A22
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P2D | O2D | sing | 1.62Å | 1.66Å | |
| P2D | O13 | doub | 1.50Å | 1.47Å | |
| P2D | O12 | sing | 1.62Å | 1.62Å | |
| P2D | O11 | sing | 1.62Å | 1.61Å | |
| O11 | H1PA | sing | 0.98Å | 0.95Å | |
| O12 | H2PA | sing | 0.98Å | 0.95Å | |
| P1A | O18 | sing | 1.62Å | 1.62Å | |
| P1A | O15 | doub | 1.50Å | 1.49Å | |
| P1A | O5D | sing | 1.62Å | 1.61Å | |
| P1A | O14 | sing | 1.62Å | 1.49Å | |
| O14 | H5PA | sing | 0.98Å | 0.95Å | |
| O5D | C5D | sing | 1.42Å | 1.46Å | |
| C5D | C4D | sing | 1.52Å | 1.55Å | |
| C5D | HD1 | sing | 1.09Å | 1.10Å | |
| C5D | HD2 | sing | 1.09Å | 1.10Å | |
| C4D | O4D | sing | 1.45Å | 1.46Å | |
| C4D | C3D | sing | 1.53Å | 1.54Å | |
| C4D | H4D | sing | 1.09Å | 1.10Å | |
| O4D | C1D | sing | 1.44Å | 1.46Å | |
| C3D | C2D | sing | 1.52Å | 1.54Å | |
| C3D | O3D | sing | 1.43Å | 1.43Å | |
| C3D | H3CA | sing | 1.09Å | 1.10Å | |
| O3D | H3OA | sing | 0.97Å | 0.95Å | |
| C2D | C1D | sing | 1.52Å | 1.52Å | |
| C2D | O2D | sing | 1.41Å | 1.47Å | |
| C2D | H2D | sing | 1.10Å | 1.10Å | |
| C1D | N9A | sing | 1.46Å | 1.51Å | |
| C1D | H1D | sing | 1.10Å | 1.10Å | |
| N9A | C8A | sing | 1.37Å | 1.34Å | Aromatic |
| N9A | C4A | sing | 1.37Å | 1.32Å | Aromatic |
| C8A | N7A | doub | 1.32Å | 1.34Å | Aromatic |
| C8A | H8A | sing | 1.08Å | 1.08Å | |
| N7A | C5A | sing | 1.37Å | 1.35Å | Aromatic |
| C5A | C6A | sing | 1.39Å | 1.40Å | Aromatic |
| C5A | C4A | doub | 1.39Å | 1.39Å | Aromatic |
| C6A | N6A | sing | 1.41Å | 1.34Å | |
| C6A | N1A | doub | 1.35Å | 1.35Å | Aromatic |
| N6A | H6A1 | sing | 1.00Å | 1.00Å | |
| N6A | H6A2 | sing | 1.00Å | 1.00Å | |
| N1A | C2A | sing | 1.36Å | 1.32Å | Aromatic |
| C2A | N3A | doub | 1.35Å | 1.32Å | Aromatic |
| C2A | H2A | sing | 1.08Å | 1.08Å | |
| N3A | C4A | sing | 1.34Å | 1.35Å | Aromatic |
| P1B | O5E | sing | 1.62Å | 1.64Å | |
| P1B | O18 | sing | 1.62Å | 1.62Å | |
| P1B | O17 | doub | 1.50Å | 1.48Å | |
| P1B | O16 | sing | 1.62Å | 1.48Å | |
| O16 | H1PB | sing | 0.98Å | 0.95Å | |
| O5E | C5E | sing | 1.42Å | 1.41Å | |
| C5E | C4E | sing | 1.52Å | 1.53Å | |
| C5E | HE1 | sing | 1.09Å | 1.10Å | |
| C5E | HE2 | sing | 1.09Å | 1.10Å | |
| C4E | C3E | sing | 1.52Å | 1.53Å | |
| C4E | O4E | sing | 1.44Å | 1.47Å | |
| C4E | H4E | sing | 1.10Å | 1.10Å | |
| O4E | C1E | sing | 1.44Å | 1.47Å | |
| C3E | C2E | sing | 1.52Å | 1.54Å | |
| C3E | O3E | sing | 1.41Å | 1.45Å | |
| C3E | H3CB | sing | 1.10Å | 1.10Å | |
| O3E | H3OB | sing | 0.97Å | 0.95Å | |
| C2E | O2E | sing | 1.43Å | 1.44Å | |
| C2E | C1E | sing | 1.53Å | 1.55Å | |
| C2E | H2CB | sing | 1.09Å | 1.10Å | |
| O2E | H2OB | sing | 0.97Å | 0.95Å | |
| C1E | N9B | sing | 1.46Å | 1.53Å | |
| C1E | H1E | sing | 1.09Å | 1.10Å | |
| N9B | C8B | sing | 1.37Å | 1.34Å | Aromatic |
| N9B | C4B | sing | 1.37Å | 1.33Å | Aromatic |
| C8B | N7B | doub | 1.32Å | 1.34Å | Aromatic |
| C8B | H8B | sing | 1.08Å | 1.08Å | |
| N7B | C5B | sing | 1.37Å | 1.33Å | Aromatic |
| C5B | C6B | doub | 1.39Å | 1.41Å | Aromatic |
| C5B | C4B | sing | 1.39Å | 1.39Å | Aromatic |
| C6B | N6B | sing | 1.40Å | 1.34Å | |
| C6B | N1B | sing | 1.35Å | 1.34Å | Aromatic |
| N6B | H6B1 | sing | 1.00Å | 1.00Å | |
| N6B | H6B2 | sing | 1.00Å | 1.00Å | |
| N1B | C2B | doub | 1.35Å | 1.33Å | Aromatic |
| C2B | N3B | sing | 1.35Å | 1.31Å | Aromatic |
| C2B | H2B | sing | 1.08Å | 1.08Å | |
| N3B | C4B | doub | 1.34Å | 1.34Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2D | P2D | O13 | 115.3° | 114.8° |
| O2D | P2D | O12 | 103.6° | 103.1° |
| O2D | P2D | O11 | 106.4° | 103.7° |
| P2D | O2D | C2D | 121.7° | 118.6° |
| O13 | P2D | O12 | 112.2° | 115.0° |
| O13 | P2D | O11 | 111.2° | 115.3° |
| O12 | P2D | O11 | 107.5° | 103.3° |
| P2D | O12 | H2PA | 109.5° | 118.9° |
| P2D | O11 | H1PA | 109.5° | 118.9° |
| O18 | P1A | O15 | 106.0° | 114.6° |
| O18 | P1A | O5D | 105.1° | 103.0° |
| O18 | P1A | O14 | 107.9° | 103.0° |
| P1A | O18 | P1B | 125.4° | 131.1° |
| O15 | P1A | O5D | 108.2° | 115.7° |
| O15 | P1A | O14 | 119.1° | 114.9° |
| O5D | P1A | O14 | 109.6° | 103.9° |
| P1A | O5D | C5D | 119.6° | 118.5° |
| P1A | O14 | H5PA | 109.5° | 119.0° |
| O5D | C5D | C4D | 113.2° | 109.0° |
| O5D | C5D | HD1 | 108.2° | 108.8° |
| O5D | C5D | HD2 | 107.4° | 108.7° |
| C4D | C5D | HD1 | 108.2° | 110.6° |
| C4D | C5D | HD2 | 107.4° | 110.5° |
| C5D | C4D | O4D | 109.1° | 108.4° |
| C5D | C4D | C3D | 113.4° | 112.9° |
| C5D | C4D | H4D | 105.9° | 109.3° |
| HD1 | C5D | HD2 | 112.4° | 109.2° |
| O4D | C4D | C3D | 105.6° | 106.4° |
| O4D | C4D | H4D | 113.7° | 107.6° |
| C4D | O4D | C1D | 106.8° | 108.8° |
| C3D | C4D | H4D | 109.4° | 112.0° |
| C4D | C3D | C2D | 104.4° | 102.3° |
| C4D | C3D | O3D | 107.8° | 108.8° |
| C4D | C3D | H3CA | 114.3° | 114.5° |
| O4D | C1D | C2D | 103.6° | 106.2° |
| O4D | C1D | N9A | 107.6° | 109.7° |
| O4D | C1D | H1D | 118.4° | 108.9° |
| C2D | C3D | O3D | 111.0° | 109.5° |
| C2D | C3D | H3CA | 111.3° | 113.8° |
| C3D | C2D | C1D | 98.8° | 101.4° |
| C3D | C2D | O2D | 112.3° | 113.0° |
| C3D | C2D | H2D | 115.6° | 110.3° |
| O3D | C3D | H3CA | 108.0° | 107.8° |
| C3D | O3D | H3OA | 109.5° | 106.4° |
| C1D | C2D | O2D | 112.5° | 111.9° |
| C1D | C2D | H2D | 115.5° | 111.1° |
| C2D | C1D | N9A | 119.3° | 114.0° |
| C2D | C1D | H1D | 106.5° | 112.6° |
| O2D | C2D | H2D | 102.7° | 109.0° |
| N9A | C1D | H1D | 102.4° | 105.3° |
| C1D | N9A | C8A | 130.2° | 126.1° |
| C1D | N9A | C4A | 121.4° | 126.9° |
| C8A | N9A | C4A | 108.3° | 107.0° |
| N9A | C8A | N7A | 109.4° | 112.2° |
| N9A | C8A | H8A | 125.3° | 122.2° |
| N9A | C4A | C5A | 107.7° | 105.2° |
| N9A | C4A | N3A | 131.0° | 127.5° |
| N7A | C8A | H8A | 125.3° | 125.6° |
| C8A | N7A | C5A | 107.7° | 104.9° |
| N7A | C5A | C6A | 135.7° | 132.5° |
| N7A | C5A | C4A | 106.9° | 110.7° |
| C6A | C5A | C4A | 117.4° | 116.8° |
| C5A | C6A | N6A | 122.6° | 120.7° |
| C5A | C6A | N1A | 117.7° | 119.2° |
| C5A | C4A | N3A | 121.2° | 127.2° |
| N6A | C6A | N1A | 119.7° | 120.1° |
| C6A | N6A | H6A1 | 109.5° | 119.5° |
| C6A | N6A | H6A2 | 109.5° | 119.4° |
| C6A | N1A | C2A | 122.5° | 117.4° |
| H6A1 | N6A | H6A2 | 109.5° | 120.8° |
| N1A | C2A | N3A | 121.9° | 128.8° |
| N1A | C2A | H2A | 119.0° | 115.5° |
| N3A | C2A | H2A | 119.0° | 115.7° |
| C2A | N3A | C4A | 119.2° | 110.5° |
| O5E | P1B | O18 | 101.8° | 104.6° |
| O5E | P1B | O17 | 106.9° | 114.8° |
| O5E | P1B | O16 | 108.6° | 104.5° |
| P1B | O5E | C5E | 121.2° | 120.0° |
| O18 | P1B | O17 | 107.9° | 114.1° |
| O18 | P1B | O16 | 109.8° | 103.2° |
| O17 | P1B | O16 | 120.3° | 114.3° |
| P1B | O16 | H1PB | 109.5° | 118.9° |
| O5E | C5E | C4E | 109.8° | 109.0° |
| O5E | C5E | HE1 | 109.3° | 108.8° |
| O5E | C5E | HE2 | 109.3° | 108.8° |
| C4E | C5E | HE1 | 109.4° | 110.5° |
| C4E | C5E | HE2 | 109.3° | 110.5° |
| C5E | C4E | C3E | 102.5° | 113.5° |
| C5E | C4E | O4E | 112.0° | 109.8° |
| C5E | C4E | H4E | 111.1° | 108.7° |
| HE1 | C5E | HE2 | 109.7° | 109.2° |
| C3E | C4E | O4E | 105.5° | 105.2° |
| C3E | C4E | H4E | 117.1° | 111.3° |
| C4E | C3E | C2E | 102.6° | 102.3° |
| C4E | C3E | O3E | 109.8° | 112.1° |
| C4E | C3E | H3CB | 114.8° | 110.2° |
| O4E | C4E | H4E | 108.5° | 108.3° |
| C4E | O4E | C1E | 107.4° | 108.4° |
| O4E | C1E | C2E | 106.2° | 107.6° |
| O4E | C1E | N9B | 108.6° | 109.5° |
| O4E | C1E | H1E | 114.8° | 108.3° |
| C2E | C3E | O3E | 112.6° | 113.5° |
| C2E | C3E | H3CB | 112.1° | 109.5° |
| C3E | C2E | O2E | 107.2° | 111.2° |
| C3E | C2E | C1E | 105.8° | 102.8° |
| C3E | C2E | H2CB | 113.9° | 112.6° |
| O3E | C3E | H3CB | 105.2° | 109.0° |
| C3E | O3E | H3OB | 109.5° | 106.4° |
| O2E | C2E | C1E | 111.2° | 109.3° |
| O2E | C2E | H2CB | 108.7° | 107.0° |
| C2E | O2E | H2OB | 109.5° | 107.3° |
| C1E | C2E | H2CB | 110.0° | 114.0° |
| C2E | C1E | N9B | 116.4° | 113.6° |
| C2E | C1E | H1E | 106.8° | 112.5° |
| N9B | C1E | H1E | 104.4° | 105.2° |
| C1E | N9B | C8B | 126.7° | 126.2° |
| C1E | N9B | C4B | 126.2° | 126.9° |
| C8B | N9B | C4B | 107.2° | 106.9° |
| N9B | C8B | N7B | 109.6° | 112.2° |
| N9B | C8B | H8B | 125.2° | 122.1° |
| N9B | C4B | C5B | 108.3° | 105.2° |
| N9B | C4B | N3B | 132.4° | 127.5° |
| N7B | C8B | H8B | 125.2° | 125.7° |
| C8B | N7B | C5B | 108.3° | 104.9° |
| N7B | C5B | C6B | 134.6° | 132.4° |
| N7B | C5B | C4B | 106.5° | 110.7° |
| C6B | C5B | C4B | 118.9° | 116.9° |
| C5B | C6B | N6B | 123.0° | 120.7° |
| C5B | C6B | N1B | 118.0° | 119.1° |
| C5B | C4B | N3B | 119.3° | 127.3° |
| N6B | C6B | N1B | 119.0° | 120.2° |
| C6B | N6B | H6B1 | 109.5° | 119.5° |
| C6B | N6B | H6B2 | 109.4° | 119.4° |
| C6B | N1B | C2B | 121.0° | 117.6° |
| H6B1 | N6B | H6B2 | 109.4° | 120.8° |
| N1B | C2B | N3B | 122.6° | 128.8° |
| N1B | C2B | H2B | 118.7° | 115.6° |
| N3B | C2B | H2B | 118.7° | 115.6° |
| C2B | N3B | C4B | 120.2° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2D | P2D | O13 | O12 | 118.3° | 119.4° |
| O2D | P2D | O13 | O11 | 121.2° | 120.6° |
| O2D | P2D | O12 | O11 | 112.4° | 107.8° |
| O2D | P2D | O11 | H1PA | 119.0° | 175.2° |
| O2D | P2D | O12 | H2PA | 37.1° | 173.7° |
| P2D | O2D | C2D | C3D | 71.5° | 60.1° |
| P2D | O2D | C2D | C1D | 178.1° | 173.9° |
| P2D | O2D | C2D | H2D | 53.3° | 62.9° |
| O13 | P2D | O12 | O11 | 122.6° | 126.5° |
| O13 | P2D | O11 | H1PA | 114.7° | 48.8° |
| O13 | P2D | O12 | H2PA | 87.9° | 48.0° |
| O13 | P2D | O2D | C2D | 48.8° | 60.1° |
| O12 | P2D | O11 | H1PA | 8.5° | 77.5° |
| O12 | P2D | O2D | C2D | 74.3° | 174.1° |
| O11 | P2D | O12 | H2PA | 149.5° | 78.5° |
| O11 | P2D | O2D | C2D | 172.5° | 66.7° |
| O18 | P1A | O15 | O5D | 112.3° | 119.7° |
| O18 | P1A | O15 | O14 | 121.7° | 119.0° |
| O18 | P1A | O5D | O14 | 115.7° | 107.2° |
| O18 | P1A | O14 | H5PA | 130.4° | 173.8° |
| O18 | P1A | O5D | C5D | 155.0° | 54.2° |
| P1A | O18 | P1B | O5E | 116.6° | 173.7° |
| P1A | O18 | P1B | O17 | 131.1° | 60.0° |
| P1A | O18 | P1B | O16 | 1.7° | 64.7° |
| O15 | P1A | O5D | O14 | 131.4° | 127.0° |
| O15 | P1A | O14 | H5PA | 108.9° | 48.5° |
| O15 | P1A | O5D | C5D | 42.1° | 180.0° |
| O15 | P1A | O18 | P1B | 165.8° | 60.0° |
| O5D | P1A | O14 | H5PA | 16.4° | 79.0° |
| P1A | O5D | C5D | C4D | 137.4° | 180.0° |
| P1A | O5D | C5D | HD1 | 17.4° | 59.4° |
| P1A | O5D | C5D | HD2 | 104.2° | 59.4° |
| O5D | P1A | O18 | P1B | 51.3° | 173.4° |
| O14 | P1A | O5D | C5D | 89.3° | 53.0° |
| O14 | P1A | O18 | P1B | 65.6° | 65.6° |
| O5D | C5D | C4D | HD1 | 120.0° | 119.5° |
| O5D | C5D | C4D | HD2 | 118.4° | 119.5° |
| O5D | C5D | HD1 | HD2 | 118.4° | 118.5° |
| O5D | C5D | C4D | O4D | 59.3° | 61.9° |
| O5D | C5D | C4D | C3D | 58.0° | 179.5° |
| O5D | C5D | C4D | H4D | 178.0° | 55.1° |
| C4D | C5D | HD1 | HD2 | 118.5° | 121.8° |
| C5D | C4D | O4D | C3D | 122.2° | 121.7° |
| C5D | C4D | O4D | H4D | 117.9° | 118.0° |
| C5D | C4D | C3D | H4D | 117.9° | 123.9° |
| C5D | C4D | O4D | C1D | 138.2° | 114.2° |
| C5D | C4D | C3D | C2D | 106.5° | 90.1° |
| C5D | C4D | C3D | O3D | 135.4° | 154.1° |
| C5D | C4D | C3D | H3CA | 15.3° | 33.5° |
| HD1 | C5D | C4D | O4D | 179.3° | 57.6° |
| HD1 | C5D | C4D | C3D | 62.0° | 60.0° |
| HD1 | C5D | C4D | H4D | 58.0° | 174.6° |
| HD2 | C5D | C4D | O4D | 59.0° | 178.6° |
| HD2 | C5D | C4D | C3D | 176.4° | 61.0° |
| HD2 | C5D | C4D | H4D | 63.7° | 64.4° |
| O4D | C4D | C3D | H4D | 122.7° | 117.3° |
| O4D | C4D | C3D | C2D | 12.9° | 28.6° |
| O4D | C4D | C3D | O3D | 105.2° | 87.1° |
| O4D | C4D | C3D | H3CA | 134.6° | 152.3° |
| C4D | O4D | C1D | C2D | 39.4° | 16.9° |
| C4D | O4D | C1D | N9A | 166.6° | 140.6° |
| C4D | O4D | C1D | H1D | 78.1° | 104.6° |
| C3D | C4D | O4D | C1D | 16.0° | 7.5° |
| C4D | C3D | C2D | O3D | 115.9° | 115.3° |
| C4D | C3D | C2D | H3CA | 123.7° | 124.1° |
| C4D | C3D | O3D | H3CA | 124.0° | 124.6° |
| C4D | C3D | O3D | H3OA | 28.7° | 150.1° |
| C4D | C3D | C2D | C1D | 34.8° | 37.4° |
| C4D | C3D | C2D | O2D | 153.6° | 157.4° |
| C4D | C3D | C2D | H2D | 89.0° | 80.3° |
| H4D | C4D | O4D | C1D | 103.9° | 127.7° |
| H4D | C4D | C3D | C2D | 135.5° | 146.0° |
| H4D | C4D | C3D | O3D | 17.5° | 30.2° |
| H4D | C4D | C3D | H3CA | 102.7° | 90.4° |
| O4D | C1D | C2D | C3D | 45.2° | 34.2° |
| O4D | C1D | C2D | N9A | 119.4° | 120.9° |
| O4D | C1D | C2D | H1D | 125.6° | 119.1° |
| O4D | C1D | C2D | O2D | 163.9° | 155.0° |
| O4D | C1D | C2D | H2D | 78.6° | 83.0° |
| O4D | C1D | N9A | H1D | 125.5° | 117.1° |
| O4D | C1D | N9A | C8A | 76.3° | 147.1° |
| O4D | C1D | N9A | C4A | 101.8° | 33.0° |
| C2D | C3D | O3D | H3CA | 122.3° | 124.3° |
| C2D | C3D | O3D | H3OA | 85.0° | 39.0° |
| C3D | C2D | C1D | O2D | 118.7° | 120.8° |
| C3D | C2D | C1D | H2D | 123.9° | 117.2° |
| C3D | C2D | O2D | H2D | 124.8° | 123.0° |
| C3D | C2D | C1D | N9A | 164.7° | 155.2° |
| C3D | C2D | C1D | H1D | 80.4° | 84.9° |
| O3D | C3D | C2D | C1D | 81.1° | 77.8° |
| O3D | C3D | C2D | O2D | 37.7° | 42.2° |
| O3D | C3D | C2D | H2D | 155.1° | 164.4° |
| H3CA | C3D | O3D | H3OA | 152.7° | 85.3° |
| H3CA | C3D | C2D | C1D | 158.5° | 161.5° |
| H3CA | C3D | C2D | O2D | 82.7° | 78.5° |
| H3CA | C3D | C2D | H2D | 34.7° | 43.7° |
| C1D | C2D | O2D | H2D | 124.8° | 123.2° |
| C2D | C1D | N9A | H1D | 117.1° | 124.0° |
| C2D | C1D | N9A | C8A | 41.1° | 94.0° |
| C2D | C1D | N9A | C4A | 140.8° | 86.0° |
| O2D | C2D | C1D | N9A | 76.6° | 84.1° |
| O2D | C2D | C1D | H1D | 38.3° | 35.8° |
| H2D | C2D | C1D | N9A | 40.8° | 38.0° |
| H2D | C2D | C1D | H1D | 155.8° | 157.9° |
| C1D | N9A | C8A | C4A | 178.3° | 179.9° |
| C1D | N9A | C8A | N7A | 179.5° | 180.0° |
| C1D | N9A | C8A | H8A | 0.5° | 0.1° |
| C1D | N9A | C4A | C5A | 179.7° | 180.0° |
| C1D | N9A | C4A | N3A | 1.9° | 0.1° |
| H1D | C1D | N9A | C8A | 158.3° | 30.0° |
| H1D | C1D | N9A | C4A | 23.7° | 150.1° |
| N9A | C8A | N7A | H8A | 180.0° | 179.9° |
| N9A | C8A | N7A | C5A | 1.7° | 0.0° |
| C8A | N9A | C4A | C5A | 1.9° | 0.0° |
| C8A | N9A | C4A | N3A | 179.7° | 179.9° |
| C4A | N9A | C8A | N7A | 2.2° | 0.0° |
| C4A | N9A | C8A | H8A | 177.8° | 180.0° |
| N9A | C4A | C5A | N7A | 0.8° | 0.0° |
| N9A | C4A | C5A | C6A | 179.8° | 180.0° |
| N9A | C4A | C5A | N3A | 178.1° | 179.9° |
| N9A | C4A | N3A | C2A | 178.7° | 180.0° |
| C8A | N7A | C5A | C6A | 178.7° | 180.0° |
| C8A | N7A | C5A | C4A | 0.5° | 0.0° |
| H8A | C8A | N7A | C5A | 178.3° | 179.9° |
| N7A | C5A | C6A | C4A | 179.1° | 180.0° |
| N7A | C5A | C6A | N6A | 0.0° | 0.0° |
| N7A | C5A | C6A | N1A | 179.5° | 180.0° |
| N7A | C5A | C4A | N3A | 178.9° | 179.9° |
| C5A | C6A | N6A | N1A | 179.4° | 180.0° |
| C5A | C6A | N6A | H6A1 | 85.3° | 104.8° |
| C5A | C6A | N6A | H6A2 | 154.7° | 68.9° |
| C5A | C6A | N1A | C2A | 1.7° | 0.0° |
| C6A | C5A | C4A | N3A | 1.7° | 0.1° |
| C4A | C5A | C6A | N6A | 179.1° | 180.0° |
| C4A | C5A | C6A | N1A | 0.3° | 0.1° |
| C5A | C4A | N3A | C2A | 1.2° | 0.1° |
| C6A | N6A | H6A1 | H6A2 | 120.0° | 173.6° |
| N6A | C6A | N1A | C2A | 178.9° | 180.0° |
| N1A | C6A | N6A | H6A1 | 95.3° | 75.1° |
| N1A | C6A | N6A | H6A2 | 24.7° | 111.1° |
| C6A | N1A | C2A | N3A | 2.3° | 0.0° |
| C6A | N1A | C2A | H2A | 177.6° | 179.9° |
| N1A | C2A | N3A | H2A | 180.0° | 179.9° |
| N1A | C2A | N3A | C4A | 0.8° | 0.0° |
| H2A | C2A | N3A | C4A | 179.1° | 179.9° |
| O5E | P1B | O18 | O17 | 112.3° | 126.3° |
| O5E | P1B | O18 | O16 | 114.9° | 109.0° |
| O5E | P1B | O17 | O16 | 124.3° | 120.7° |
| O5E | P1B | O16 | H1PB | 20.2° | 80.1° |
| P1B | O5E | C5E | C4E | 106.3° | 150.0° |
| P1B | O5E | C5E | HE1 | 133.7° | 29.4° |
| P1B | O5E | C5E | HE2 | 13.6° | 89.4° |
| O18 | P1B | O17 | O16 | 126.9° | 118.5° |
| O18 | P1B | O16 | H1PB | 90.3° | 170.8° |
| O18 | P1B | O5E | C5E | 9.8° | 54.1° |
| O17 | P1B | O16 | H1PB | 143.7° | 46.2° |
| O17 | P1B | O5E | C5E | 122.9° | 180.0° |
| O16 | P1B | O5E | C5E | 106.0° | 54.0° |
| O5E | C5E | C4E | HE1 | 120.0° | 119.5° |
| O5E | C5E | C4E | HE2 | 119.9° | 119.5° |
| O5E | C5E | HE1 | HE2 | 119.9° | 118.6° |
| O5E | C5E | C4E | C3E | 117.4° | 60.5° |
| O5E | C5E | C4E | O4E | 130.1° | 177.9° |
| O5E | C5E | C4E | H4E | 8.5° | 63.9° |
| C4E | C5E | HE1 | HE2 | 119.9° | 121.8° |
| C5E | C4E | C3E | O4E | 117.4° | 120.0° |
| C5E | C4E | C3E | H4E | 121.9° | 122.9° |
| C5E | C4E | O4E | H4E | 123.0° | 118.5° |
| C5E | C4E | O4E | C1E | 144.5° | 148.9° |
| C5E | C4E | C3E | C2E | 152.2° | 157.1° |
| C5E | C4E | C3E | O3E | 87.9° | 80.9° |
| C5E | C4E | C3E | H3CB | 30.4° | 40.7° |
| HE1 | C5E | C4E | C3E | 2.6° | 180.0° |
| HE1 | C5E | C4E | O4E | 109.9° | 62.6° |
| HE1 | C5E | C4E | H4E | 128.5° | 55.7° |
| HE2 | C5E | C4E | C3E | 122.8° | 59.0° |
| HE2 | C5E | C4E | O4E | 10.2° | 58.4° |
| HE2 | C5E | C4E | H4E | 111.3° | 176.6° |
| C3E | C4E | O4E | H4E | 126.2° | 119.0° |
| C3E | C4E | O4E | C1E | 33.8° | 26.4° |
| C4E | C3E | C2E | O3E | 118.0° | 121.0° |
| C4E | C3E | C2E | H3CB | 123.6° | 116.9° |
| C4E | C3E | O3E | H3CB | 124.0° | 122.3° |
| C4E | C3E | O3E | H3OB | 1.5° | 50.1° |
| C4E | C3E | C2E | O2E | 95.5° | 84.0° |
| C4E | C3E | C2E | C1E | 23.2° | 32.8° |
| C4E | C3E | C2E | H2CB | 144.2° | 156.0° |
| O4E | C4E | C3E | C2E | 34.8° | 37.1° |
| O4E | C4E | C3E | O3E | 154.8° | 159.0° |
| O4E | C4E | C3E | H3CB | 87.0° | 79.4° |
| C4E | O4E | C1E | C2E | 18.3° | 5.0° |
| C4E | O4E | C1E | N9B | 144.2° | 128.9° |
| C4E | O4E | C1E | H1E | 99.5° | 116.8° |
| H4E | C4E | O4E | C1E | 92.4° | 92.6° |
| H4E | C4E | C3E | C2E | 85.9° | 80.0° |
| H4E | C4E | C3E | O3E | 34.0° | 42.0° |
| H4E | C4E | C3E | H3CB | 152.3° | 163.6° |
| O4E | C1E | C2E | C3E | 3.8° | 18.1° |
| O4E | C1E | C2E | O2E | 112.2° | 100.0° |
| O4E | C1E | C2E | N9B | 121.0° | 121.4° |
| O4E | C1E | C2E | H1E | 123.0° | 119.2° |
| O4E | C1E | C2E | H2CB | 127.3° | 140.3° |
| O4E | C1E | N9B | H1E | 122.9° | 116.2° |
| O4E | C1E | N9B | C8B | 51.8° | 33.8° |
| O4E | C1E | N9B | C4B | 127.2° | 146.0° |
| C2E | C3E | O3E | H3CB | 122.3° | 122.4° |
| C2E | C3E | O3E | H3OB | 112.1° | 165.4° |
| C3E | C2E | O2E | C1E | 115.2° | 112.8° |
| C3E | C2E | O2E | H2CB | 123.6° | 123.3° |
| C3E | C2E | C1E | H2CB | 123.5° | 122.2° |
| C3E | C2E | O2E | H2OB | 113.6° | 65.3° |
| C3E | C2E | C1E | N9B | 117.1° | 103.2° |
| C3E | C2E | C1E | H1E | 126.8° | 137.3° |
| O3E | C3E | C2E | O2E | 22.5° | 37.0° |
| O3E | C3E | C2E | C1E | 141.2° | 153.8° |
| O3E | C3E | C2E | H2CB | 97.8° | 83.0° |
| H3CB | C3E | O3E | H3OB | 125.5° | 72.2° |
| H3CB | C3E | C2E | O2E | 140.9° | 159.1° |
| H3CB | C3E | C2E | C1E | 100.4° | 84.1° |
| H3CB | C3E | C2E | H2CB | 20.6° | 39.1° |
| O2E | C2E | C1E | H2CB | 120.5° | 119.6° |
| O2E | C2E | C1E | N9B | 126.9° | 138.6° |
| O2E | C2E | C1E | H1E | 10.8° | 19.2° |
| C1E | C2E | O2E | H2OB | 131.2° | 178.1° |
| C2E | C1E | N9B | H1E | 117.4° | 123.5° |
| C2E | C1E | N9B | C8B | 67.9° | 86.5° |
| C2E | C1E | N9B | C4B | 113.1° | 93.6° |
| H2CB | C2E | O2E | H2OB | 9.9° | 58.0° |
| H2CB | C2E | C1E | N9B | 6.3° | 19.0° |
| H2CB | C2E | C1E | H1E | 109.7° | 100.5° |
| C1E | N9B | C8B | C4B | 179.2° | 179.9° |
| C1E | N9B | C8B | N7B | 179.2° | 179.9° |
| C1E | N9B | C8B | H8B | 0.8° | 0.1° |
| C1E | N9B | C4B | C5B | 179.7° | 179.9° |
| C1E | N9B | C4B | N3B | 1.1° | 0.2° |
| H1E | C1E | N9B | C8B | 174.8° | 150.0° |
| H1E | C1E | N9B | C4B | 4.2° | 29.9° |
| N9B | C8B | N7B | H8B | 180.0° | 180.0° |
| N9B | C8B | N7B | C5B | 0.5° | 0.1° |
| C8B | N9B | C4B | C5B | 0.5° | 0.0° |
| C8B | N9B | C4B | N3B | 179.7° | 180.0° |
| C4B | N9B | C8B | N7B | 0.0° | 0.1° |
| C4B | N9B | C8B | H8B | 180.0° | 180.0° |
| N9B | C4B | C5B | N7B | 0.8° | 0.0° |
| N9B | C4B | C5B | C6B | 179.3° | 180.0° |
| N9B | C4B | C5B | N3B | 179.3° | 179.9° |
| N9B | C4B | N3B | C2B | 178.7° | 179.9° |
| C8B | N7B | C5B | C6B | 179.4° | 180.0° |
| C8B | N7B | C5B | C4B | 0.8° | 0.0° |
| H8B | C8B | N7B | C5B | 179.5° | 180.0° |
| N7B | C5B | C6B | C4B | 179.8° | 179.9° |
| N7B | C5B | C6B | N6B | 0.0° | 0.0° |
| N7B | C5B | C6B | N1B | 179.7° | 179.9° |
| N7B | C5B | C4B | N3B | 179.8° | 179.9° |
| C5B | C6B | N6B | N1B | 179.6° | 180.0° |
| C5B | C6B | N6B | H6B1 | 78.1° | 162.1° |
| C5B | C6B | N6B | H6B2 | 161.9° | 11.7° |
| C5B | C6B | N1B | C2B | 0.7° | 0.0° |
| C6B | C5B | C4B | N3B | 0.0° | 0.0° |
| C4B | C5B | C6B | N6B | 179.8° | 180.0° |
| C4B | C5B | C6B | N1B | 0.1° | 0.0° |
| C5B | C4B | N3B | C2B | 0.4° | 0.0° |
| C6B | N6B | H6B1 | H6B2 | 120.0° | 173.7° |
| N6B | C6B | N1B | C2B | 179.7° | 180.0° |
| N1B | C6B | N6B | H6B1 | 102.3° | 17.8° |
| N1B | C6B | N6B | H6B2 | 17.7° | 168.4° |
| C6B | N1B | C2B | N3B | 1.1° | 0.0° |
| C6B | N1B | C2B | H2B | 178.9° | 179.9° |
| N1B | C2B | N3B | H2B | 180.0° | 179.9° |
| N1B | C2B | N3B | C4B | 1.0° | 0.0° |
| H2B | C2B | N3B | C4B | 179.0° | 179.9° |
