | C2B | N1B | H4 | 178.7° | 180.0° |
| N3B | C2B | N2B | H12 | 0.0° | 180.0° |
| N3B | C2B | N2B | H13 | 180.0° | 0.0° |
| O5D | C5D | C4D | H25 | 119.6° | 120.0° |
| O5D | C5D | C4D | H26 | 119.6° | 120.0° |
| O5D | C5D | C4D | O4D | 48.2° | 67.2° |
| O5D | C5D | C4D | H23 | 170.3° | 53.9° |
| O5D | C5D | H25 | H26 | 121.0° | 120.1° |
| C5D | C4D | O4D | H23 | 121.5° | 121.2° |
| C5D | C4D | O4D | C1D | 131.8° | 145.9° |
| C5D | C4D | C3D | H17 | 36.0° | 2.8° |
| C4D | C5D | H25 | H26 | 121.1° | 120.0° |
| N1B | C2B | N2B | H12 | 179.3° | 0.0° |
| N1B | C2B | N2B | H13 | 0.7° | 180.0° |
| N2B | C2B | N1B | H4 | 0.6° | 0.1° |
| C2B | N2B | H12 | H13 | 180.0° | 180.0° |
| C4D | O4D | C1D | C2D | 14.7° | 40.1° |
| C4D | O4D | C1D | N9A | 109.2° | 158.6° |
| C4D | O4D | C1D | H1 | 130.6° | 78.5° |
| O4D | C4D | C3D | H17 | 87.4° | 116.6° |
| O4D | C4D | C5D | H25 | 167.8° | 172.8° |
| O4D | C4D | C5D | H26 | 71.4° | 52.8° |
| O2D | C2D | C1D | H8 | 126.4° | 123.6° |
| O2D | C2D | C1D | O4D | 80.3° | 155.2° |
| O2D | C2D | C1D | N9A | 157.8° | 86.1° |
| O2D | C2D | C1D | H1 | 36.5° | 36.7° |
| O2D | C2D | C3D | H17 | 163.2° | 102.3° |
| C2D | C1D | N9A | C8A | 104.7° | 92.9° |
| C2D | C1D | O4D | N9A | 123.9° | 118.5° |
| C2D | C1D | O4D | H1 | 115.9° | 118.5° |
| C2D | C1D | N9A | H1 | 121.5° | 122.9° |
| C2D | C1D | N9A | C4A | 77.0° | 87.2° |
| C1D | C2D | O2D | H14 | 67.6° | 180.0° |
| C1D | C2D | C3D | H17 | 78.7° | 139.6° |
| N7A | C8A | N9A | H29 | 180.0° | 180.0° |
| N7A | C8A | N9A | C1D | 180.0° | 180.0° |
| N7A | C8A | N9A | C4A | 1.5° | 0.1° |
| C8A | N7A | C5A | C4A | 0.5° | 0.0° |
| C8A | N7A | C5A | C6A | 179.8° | 179.7° |
| N9A | C8A | N7A | C5A | 1.2° | 0.1° |
| C8A | N9A | C1D | O4D | 12.5° | 21.3° |
| C8A | N9A | C1D | C4A | 178.4° | 179.9° |
| C8A | N9A | C4A | C5A | 1.2° | 0.0° |
| C8A | N9A | C4A | N3A | 179.5° | 180.0° |
| C8A | N9A | C1D | H1 | 133.8° | 144.3° |
| N7A | C5A | C4A | N9A | 0.4° | 0.0° |
| N7A | C5A | C4A | C6A | 179.4° | 179.7° |
| N7A | C5A | C4A | N3A | 178.9° | 180.0° |
| N7A | C5A | C6A | O6A | 0.9° | 0.4° |
| N7A | C5A | C6A | N1A | 179.1° | 179.9° |
| C5A | N7A | C8A | H29 | 178.8° | 180.0° |
| O4D | C1D | N9A | H1 | 121.3° | 122.9° |
| O4D | C1D | N9A | C4A | 165.9° | 158.6° |
| O4D | C1D | C2D | H8 | 153.3° | 81.2° |
| C1D | O4D | C4D | H23 | 106.8° | 92.9° |
| C1D | N9A | C4A | C5A | 180.0° | 180.0° |
| C1D | N9A | C4A | N3A | 1.7° | 0.0° |
| N9A | C1D | C2D | H8 | 31.4° | 37.4° |
| C1D | N9A | C8A | H29 | 0.0° | 0.0° |
| N9A | C4A | C5A | N3A | 178.5° | 180.0° |
| N9A | C4A | C5A | C6A | 179.0° | 179.7° |
| N9A | C4A | N3A | C2A | 178.0° | 180.0° |
| C4A | N9A | C1D | H1 | 44.6° | 35.7° |
| C4A | N9A | C8A | H29 | 178.5° | 180.0° |
| C4A | C5A | C6A | O6A | 179.8° | 180.0° |
| C4A | C5A | C6A | N1A | 0.1° | 0.5° |
| C5A | C4A | N3A | C2A | 0.2° | 0.0° |
| C6A | C5A | C4A | N3A | 0.5° | 0.3° |
| C5A | C6A | O6A | N1A | 180.0° | 179.5° |
| C5A | C6A | N1A | C2A | 0.8° | 0.5° |
| C5A | C6A | N1A | H3 | 179.2° | 179.8° |
| C4A | N3A | C2A | N1A | 1.1° | 0.0° |
| C4A | N3A | C2A | N2A | 179.8° | 180.0° |
| O6A | C6A | N1A | C2A | 179.2° | 180.0° |
| O6A | C6A | N1A | H3 | 0.8° | 0.3° |
| C6A | N1A | C2A | N3A | 1.4° | 0.3° |
| C6A | N1A | C2A | H3 | 180.0° | 179.7° |
| C6A | N1A | C2A | N2A | 179.5° | 179.7° |
| N3A | C2A | N1A | N2A | 179.1° | 180.0° |
| N3A | C2A | N1A | H3 | 178.6° | 180.0° |
| N3A | C2A | N2A | H10 | 0.0° | 180.0° |
| N3A | C2A | N2A | H11 | 180.0° | 0.0° |
| N1A | C2A | N2A | H10 | 179.1° | 0.0° |
| N1A | C2A | N2A | H11 | 0.9° | 180.0° |
| N2A | C2A | N1A | H3 | 0.5° | 0.0° |
| C2A | N2A | H10 | H11 | 180.0° | 180.0° |
| H1 | C1D | C2D | H8 | 89.9° | 160.3° |
| H2 | C1E | C2E | H9 | 115.9° | 160.2° |
| H7 | C2C | C3C | H16 | 0.1° | 0.2° |
| H8 | C2D | O2D | H14 | 57.8° | 56.4° |
| H8 | C2D | C3D | H17 | 40.1° | 21.3° |
| H9 | C2E | O2E | H15 | 61.0° | 56.3° |
| H9 | C2E | C3E | H18 | 18.2° | 21.3° |
| H17 | C3D | O3D | H21 | 56.0° | 57.3° |
| H17 | C3D | C4D | H23 | 155.0° | 124.0° |
| H18 | C3E | O3E | H22 | 57.7° | 57.4° |
| H18 | C3E | C4E | H24 | 147.9° | 124.1° |
| H23 | C4D | C5D | H25 | 70.1° | 66.1° |
| H23 | C4D | C5D | H26 | 50.7° | 173.9° |
| H24 | C4E | C5E | H27 | 75.3° | 66.1° |
| H24 | C4E | C5E | H28 | 45.6° | 173.9° |
