NPW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | P | doub | 1.48Å | 1.49Å | |
| O3 | P | sing | 1.61Å | 1.54Å | |
| P | O2A | sing | 1.61Å | 1.62Å | |
| P | O1 | sing | 1.61Å | 1.51Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O5E | PA | sing | 1.61Å | 1.59Å | |
| OA3 | PA | sing | 1.61Å | 1.61Å | |
| PA | OA2 | doub | 1.48Å | 1.45Å | |
| PA | OA1 | sing | 1.61Å | 1.47Å | |
| OB1 | PB | doub | 1.48Å | 1.46Å | |
| OB2 | PB | sing | 1.61Å | 1.50Å | |
| PB | OA3 | sing | 1.61Å | 1.60Å | |
| PB | O5B | sing | 1.61Å | 1.61Å | |
| N9A | C1A | sing | 1.46Å | 1.46Å | |
| C1A | C2A | sing | 1.55Å | 1.53Å | |
| C1A | O4D | sing | 1.44Å | 1.43Å | |
| C1A | H1A | sing | 1.09Å | 1.10Å | |
| N1C | C1B | sing | 1.47Å | 1.44Å | |
| C2B | C1B | sing | 1.54Å | 1.53Å | |
| C1B | O4B | sing | 1.44Å | 1.42Å | |
| C1B | H1B | sing | 1.09Å | 1.10Å | |
| C6C | N1C | sing | 1.47Å | 1.50Å | |
| N1C | C2C | sing | 1.37Å | 1.31Å | |
| N1D | C6D | doub | 1.33Å | 1.35Å | Aromatic |
| N1D | C2D | sing | 1.32Å | 1.34Å | Aromatic |
| O2A | C2A | sing | 1.43Å | 1.41Å | |
| C2A | C3A | sing | 1.55Å | 1.52Å | |
| C2A | H2A | sing | 1.09Å | 1.10Å | |
| O2B | C2B | sing | 1.43Å | 1.41Å | |
| C2B | C3B | sing | 1.54Å | 1.54Å | |
| C2B | H2B | sing | 1.09Å | 1.10Å | |
| O2B | HO2B | sing | 0.97Å | 0.95Å | |
| C3C | C2C | doub | 1.34Å | 1.30Å | |
| C2C | H2C | sing | 1.08Å | 1.08Å | |
| C2D | N3D | doub | 1.32Å | 1.34Å | Aromatic |
| C2D | H2D | sing | 1.08Å | 1.08Å | |
| C3A | C4E | sing | 1.54Å | 1.52Å | |
| C3A | O3A | sing | 1.43Å | 1.44Å | |
| C3A | H3A | sing | 1.09Å | 1.10Å | |
| O3A | HO3A | sing | 0.97Å | 0.95Å | |
| C3B | C4B | sing | 1.54Å | 1.54Å | |
| C3B | O3B | sing | 1.43Å | 1.43Å | |
| C3B | H3B | sing | 1.09Å | 1.10Å | |
| O3B | HO3B | sing | 0.97Å | 0.95Å | |
| C4C | C3C | sing | 1.50Å | 1.52Å | |
| C3C | C7C | sing | 1.41Å | 1.43Å | |
| N3D | C4D | sing | 1.33Å | 1.34Å | Aromatic |
| O4B | C4B | sing | 1.44Å | 1.46Å | |
| C5B | C4B | sing | 1.53Å | 1.53Å | |
| C4B | H4B | sing | 1.09Å | 1.10Å | |
| C4C | C5C | sing | 1.53Å | 1.52Å | |
| C4C | H4C | sing | 1.09Å | 1.10Å | |
| C4C | H4CA | sing | 1.09Å | 1.10Å | |
| C5A | C4D | doub | 1.41Å | 1.42Å | Aromatic |
| C4D | N9A | sing | 1.37Å | 1.31Å | Aromatic |
| O4D | C4E | sing | 1.44Å | 1.41Å | |
| C4E | C5E | sing | 1.53Å | 1.53Å | |
| C4E | H4E | sing | 1.09Å | 1.10Å | |
| C6D | C5A | sing | 1.40Å | 1.43Å | Aromatic |
| C5A | N7A | sing | 1.35Å | 1.38Å | Aromatic |
| O5B | C5B | sing | 1.43Å | 1.43Å | |
| C5B | H5B | sing | 1.09Å | 1.10Å | |
| C5B | H5BA | sing | 1.09Å | 1.10Å | |
| C5C | C6C | sing | 1.53Å | 1.55Å | |
| C5C | H5C | sing | 1.09Å | 1.10Å | |
| C5C | H5CA | sing | 1.09Å | 1.10Å | |
| C5E | O5E | sing | 1.43Å | 1.42Å | |
| C5E | H5E | sing | 1.09Å | 1.10Å | |
| C5E | H5EA | sing | 1.09Å | 1.10Å | |
| O6C | C6C | sing | 1.43Å | 1.42Å | |
| C6C | H6C | sing | 1.09Å | 1.10Å | |
| O6C | HO6C | sing | 0.97Å | 0.95Å | |
| N6D | C6D | sing | 1.38Å | 1.32Å | |
| N6D | HN6D | sing | 0.97Å | 1.00Å | |
| N6D | HN6A | sing | 0.97Å | 1.00Å | |
| N7A | C8A | doub | 1.30Å | 1.39Å | Aromatic |
| N7C | C7C | sing | 1.35Å | 1.32Å | |
| C7C | O7C | doub | 1.22Å | 1.26Å | |
| N7C | HN7C | sing | 0.97Å | 1.00Å | |
| N7C | HN7A | sing | 0.97Å | 1.00Å | |
| C8A | N9A | sing | 1.36Å | 1.42Å | Aromatic |
| C8A | H8A | sing | 1.08Å | 1.08Å | |
| OA1 | HOA1 | sing | 0.97Å | 0.95Å | |
| OB2 | HOB2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | P | O3 | 110.9° | 109.5° |
| O2 | P | O2A | 107.0° | 109.4° |
| O2 | P | O1 | 117.3° | 109.5° |
| O3 | P | O2A | 100.0° | 109.5° |
| O3 | P | O1 | 114.1° | 109.5° |
| P | O3 | HO3 | 109.5° | 114.0° |
| O2A | P | O1 | 105.5° | 109.5° |
| P | O2A | C2A | 121.8° | 123.0° |
| P | O1 | HO1 | 109.5° | 114.0° |
| O5E | PA | OA3 | 105.1° | 109.5° |
| O5E | PA | OA2 | 98.9° | 109.5° |
| O5E | PA | OA1 | 112.5° | 109.5° |
| PA | O5E | C5E | 123.5° | 123.0° |
| OA3 | PA | OA2 | 113.3° | 109.5° |
| OA3 | PA | OA1 | 105.0° | 109.4° |
| PA | OA3 | PB | 130.4° | 134.0° |
| OA2 | PA | OA1 | 121.2° | 109.4° |
| PA | OA1 | HOA1 | 109.5° | 114.0° |
| OB1 | PB | OB2 | 118.5° | 109.5° |
| OB1 | PB | OA3 | 113.8° | 109.5° |
| OB1 | PB | O5B | 104.8° | 109.4° |
| OB2 | PB | OA3 | 102.6° | 109.5° |
| OB2 | PB | O5B | 110.5° | 109.5° |
| PB | OB2 | HOB2 | 109.5° | 114.0° |
| OA3 | PB | O5B | 106.2° | 109.4° |
| PB | O5B | C5B | 122.6° | 123.0° |
| N9A | C1A | C2A | 116.6° | 110.6° |
| N9A | C1A | O4D | 111.3° | 110.6° |
| N9A | C1A | H1A | 101.5° | 110.7° |
| C1A | N9A | C4D | 126.6° | 126.2° |
| C1A | N9A | C8A | 122.3° | 126.3° |
| C2A | C1A | O4D | 104.0° | 103.5° |
| C2A | C1A | H1A | 109.1° | 110.6° |
| C1A | C2A | O2A | 106.4° | 110.9° |
| C1A | C2A | C3A | 102.5° | 102.1° |
| C1A | C2A | H2A | 117.3° | 110.9° |
| O4D | C1A | H1A | 114.7° | 110.6° |
| C1A | O4D | C4E | 110.5° | 107.0° |
| N1C | C1B | C2B | 114.8° | 110.5° |
| N1C | C1B | O4B | 107.6° | 110.3° |
| N1C | C1B | H1B | 106.2° | 110.3° |
| C1B | N1C | C6C | 120.3° | 120.5° |
| C1B | N1C | C2C | 124.3° | 120.4° |
| C2B | C1B | O4B | 106.2° | 104.8° |
| C2B | C1B | H1B | 107.6° | 110.4° |
| C1B | C2B | O2B | 112.6° | 110.5° |
| C1B | C2B | C3B | 98.3° | 104.1° |
| C1B | C2B | H2B | 116.2° | 110.5° |
| O4B | C1B | H1B | 114.8° | 110.4° |
| C1B | O4B | C4B | 104.6° | 105.2° |
| C6C | N1C | C2C | 115.3° | 119.1° |
| N1C | C6C | C5C | 107.1° | 108.0° |
| N1C | C6C | O6C | 109.7° | 109.4° |
| N1C | C6C | H6C | 112.3° | 109.9° |
| N1C | C2C | C3C | 134.2° | 121.7° |
| N1C | C2C | H2C | 112.9° | 119.1° |
| C6D | N1D | C2D | 122.7° | 121.2° |
| N1D | C6D | C5A | 113.1° | 118.5° |
| N1D | C6D | N6D | 120.4° | 120.8° |
| N1D | C2D | N3D | 128.4° | 122.4° |
| N1D | C2D | H2D | 115.8° | 118.8° |
| O2A | C2A | C3A | 113.7° | 110.9° |
| O2A | C2A | H2A | 106.8° | 110.8° |
| C3A | C2A | H2A | 110.4° | 110.9° |
| C2A | C3A | C4E | 101.1° | 104.2° |
| C2A | C3A | O3A | 112.7° | 110.5° |
| C2A | C3A | H3A | 112.7° | 110.5° |
| O2B | C2B | C3B | 113.8° | 110.5° |
| O2B | C2B | H2B | 101.5° | 110.5° |
| C2B | O2B | HO2B | 109.5° | 114.1° |
| C3B | C2B | H2B | 115.1° | 110.5° |
| C2B | C3B | C4B | 102.4° | 104.1° |
| C2B | C3B | O3B | 107.5° | 110.5° |
| C2B | C3B | H3B | 115.5° | 110.5° |
| C3C | C2C | H2C | 112.9° | 119.2° |
| C2C | C3C | C4C | 115.3° | 122.6° |
| C2C | C3C | C7C | 124.2° | 118.7° |
| N3D | C2D | H2D | 115.8° | 118.8° |
| C2D | N3D | C4D | 110.9° | 120.7° |
| C4E | C3A | O3A | 109.0° | 110.5° |
| C4E | C3A | H3A | 116.2° | 110.5° |
| C3A | C4E | O4D | 107.8° | 107.3° |
| C3A | C4E | C5E | 112.6° | 109.9° |
| C3A | C4E | H4E | 107.8° | 109.9° |
| O3A | C3A | H3A | 105.3° | 110.5° |
| C3A | O3A | HO3A | 109.5° | 114.0° |
| C4B | C3B | O3B | 110.5° | 110.5° |
| C4B | C3B | H3B | 112.7° | 110.5° |
| C3B | C4B | O4B | 108.4° | 104.8° |
| C3B | C4B | C5B | 113.2° | 110.4° |
| C3B | C4B | H4B | 107.2° | 110.4° |
| O3B | C3B | H3B | 108.1° | 110.5° |
| C3B | O3B | HO3B | 109.5° | 114.1° |
| C4C | C3C | C7C | 120.4° | 118.7° |
| C3C | C4C | C5C | 109.4° | 110.1° |
| C3C | C4C | H4C | 109.5° | 109.4° |
| C3C | C4C | H4CA | 109.5° | 109.4° |
| C3C | C7C | N7C | 118.7° | 120.0° |
| C3C | C7C | O7C | 120.2° | 120.0° |
| N3D | C4D | C5A | 125.5° | 119.1° |
| N3D | C4D | N9A | 130.4° | 134.9° |
| O4B | C4B | C5B | 108.0° | 110.5° |
| O4B | C4B | H4B | 112.5° | 110.4° |
| C5B | C4B | H4B | 107.6° | 110.3° |
| C4B | C5B | O5B | 110.5° | 109.4° |
| C4B | C5B | H5B | 109.1° | 109.5° |
| C4B | C5B | H5BA | 109.1° | 109.5° |
| C5C | C4C | H4C | 109.5° | 109.4° |
| C5C | C4C | H4CA | 109.5° | 109.3° |
| C4C | C5C | C6C | 111.5° | 108.7° |
| C4C | C5C | H5C | 108.8° | 109.6° |
| C4C | C5C | H5CA | 108.8° | 109.7° |
| H4C | C4C | H4CA | 109.4° | 109.2° |
| C5A | C4D | N9A | 104.0° | 106.0° |
| C4D | C5A | C6D | 119.3° | 118.1° |
| C4D | C5A | N7A | 113.3° | 107.1° |
| C4D | N9A | C8A | 111.0° | 107.4° |
| O4D | C4E | C5E | 107.1° | 109.9° |
| O4D | C4E | H4E | 113.2° | 109.9° |
| C5E | C4E | H4E | 108.5° | 110.0° |
| C4E | C5E | O5E | 108.2° | 109.4° |
| C4E | C5E | H5E | 109.9° | 109.5° |
| C4E | C5E | H5EA | 109.9° | 109.5° |
| C6D | C5A | N7A | 127.4° | 134.7° |
| C5A | C6D | N6D | 126.4° | 120.7° |
| C5A | N7A | C8A | 103.0° | 109.5° |
| O5B | C5B | H5B | 109.1° | 109.5° |
| O5B | C5B | H5BA | 109.1° | 109.5° |
| H5B | C5B | H5BA | 109.8° | 109.5° |
| C6C | C5C | H5C | 108.8° | 109.6° |
| C6C | C5C | H5CA | 108.8° | 109.5° |
| C5C | C6C | O6C | 113.3° | 109.8° |
| C5C | C6C | H6C | 108.6° | 109.8° |
| H5C | C5C | H5CA | 110.2° | 109.8° |
| O5E | C5E | H5E | 109.9° | 109.5° |
| O5E | C5E | H5EA | 109.9° | 109.5° |
| H5E | C5E | H5EA | 109.0° | 109.5° |
| O6C | C6C | H6C | 106.0° | 109.9° |
| C6C | O6C | HO6C | 109.5° | 114.0° |
| C6D | N6D | HN6D | 109.5° | 120.0° |
| C6D | N6D | HN6A | 109.5° | 120.0° |
| HN6D | N6D | HN6A | 109.4° | 120.0° |
| N7A | C8A | N9A | 108.7° | 110.0° |
| N7A | C8A | H8A | 125.6° | 125.1° |
| N7C | C7C | O7C | 121.1° | 120.0° |
| C7C | N7C | HN7C | 120.0° | 120.0° |
| C7C | N7C | HN7A | 120.0° | 120.0° |
| HN7C | N7C | HN7A | 120.0° | 120.0° |
| N9A | C8A | H8A | 125.6° | 124.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | P | O3 | O2A | 112.6° | 120.0° |
| O2 | P | O3 | O1 | 135.2° | 120.0° |
| O2 | P | O2A | O1 | 125.7° | 120.0° |
| O2 | P | O1 | HO1 | 0.0° | 179.9° |
| O2 | P | O3 | HO3 | 0.0° | 59.9° |
| O2 | P | O2A | C2A | 63.2° | 55.0° |
| O3 | P | O2A | O1 | 118.6° | 120.0° |
| O3 | P | O1 | HO1 | 132.2° | 60.0° |
| O3 | P | O2A | C2A | 178.9° | 175.1° |
| O2A | P | O1 | HO1 | 119.0° | 60.0° |
| O2A | P | O3 | HO3 | 112.7° | 179.9° |
| P | O2A | C2A | C1A | 170.2° | 120.0° |
| P | O2A | C2A | C3A | 77.7° | 127.3° |
| P | O2A | C2A | H2A | 44.3° | 3.6° |
| O1 | P | O3 | HO3 | 135.2° | 60.1° |
| O1 | P | O2A | C2A | 62.4° | 65.0° |
| O5E | PA | OA3 | OA2 | 106.9° | 120.1° |
| O5E | PA | OA3 | OA1 | 118.8° | 120.0° |
| O5E | PA | OA2 | OA1 | 123.1° | 120.0° |
| O5E | PA | OA3 | PB | 76.6° | 165.0° |
| PA | O5E | C5E | C4E | 119.6° | 180.0° |
| PA | O5E | C5E | H5E | 0.4° | 60.0° |
| PA | O5E | C5E | H5EA | 120.4° | 60.1° |
| O5E | PA | OA1 | HOA1 | 116.4° | 60.0° |
| OA3 | PA | OA2 | OA1 | 126.1° | 119.9° |
| PA | OA3 | PB | OB1 | 45.2° | 45.1° |
| PA | OA3 | PB | OB2 | 174.4° | 75.0° |
| PA | OA3 | PB | O5B | 69.6° | 165.0° |
| OA3 | PA | O5E | C5E | 77.6° | 175.0° |
| OA3 | PA | OA1 | HOA1 | 129.8° | 60.0° |
| OA2 | PA | OA3 | PB | 30.2° | 44.9° |
| OA2 | PA | O5E | C5E | 165.2° | 55.0° |
| OA2 | PA | OA1 | HOA1 | 0.0° | 180.0° |
| OA1 | PA | OA3 | PB | 164.5° | 75.0° |
| OA1 | PA | O5E | C5E | 36.1° | 65.0° |
| OB1 | PB | OB2 | OA3 | 126.3° | 120.0° |
| OB1 | PB | OB2 | O5B | 120.9° | 120.0° |
| OB1 | PB | OA3 | O5B | 114.8° | 119.9° |
| OB1 | PB | O5B | C5B | 168.1° | 55.0° |
| OB1 | PB | OB2 | HOB2 | 0.0° | 180.0° |
| OB2 | PB | OA3 | O5B | 116.0° | 120.0° |
| OB2 | PB | O5B | C5B | 63.2° | 65.0° |
| OA3 | PB | O5B | C5B | 47.4° | 175.0° |
| OA3 | PB | OB2 | HOB2 | 126.3° | 60.0° |
| PB | O5B | C5B | C4B | 131.0° | 180.0° |
| PB | O5B | C5B | H5B | 11.0° | 60.0° |
| PB | O5B | C5B | H5BA | 109.0° | 60.0° |
| O5B | PB | OB2 | HOB2 | 120.9° | 60.0° |
| N9A | C1A | C2A | O4D | 122.9° | 118.4° |
| N9A | C1A | C2A | H1A | 114.2° | 123.0° |
| N9A | C1A | O4D | H1A | 114.6° | 123.0° |
| N9A | C1A | C2A | O2A | 82.8° | 86.3° |
| N9A | C1A | C2A | C3A | 157.6° | 155.5° |
| N9A | C1A | C2A | H2A | 36.6° | 37.3° |
| C1A | N9A | C4D | N3D | 1.8° | 0.0° |
| C1A | N9A | C4D | C5A | 178.1° | 180.0° |
| C1A | N9A | C4D | C8A | 177.7° | 180.0° |
| N9A | C1A | O4D | C4E | 145.6° | 158.6° |
| C1A | N9A | C8A | N7A | 178.6° | 180.0° |
| C1A | N9A | C8A | H8A | 1.4° | 0.0° |
| C2A | C1A | O4D | H1A | 119.1° | 118.5° |
| C1A | C2A | O2A | C3A | 112.0° | 112.7° |
| C1A | C2A | O2A | H2A | 126.0° | 123.6° |
| C1A | C2A | C3A | H2A | 125.7° | 118.2° |
| C1A | C2A | C3A | C4E | 36.1° | 20.9° |
| C1A | C2A | C3A | O3A | 80.2° | 97.8° |
| C1A | C2A | C3A | H3A | 160.8° | 139.6° |
| C2A | C1A | N9A | C4D | 85.6° | 85.0° |
| C2A | C1A | O4D | C4E | 19.3° | 40.1° |
| C2A | C1A | N9A | C8A | 91.9° | 95.0° |
| O4D | C1A | C2A | O2A | 154.3° | 155.2° |
| O4D | C1A | C2A | C3A | 34.7° | 37.0° |
| O4D | C1A | C2A | H2A | 86.3° | 81.2° |
| C1A | O4D | C4E | C3A | 4.2° | 26.5° |
| O4D | C1A | N9A | C4D | 155.4° | 160.9° |
| C1A | O4D | C4E | C5E | 117.1° | 145.9° |
| C1A | O4D | C4E | H4E | 123.4° | 92.9° |
| O4D | C1A | N9A | C8A | 27.1° | 19.1° |
| H1A | C1A | C2A | O2A | 31.5° | 36.7° |
| H1A | C1A | C2A | C3A | 88.2° | 81.5° |
| H1A | C1A | C2A | H2A | 150.8° | 160.3° |
| H1A | C1A | N9A | C4D | 32.9° | 38.0° |
| H1A | C1A | O4D | C4E | 99.8° | 78.4° |
| H1A | C1A | N9A | C8A | 149.7° | 142.0° |
| N1C | C1B | C2B | O4B | 118.7° | 118.9° |
| N1C | C1B | C2B | H1B | 117.9° | 122.3° |
| N1C | C1B | O4B | H1B | 117.9° | 122.2° |
| C1B | N1C | C6C | C2C | 176.7° | 179.7° |
| N1C | C1B | C2B | O2B | 75.5° | 98.5° |
| N1C | C1B | C2B | C3B | 164.3° | 142.9° |
| N1C | C1B | C2B | H2B | 41.0° | 24.2° |
| C1B | N1C | C2C | C3C | 172.1° | 166.0° |
| C1B | N1C | C2C | H2C | 7.9° | 14.0° |
| N1C | C1B | O4B | C4B | 161.0° | 159.5° |
| C1B | N1C | C6C | C5C | 143.0° | 135.6° |
| C1B | N1C | C6C | O6C | 93.7° | 104.9° |
| C1B | N1C | C6C | H6C | 23.9° | 15.8° |
| C2B | C1B | O4B | H1B | 118.7° | 118.9° |
| C2B | C1B | N1C | C6C | 54.6° | 117.8° |
| C2B | C1B | N1C | C2C | 129.0° | 61.9° |
| C1B | C2B | O2B | C3B | 110.8° | 114.6° |
| C1B | C2B | O2B | H2B | 125.0° | 122.7° |
| C1B | C2B | C3B | H2B | 124.2° | 118.7° |
| C1B | C2B | O2B | HO2B | 180.0° | 180.0° |
| C1B | C2B | C3B | C4B | 34.2° | 0.0° |
| C1B | C2B | C3B | O3B | 82.2° | 118.7° |
| C1B | C2B | C3B | H3B | 157.1° | 118.7° |
| C2B | C1B | O4B | C4B | 37.6° | 40.5° |
| O4B | C1B | N1C | C6C | 63.4° | 126.7° |
| O4B | C1B | N1C | C2C | 113.1° | 53.6° |
| O4B | C1B | C2B | O2B | 165.8° | 142.7° |
| O4B | C1B | C2B | C3B | 45.6° | 24.0° |
| O4B | C1B | C2B | H2B | 77.7° | 94.7° |
| C1B | O4B | C4B | C3B | 13.8° | 40.5° |
| C1B | O4B | C4B | C5B | 136.8° | 159.4° |
| C1B | O4B | C4B | H4B | 104.6° | 78.3° |
| H1B | C1B | N1C | C6C | 173.3° | 4.5° |
| H1B | C1B | N1C | C2C | 10.3° | 175.8° |
| H1B | C1B | C2B | O2B | 42.4° | 23.8° |
| H1B | C1B | C2B | C3B | 77.8° | 94.8° |
| H1B | C1B | C2B | H2B | 158.9° | 146.5° |
| H1B | C1B | O4B | C4B | 81.1° | 78.3° |
| C6C | N1C | C2C | C3C | 4.5° | 13.7° |
| C6C | N1C | C2C | H2C | 175.5° | 166.3° |
| N1C | C6C | C5C | C4C | 58.0° | 61.1° |
| N1C | C6C | C5C | O6C | 121.1° | 119.3° |
| N1C | C6C | C5C | H6C | 121.4° | 119.9° |
| N1C | C6C | C5C | H5C | 178.0° | 179.1° |
| N1C | C6C | C5C | H5CA | 62.0° | 58.6° |
| N1C | C6C | O6C | H6C | 121.4° | 120.8° |
| N1C | C6C | O6C | HO6C | 180.0° | 178.4° |
| N1C | C2C | C3C | H2C | 180.0° | 180.0° |
| N1C | C2C | C3C | C4C | 2.5° | 0.6° |
| N1C | C2C | C3C | C7C | 173.5° | 179.4° |
| C2C | N1C | C6C | C5C | 33.7° | 44.1° |
| C2C | N1C | C6C | O6C | 89.6° | 75.4° |
| C2C | N1C | C6C | H6C | 152.8° | 163.9° |
| C6D | N1D | C2D | N3D | 0.5° | 0.0° |
| C6D | N1D | C2D | H2D | 179.5° | 180.0° |
| N1D | C6D | C5A | C4D | 0.4° | 0.0° |
| N1D | C6D | C5A | N6D | 179.4° | 179.9° |
| N1D | C6D | C5A | N7A | 179.0° | 180.0° |
| N1D | C6D | N6D | HN6D | 0.0° | 0.0° |
| N1D | C6D | N6D | HN6A | 120.0° | 180.0° |
| N1D | C2D | N3D | H2D | 180.0° | 180.0° |
| N1D | C2D | N3D | C4D | 1.7° | 0.0° |
| C2D | N1D | C6D | C5A | 1.1° | 0.0° |
| C2D | N1D | C6D | N6D | 179.4° | 180.0° |
| O2A | C2A | C3A | H2A | 120.0° | 123.6° |
| O2A | C2A | C3A | C4E | 150.4° | 139.1° |
| O2A | C2A | C3A | O3A | 34.2° | 20.4° |
| O2A | C2A | C3A | H3A | 84.9° | 102.2° |
| C2A | C3A | C4E | O3A | 119.0° | 118.7° |
| C2A | C3A | C4E | H3A | 122.3° | 118.7° |
| C2A | C3A | O3A | H3A | 123.2° | 122.6° |
| C2A | C3A | O3A | HO3A | 180.0° | 180.0° |
| C2A | C3A | C4E | O4D | 25.8° | 2.0° |
| C2A | C3A | C4E | C5E | 92.1° | 121.5° |
| C2A | C3A | C4E | H4E | 148.3° | 117.4° |
| H2A | C2A | C3A | C4E | 89.6° | 97.3° |
| H2A | C2A | C3A | O3A | 154.2° | 144.0° |
| H2A | C2A | C3A | H3A | 35.1° | 21.4° |
| O2B | C2B | C3B | H2B | 116.5° | 122.7° |
| O2B | C2B | C3B | C4B | 153.5° | 118.7° |
| O2B | C2B | C3B | O3B | 37.1° | 0.0° |
| O2B | C2B | C3B | H3B | 83.6° | 122.7° |
| C3B | C2B | O2B | HO2B | 69.2° | 65.3° |
| C2B | C3B | C4B | O3B | 114.2° | 118.7° |
| C2B | C3B | C4B | H3B | 124.7° | 118.7° |
| C2B | C3B | O3B | H3B | 125.2° | 122.7° |
| C2B | C3B | O3B | HO3B | 180.0° | 61.5° |
| C2B | C3B | C4B | O4B | 14.5° | 24.0° |
| C2B | C3B | C4B | C5B | 105.2° | 142.9° |
| C2B | C3B | C4B | H4B | 136.2° | 94.9° |
| H2B | C2B | O2B | HO2B | 55.0° | 57.4° |
| H2B | C2B | C3B | C4B | 90.0° | 118.6° |
| H2B | C2B | C3B | O3B | 153.6° | 122.7° |
| H2B | C2B | C3B | H3B | 32.9° | 0.0° |
| C2C | C3C | C4C | C7C | 176.2° | 180.0° |
| C2C | C3C | C4C | C5C | 22.1° | 19.9° |
| C2C | C3C | C4C | H4C | 97.9° | 100.4° |
| C2C | C3C | C4C | H4CA | 142.1° | 140.0° |
| C2C | C3C | C7C | N7C | 177.7° | 180.0° |
| C2C | C3C | C7C | O7C | 5.0° | 0.0° |
| H2C | C2C | C3C | C4C | 177.5° | 179.4° |
| H2C | C2C | C3C | C7C | 6.5° | 0.6° |
| C2D | N3D | C4D | C5A | 3.2° | 0.0° |
| C2D | N3D | C4D | N9A | 178.8° | 180.0° |
| H2D | C2D | N3D | C4D | 178.4° | 180.0° |
| C4E | C3A | O3A | H3A | 125.3° | 122.6° |
| C4E | C3A | O3A | HO3A | 68.6° | 65.2° |
| C3A | C4E | O4D | C5E | 121.3° | 119.4° |
| C3A | C4E | O4D | H4E | 119.1° | 119.4° |
| C3A | C4E | C5E | H4E | 119.2° | 121.1° |
| C3A | C4E | C5E | O5E | 168.1° | 175.0° |
| C3A | C4E | C5E | H5E | 48.1° | 55.0° |
| C3A | C4E | C5E | H5EA | 71.9° | 65.0° |
| O3A | C3A | C4E | O4D | 93.2° | 120.7° |
| O3A | C3A | C4E | C5E | 148.9° | 119.9° |
| O3A | C3A | C4E | H4E | 29.3° | 1.3° |
| H3A | C3A | O3A | HO3A | 56.8° | 57.4° |
| H3A | C3A | C4E | O4D | 148.1° | 116.7° |
| H3A | C3A | C4E | C5E | 30.2° | 2.8° |
| H3A | C3A | C4E | H4E | 89.4° | 123.9° |
| C4B | C3B | O3B | H3B | 123.8° | 122.6° |
| C4B | C3B | O3B | HO3B | 69.1° | 176.1° |
| C3B | C4B | O4B | C5B | 123.0° | 118.9° |
| C3B | C4B | O4B | H4B | 118.4° | 118.8° |
| C3B | C4B | C5B | H4B | 118.3° | 122.2° |
| C3B | C4B | C5B | O5B | 47.4° | 175.0° |
| C3B | C4B | C5B | H5B | 167.3° | 55.0° |
| C3B | C4B | C5B | H5BA | 72.6° | 65.0° |
| O3B | C3B | C4B | O4B | 99.7° | 142.6° |
| O3B | C3B | C4B | C5B | 140.5° | 98.4° |
| O3B | C3B | C4B | H4B | 22.0° | 23.8° |
| H3B | C3B | O3B | HO3B | 54.7° | 61.2° |
| H3B | C3B | C4B | O4B | 139.2° | 94.7° |
| H3B | C3B | C4B | C5B | 19.5° | 24.2° |
| H3B | C3B | C4B | H4B | 99.1° | 146.5° |
| C3C | C4C | C5C | H4C | 120.0° | 120.3° |
| C3C | C4C | C5C | H4CA | 120.0° | 120.2° |
| C3C | C4C | H4C | H4CA | 120.0° | 119.7° |
| C3C | C4C | C5C | C6C | 52.1° | 49.3° |
| C3C | C4C | C5C | H5C | 172.1° | 169.0° |
| C3C | C4C | C5C | H5CA | 67.9° | 70.4° |
| C4C | C3C | C7C | N7C | 1.9° | 0.0° |
| C4C | C3C | C7C | O7C | 179.2° | 180.0° |
| C7C | C3C | C4C | C5C | 161.8° | 160.2° |
| C7C | C3C | C4C | H4C | 78.2° | 79.6° |
| C7C | C3C | C4C | H4CA | 41.8° | 40.0° |
| C3C | C7C | N7C | O7C | 177.3° | 180.0° |
| C3C | C7C | N7C | HN7C | 177.3° | 0.0° |
| C3C | C7C | N7C | HN7A | 2.7° | 180.0° |
| N3D | C4D | C5A | N9A | 176.5° | 180.0° |
| N3D | C4D | C5A | C6D | 2.8° | 0.0° |
| N3D | C4D | C5A | N7A | 176.7° | 180.0° |
| N3D | C4D | N9A | C8A | 175.9° | 180.0° |
| O4B | C4B | C5B | H4B | 121.7° | 122.3° |
| O4B | C4B | C5B | O5B | 72.7° | 69.6° |
| O4B | C4B | C5B | H5B | 47.3° | 170.4° |
| O4B | C4B | C5B | H5BA | 167.4° | 50.4° |
| C4B | C5B | O5B | H5B | 120.0° | 120.0° |
| C4B | C5B | O5B | H5BA | 120.0° | 120.0° |
| C4B | C5B | H5B | H5BA | 119.6° | 120.1° |
| H4B | C4B | C5B | O5B | 165.7° | 52.8° |
| H4B | C4B | C5B | H5B | 74.4° | 67.2° |
| H4B | C4B | C5B | H5BA | 45.7° | 172.8° |
| C5C | C4C | H4C | H4CA | 120.1° | 119.6° |
| C4C | C5C | C6C | H5C | 120.0° | 119.8° |
| C4C | C5C | C6C | H5CA | 120.0° | 119.7° |
| C4C | C5C | H5C | H5CA | 119.2° | 120.5° |
| C4C | C5C | C6C | O6C | 63.0° | 58.1° |
| C4C | C5C | C6C | H6C | 179.5° | 179.0° |
| H4C | C4C | C5C | C6C | 67.9° | 71.0° |
| H4C | C4C | C5C | H5C | 52.1° | 48.8° |
| H4C | C4C | C5C | H5CA | 172.1° | 169.4° |
| H4CA | C4C | C5C | C6C | 172.1° | 169.4° |
| H4CA | C4C | C5C | H5C | 67.9° | 70.8° |
| H4CA | C4C | C5C | H5CA | 52.1° | 49.8° |
| C4D | C5A | C6D | N7A | 179.4° | 180.0° |
| C4D | C5A | C6D | N6D | 179.1° | 180.0° |
| C4D | C5A | N7A | C8A | 0.6° | 0.0° |
| C5A | C4D | N9A | C8A | 0.4° | 0.0° |
| N9A | C4D | C5A | C6D | 179.3° | 180.0° |
| N9A | C4D | C5A | N7A | 0.2° | 0.0° |
| C4D | N9A | C8A | N7A | 0.8° | 0.0° |
| C4D | N9A | C8A | H8A | 179.2° | 180.0° |
| O4D | C4E | C5E | H4E | 122.5° | 121.1° |
| O4D | C4E | C5E | O5E | 73.7° | 67.2° |
| O4D | C4E | C5E | H5E | 166.3° | 172.8° |
| O4D | C4E | C5E | H5EA | 46.3° | 52.8° |
| C4E | C5E | O5E | H5E | 120.0° | 120.0° |
| C4E | C5E | O5E | H5EA | 120.0° | 120.0° |
| C4E | C5E | H5E | H5EA | 120.5° | 120.0° |
| H4E | C4E | C5E | O5E | 48.8° | 54.0° |
| H4E | C4E | C5E | H5E | 71.2° | 66.1° |
| H4E | C4E | C5E | H5EA | 168.8° | 173.9° |
| C5A | C6D | N6D | HN6D | 179.4° | 180.0° |
| C5A | C6D | N6D | HN6A | 59.4° | 0.0° |
| C6D | C5A | N7A | C8A | 178.8° | 180.0° |
| N7A | C5A | C6D | N6D | 1.5° | 0.0° |
| C5A | N7A | C8A | N9A | 0.8° | 0.0° |
| C5A | N7A | C8A | H8A | 179.2° | 180.0° |
| O5B | C5B | H5B | H5BA | 119.6° | 120.0° |
| C6C | C5C | H5C | H5CA | 119.2° | 120.3° |
| C5C | C6C | O6C | H6C | 119.0° | 120.8° |
| C5C | C6C | O6C | HO6C | 60.4° | 60.1° |
| H5C | C5C | C6C | O6C | 56.9° | 61.7° |
| H5C | C5C | C6C | H6C | 60.5° | 59.2° |
| H5CA | C5C | C6C | O6C | 176.9° | 177.9° |
| H5CA | C5C | C6C | H6C | 59.5° | 61.2° |
| O5E | C5E | H5E | H5EA | 120.5° | 120.0° |
| H6C | C6C | O6C | HO6C | 58.6° | 60.8° |
| C6D | N6D | HN6D | HN6A | 120.0° | 180.0° |
| N7A | C8A | N9A | H8A | 180.0° | 180.0° |
| C7C | N7C | HN7C | HN7A | 180.0° | 180.0° |
| O7C | C7C | N7C | HN7C | 0.0° | 180.0° |
| O7C | C7C | N7C | HN7A | 180.0° | 0.0° |
