DYN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1V | PV | doub | 1.48Å | 1.50Å | |
| PV | O3E | sing | 1.61Å | 1.60Å | |
| PV | O5C | sing | 1.61Å | 1.63Å | |
| PV | O2V | sing | 1.61Å | 1.50Å | |
| O5D | PY | sing | 1.61Å | 1.59Å | |
| O3C | PY | sing | 1.61Å | 1.63Å | |
| PY | O2Y | doub | 1.48Å | 1.51Å | |
| PY | O1Y | sing | 1.61Å | 1.51Å | |
| O3D | PZ | sing | 1.61Å | 1.61Å | |
| O1Z | PZ | doub | 1.48Å | 1.51Å | |
| PZ | O5B | sing | 1.61Å | 1.62Å | |
| PZ | O2Z | sing | 1.61Å | 1.50Å | |
| O3E | C1A | sing | 1.43Å | 1.42Å | |
| C2A | C1A | sing | 1.53Å | 1.53Å | |
| C1A | H1A | sing | 1.09Å | 1.10Å | |
| C1A | H1AA | sing | 1.09Å | 1.10Å | |
| C6C | N1C | sing | 1.47Å | 1.49Å | |
| C2C | N1C | sing | 1.48Å | 1.48Å | |
| N1C | C7C | sing | 1.49Å | 1.48Å | |
| C1D | C2D | sing | 1.54Å | 1.51Å | |
| C1D | N9N | sing | 1.46Å | 1.49Å | |
| C1D | O4D | sing | 1.44Å | 1.45Å | |
| C1D | H1D | sing | 1.09Å | 1.10Å | |
| N1I | C2I | doub | 1.32Å | 1.34Å | Aromatic |
| N1I | C6I | sing | 1.33Å | 1.35Å | Aromatic |
| C2N | N1N | sing | 1.36Å | 1.36Å | |
| N1N | C6N | sing | 1.35Å | 1.34Å | |
| N1N | HN1N | sing | 0.97Å | 1.00Å | |
| O1Y | HO1Y | sing | 0.97Å | 0.95Å | |
| C2A | C3A | sing | 1.53Å | 1.52Å | |
| C2A | H2A | sing | 1.09Å | 1.10Å | |
| C2A | H2AA | sing | 1.09Å | 1.10Å | |
| O60 | C2B | sing | 1.43Å | 1.44Å | |
| C2B | C3B | sing | 1.53Å | 1.53Å | |
| C2B | H2B | sing | 1.09Å | 1.10Å | |
| C2B | H2BA | sing | 1.09Å | 1.10Å | |
| C2C | C3C | sing | 1.54Å | 1.52Å | |
| C2C | H2C | sing | 1.09Å | 1.10Å | |
| C2C | H2CA | sing | 1.09Å | 1.10Å | |
| O2D | C2D | sing | 1.43Å | 1.44Å | |
| C2D | C3D | sing | 1.55Å | 1.52Å | |
| C2D | H2D | sing | 1.09Å | 1.10Å | |
| C6D | O2D | sing | 1.43Å | 1.43Å | |
| C2I | N3I | sing | 1.32Å | 1.34Å | Aromatic |
| C2I | H2I | sing | 1.08Å | 1.08Å | |
| N2N | C2N | sing | 1.37Å | 1.35Å | |
| C2N | N3N | doub | 1.31Å | 1.35Å | |
| N2N | HN2N | sing | 0.97Å | 1.00Å | |
| N2N | HN2A | sing | 0.97Å | 1.00Å | |
| O2V | HO2V | sing | 0.97Å | 0.95Å | |
| O2Z | HO2Z | sing | 0.97Å | 0.95Å | |
| C3A | O59 | sing | 1.43Å | 1.44Å | |
| C3A | H3A | sing | 1.09Å | 1.10Å | |
| C3A | H3AA | sing | 1.09Å | 1.10Å | |
| C3B | C4B | sing | 1.53Å | 1.54Å | |
| C3B | H3B | sing | 1.09Å | 1.10Å | |
| C3B | H3BA | sing | 1.09Å | 1.10Å | |
| C3C | O3C | sing | 1.43Å | 1.43Å | |
| C3C | C4C | sing | 1.55Å | 1.52Å | |
| C3C | H3C | sing | 1.09Å | 1.10Å | |
| C3D | O3D | sing | 1.43Å | 1.42Å | |
| C3D | C4D | sing | 1.55Å | 1.51Å | |
| C3D | H3D | sing | 1.09Å | 1.10Å | |
| N3I | C4I | doub | 1.34Å | 1.35Å | Aromatic |
| N3N | C4N | sing | 1.34Å | 1.34Å | |
| C4B | C5B | sing | 1.53Å | 1.53Å | |
| C4B | H4B | sing | 1.09Å | 1.10Å | |
| C4B | H4BA | sing | 1.09Å | 1.10Å | |
| C7C | C4C | sing | 1.55Å | 1.52Å | |
| C4C | C5C | sing | 1.53Å | 1.54Å | |
| C4C | H4C | sing | 1.09Å | 1.10Å | |
| O4D | C4D | sing | 1.44Å | 1.43Å | |
| C4D | C5D | sing | 1.53Å | 1.52Å | |
| C4D | H4D | sing | 1.09Å | 1.10Å | |
| C5I | C4I | sing | 1.41Å | 1.37Å | Aromatic |
| C4I | C9I | sing | 1.46Å | 1.48Å | Aromatic |
| C4N | N9N | sing | 1.37Å | 1.32Å | Aromatic |
| C4N | C5N | doub | 1.40Å | 1.47Å | Aromatic |
| O59 | HO59 | sing | 0.97Å | 0.95Å | |
| C5B | O5B | sing | 1.43Å | 1.43Å | |
| C5B | H5B | sing | 1.09Å | 1.10Å | |
| C5B | H5BA | sing | 1.09Å | 1.10Å | |
| C5C | O5C | sing | 1.43Å | 1.44Å | |
| C5C | H5C | sing | 1.09Å | 1.10Å | |
| C5C | H5CA | sing | 1.09Å | 1.10Å | |
| C5D | O5D | sing | 1.43Å | 1.39Å | |
| C5D | H5D | sing | 1.09Å | 1.10Å | |
| C5D | H5DA | sing | 1.09Å | 1.10Å | |
| C6I | C5I | doub | 1.40Å | 1.39Å | Aromatic |
| C5I | N7I | sing | 1.37Å | 1.35Å | Aromatic |
| C6N | C5N | sing | 1.41Å | 1.48Å | |
| C5N | N7N | sing | 1.36Å | 1.33Å | Aromatic |
| O60 | HO60 | sing | 0.97Å | 0.95Å | |
| C9I | C6C | sing | 1.51Å | 1.51Å | |
| C6C | H6C | sing | 1.09Å | 1.10Å | |
| C6C | H6CA | sing | 1.09Å | 1.10Å | |
| C6D | H6D | sing | 1.09Å | 1.10Å | |
| C6D | H6DA | sing | 1.09Å | 1.10Å | |
| C6D | H6DB | sing | 1.09Å | 1.10Å | |
| N6I | C6I | sing | 1.39Å | 1.35Å | |
| N6I | HN6I | sing | 0.97Å | 1.00Å | |
| N6I | HN6A | sing | 0.97Å | 1.00Å | |
| C6N | O6N | doub | 1.22Å | 1.24Å | |
| C7C | H7C | sing | 1.09Å | 1.10Å | |
| C7C | H7CA | sing | 1.09Å | 1.10Å | |
| N7I | C8I | sing | 1.36Å | 1.38Å | Aromatic |
| C8N | N7N | doub | 1.30Å | 1.35Å | Aromatic |
| C9I | C8I | doub | 1.35Å | 1.39Å | Aromatic |
| C8I | H8I | sing | 1.08Å | 1.08Å | |
| N9N | C8N | sing | 1.36Å | 1.35Å | Aromatic |
| C8N | H8N | sing | 1.08Å | 1.08Å | |
| N7I | HN7I | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1V | PV | O3E | 105.2° | 109.5° |
| O1V | PV | O5C | 111.6° | 109.5° |
| O1V | PV | O2V | 119.6° | 109.5° |
| O3E | PV | O5C | 103.6° | 109.5° |
| O3E | PV | O2V | 108.3° | 109.5° |
| PV | O3E | C1A | 122.5° | 123.0° |
| O5C | PV | O2V | 107.2° | 109.5° |
| PV | O5C | C5C | 125.1° | 123.0° |
| PV | O2V | HO2V | 109.5° | 114.0° |
| O5D | PY | O3C | 101.9° | 109.5° |
| O5D | PY | O2Y | 116.0° | 109.4° |
| O5D | PY | O1Y | 99.0° | 109.5° |
| PY | O5D | C5D | 122.4° | 123.0° |
| O3C | PY | O2Y | 110.3° | 109.5° |
| O3C | PY | O1Y | 108.4° | 109.5° |
| PY | O3C | C3C | 124.4° | 123.0° |
| O2Y | PY | O1Y | 119.4° | 109.5° |
| PY | O1Y | HO1Y | 109.5° | 114.0° |
| O3D | PZ | O1Z | 104.6° | 109.4° |
| O3D | PZ | O5B | 104.6° | 109.5° |
| O3D | PZ | O2Z | 108.3° | 109.5° |
| PZ | O3D | C3D | 117.8° | 123.0° |
| O1Z | PZ | O5B | 112.3° | 109.5° |
| O1Z | PZ | O2Z | 119.5° | 109.4° |
| O5B | PZ | O2Z | 106.5° | 109.5° |
| PZ | O5B | C5B | 125.2° | 123.0° |
| PZ | O2Z | HO2Z | 109.5° | 113.9° |
| O3E | C1A | C2A | 106.6° | 109.5° |
| O3E | C1A | H1A | 110.5° | 109.5° |
| O3E | C1A | H1AA | 110.4° | 109.5° |
| C2A | C1A | H1A | 110.4° | 109.5° |
| C2A | C1A | H1AA | 110.5° | 109.4° |
| C1A | C2A | C3A | 111.9° | 109.5° |
| C1A | C2A | H2A | 108.7° | 109.5° |
| C1A | C2A | H2AA | 108.7° | 109.5° |
| H1A | C1A | H1AA | 108.4° | 109.5° |
| C6C | N1C | C2C | 115.2° | 111.1° |
| C6C | N1C | C7C | 115.0° | 111.0° |
| N1C | C6C | C9I | 119.2° | 109.5° |
| N1C | C6C | H6C | 106.4° | 109.5° |
| N1C | C6C | H6CA | 106.4° | 109.4° |
| C2C | N1C | C7C | 106.7° | 105.8° |
| N1C | C2C | C3C | 104.5° | 107.1° |
| N1C | C2C | H2C | 111.2° | 109.9° |
| N1C | C2C | H2CA | 111.2° | 109.9° |
| N1C | C7C | C4C | 104.9° | 103.2° |
| N1C | C7C | H7C | 111.0° | 110.7° |
| N1C | C7C | H7CA | 111.0° | 110.6° |
| C2D | C1D | N9N | 113.4° | 109.9° |
| C2D | C1D | O4D | 106.2° | 107.3° |
| C2D | C1D | H1D | 108.8° | 109.9° |
| C1D | C2D | O2D | 109.4° | 110.5° |
| C1D | C2D | C3D | 101.0° | 104.2° |
| C1D | C2D | H2D | 115.8° | 110.5° |
| N9N | C1D | O4D | 108.6° | 109.8° |
| N9N | C1D | H1D | 106.4° | 109.9° |
| C1D | N9N | C4N | 125.8° | 126.3° |
| C1D | N9N | C8N | 127.4° | 126.3° |
| O4D | C1D | H1D | 113.5° | 110.0° |
| C1D | O4D | C4D | 110.7° | 107.0° |
| C2I | N1I | C6I | 122.1° | 121.4° |
| N1I | C2I | N3I | 120.7° | 122.3° |
| N1I | C2I | H2I | 119.7° | 118.8° |
| N1I | C6I | C5I | 118.9° | 118.6° |
| N1I | C6I | N6I | 119.7° | 120.7° |
| C2N | N1N | C6N | 122.3° | 120.4° |
| C2N | N1N | HN1N | 118.9° | 119.9° |
| N1N | C2N | N2N | 120.1° | 119.1° |
| N1N | C2N | N3N | 122.8° | 121.9° |
| C6N | N1N | HN1N | 118.9° | 119.8° |
| N1N | C6N | C5N | 117.7° | 118.3° |
| N1N | C6N | O6N | 121.7° | 120.9° |
| C3A | C2A | H2A | 108.7° | 109.5° |
| C3A | C2A | H2AA | 108.7° | 109.5° |
| C2A | C3A | O59 | 109.2° | 109.5° |
| C2A | C3A | H3A | 109.6° | 109.5° |
| C2A | C3A | H3AA | 109.5° | 109.5° |
| H2A | C2A | H2AA | 110.2° | 109.5° |
| O60 | C2B | C3B | 110.2° | 109.5° |
| O60 | C2B | H2B | 109.2° | 109.5° |
| O60 | C2B | H2BA | 109.2° | 109.5° |
| C2B | O60 | HO60 | 109.5° | 114.0° |
| C3B | C2B | H2B | 109.2° | 109.5° |
| C3B | C2B | H2BA | 109.3° | 109.4° |
| C2B | C3B | C4B | 114.2° | 109.5° |
| C2B | C3B | H3B | 107.9° | 109.4° |
| C2B | C3B | H3BA | 107.9° | 109.4° |
| H2B | C2B | H2BA | 109.7° | 109.5° |
| C3C | C2C | H2C | 111.2° | 110.0° |
| C3C | C2C | H2CA | 111.2° | 109.9° |
| C2C | C3C | O3C | 109.1° | 110.3° |
| C2C | C3C | C4C | 105.9° | 105.1° |
| C2C | C3C | H3C | 112.5° | 110.3° |
| H2C | C2C | H2CA | 107.7° | 110.0° |
| O2D | C2D | C3D | 112.0° | 110.5° |
| O2D | C2D | H2D | 105.5° | 110.5° |
| C2D | O2D | C6D | 113.5° | 114.0° |
| C3D | C2D | H2D | 113.3° | 110.5° |
| C2D | C3D | O3D | 117.1° | 110.9° |
| C2D | C3D | C4D | 108.2° | 102.1° |
| C2D | C3D | H3D | 105.0° | 110.9° |
| O2D | C6D | H6D | 109.5° | 109.4° |
| O2D | C6D | H6DA | 109.5° | 109.5° |
| O2D | C6D | H6DB | 109.5° | 109.4° |
| N3I | C2I | H2I | 119.7° | 118.8° |
| C2I | N3I | C4I | 118.2° | 120.5° |
| N2N | C2N | N3N | 117.1° | 119.1° |
| C2N | N2N | HN2N | 120.0° | 120.0° |
| C2N | N2N | HN2A | 120.0° | 120.0° |
| C2N | N3N | C4N | 121.0° | 121.2° |
| HN2N | N2N | HN2A | 120.0° | 120.0° |
| O59 | C3A | H3A | 109.6° | 109.4° |
| O59 | C3A | H3AA | 109.6° | 109.5° |
| C3A | O59 | HO59 | 109.5° | 114.0° |
| H3A | C3A | H3AA | 109.4° | 109.5° |
| C4B | C3B | H3B | 107.9° | 109.5° |
| C4B | C3B | H3BA | 107.9° | 109.5° |
| C3B | C4B | C5B | 111.2° | 109.5° |
| C3B | C4B | H4B | 108.9° | 109.5° |
| C3B | C4B | H4BA | 108.9° | 109.4° |
| H3B | C3B | H3BA | 111.0° | 109.5° |
| O3C | C3C | C4C | 110.9° | 110.3° |
| O3C | C3C | H3C | 107.7° | 110.2° |
| C4C | C3C | H3C | 110.7° | 110.4° |
| C3C | C4C | C7C | 106.2° | 102.9° |
| C3C | C4C | C5C | 113.4° | 110.7° |
| C3C | C4C | H4C | 109.3° | 110.7° |
| O3D | C3D | C4D | 109.4° | 110.9° |
| O3D | C3D | H3D | 103.8° | 110.8° |
| C4D | C3D | H3D | 113.4° | 111.0° |
| C3D | C4D | O4D | 104.8° | 103.5° |
| C3D | C4D | C5D | 99.8° | 110.6° |
| C3D | C4D | H4D | 118.4° | 110.6° |
| N3I | C4I | C5I | 123.5° | 119.2° |
| N3I | C4I | C9I | 128.1° | 134.9° |
| N3N | C4N | N9N | 134.2° | 134.2° |
| N3N | C4N | C5N | 118.7° | 119.7° |
| C5B | C4B | H4B | 108.9° | 109.5° |
| C5B | C4B | H4BA | 108.9° | 109.4° |
| C4B | C5B | O5B | 111.1° | 109.5° |
| C4B | C5B | H5B | 108.9° | 109.5° |
| C4B | C5B | H5BA | 108.9° | 109.4° |
| H4B | C4B | H4BA | 110.0° | 109.5° |
| C7C | C4C | C5C | 110.3° | 110.7° |
| C7C | C4C | H4C | 112.5° | 110.9° |
| C4C | C7C | H7C | 111.0° | 110.7° |
| C4C | C7C | H7CA | 111.0° | 110.7° |
| C5C | C4C | H4C | 105.1° | 110.7° |
| C4C | C5C | O5C | 109.2° | 109.5° |
| C4C | C5C | H5C | 109.6° | 109.5° |
| C4C | C5C | H5CA | 109.6° | 109.5° |
| O4D | C4D | C5D | 110.3° | 110.6° |
| O4D | C4D | H4D | 109.2° | 110.8° |
| C5D | C4D | H4D | 113.7° | 110.6° |
| C4D | C5D | O5D | 108.7° | 109.5° |
| C4D | C5D | H5D | 109.7° | 109.5° |
| C4D | C5D | H5DA | 109.7° | 109.5° |
| C5I | C4I | C9I | 108.4° | 105.9° |
| C4I | C5I | C6I | 116.7° | 118.1° |
| C4I | C5I | N7I | 107.7° | 107.3° |
| C4I | C9I | C6C | 125.5° | 126.5° |
| C4I | C9I | C8I | 104.0° | 107.1° |
| N9N | C4N | C5N | 107.1° | 106.1° |
| C4N | N9N | C8N | 106.7° | 107.4° |
| C4N | C5N | C6N | 117.4° | 118.6° |
| C4N | C5N | N7N | 107.1° | 107.2° |
| O5B | C5B | H5B | 108.9° | 109.5° |
| O5B | C5B | H5BA | 108.9° | 109.4° |
| H5B | C5B | H5BA | 110.0° | 109.5° |
| O5C | C5C | H5C | 109.5° | 109.4° |
| O5C | C5C | H5CA | 109.5° | 109.5° |
| H5C | C5C | H5CA | 109.4° | 109.5° |
| O5D | C5D | H5D | 109.7° | 109.5° |
| O5D | C5D | H5DA | 109.7° | 109.5° |
| H5D | C5D | H5DA | 109.3° | 109.4° |
| C6I | C5I | N7I | 135.7° | 134.6° |
| C5I | C6I | N6I | 121.4° | 120.7° |
| C5I | N7I | C8I | 111.2° | 109.8° |
| C5I | N7I | HN7I | 124.4° | 125.1° |
| C6N | C5N | N7N | 135.5° | 134.1° |
| C5N | C6N | O6N | 120.5° | 120.8° |
| C5N | N7N | C8N | 106.2° | 109.3° |
| C9I | C6C | H6C | 106.4° | 109.4° |
| C9I | C6C | H6CA | 106.3° | 109.5° |
| C6C | C9I | C8I | 130.5° | 126.5° |
| H6C | C6C | H6CA | 112.4° | 109.5° |
| H6D | C6D | H6DA | 109.4° | 109.5° |
| H6D | C6D | H6DB | 109.5° | 109.5° |
| H6DA | C6D | H6DB | 109.5° | 109.5° |
| C6I | N6I | HN6I | 109.5° | 120.0° |
| C6I | N6I | HN6A | 109.5° | 120.0° |
| HN6I | N6I | HN6A | 109.4° | 120.0° |
| H7C | C7C | H7CA | 107.9° | 110.7° |
| N7I | C8I | C9I | 108.7° | 109.9° |
| N7I | C8I | H8I | 125.6° | 125.1° |
| C8I | N7I | HN7I | 124.4° | 125.1° |
| N7N | C8N | N9N | 112.9° | 109.9° |
| N7N | C8N | H8N | 123.5° | 125.1° |
| C9I | C8I | H8I | 125.6° | 125.1° |
| N9N | C8N | H8N | 123.6° | 125.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1V | PV | O3E | O5C | 117.3° | 120.0° |
| O1V | PV | O3E | O2V | 129.0° | 120.0° |
| O1V | PV | O5C | O2V | 132.7° | 120.0° |
| O1V | PV | O3E | C1A | 170.8° | 55.0° |
| O1V | PV | O2V | HO2V | 0.0° | 180.0° |
| O1V | PV | O5C | C5C | 21.3° | 55.0° |
| O3E | PV | O5C | O2V | 114.5° | 120.0° |
| PV | O3E | C1A | C2A | 168.6° | 180.0° |
| PV | O3E | C1A | H1A | 71.4° | 60.0° |
| PV | O3E | C1A | H1AA | 48.6° | 60.0° |
| O3E | PV | O2V | HO2V | 120.4° | 60.0° |
| O3E | PV | O5C | C5C | 91.4° | 175.0° |
| O5C | PV | O3E | C1A | 71.9° | 175.0° |
| O5C | PV | O2V | HO2V | 128.3° | 60.0° |
| PV | O5C | C5C | C4C | 110.9° | 180.0° |
| PV | O5C | C5C | H5C | 129.1° | 60.0° |
| PV | O5C | C5C | H5CA | 9.1° | 60.0° |
| O2V | PV | O3E | C1A | 41.8° | 65.0° |
| O2V | PV | O5C | C5C | 154.1° | 65.0° |
| O5D | PY | O3C | O2Y | 123.8° | 119.9° |
| O5D | PY | O3C | O1Y | 103.8° | 120.0° |
| O5D | PY | O2Y | O1Y | 118.4° | 120.0° |
| O5D | PY | O1Y | HO1Y | 126.9° | 60.0° |
| O5D | PY | O3C | C3C | 91.8° | 175.0° |
| PY | O5D | C5D | C4D | 152.4° | 180.0° |
| PY | O5D | C5D | H5D | 87.6° | 60.0° |
| PY | O5D | C5D | H5DA | 32.4° | 60.0° |
| O3C | PY | O2Y | O1Y | 126.4° | 120.0° |
| O3C | PY | O1Y | HO1Y | 127.3° | 60.0° |
| PY | O3C | C3C | C2C | 157.4° | 121.5° |
| PY | O3C | C3C | C4C | 86.4° | 122.8° |
| PY | O3C | C3C | H3C | 34.9° | 0.6° |
| O3C | PY | O5D | C5D | 93.3° | 175.0° |
| O2Y | PY | O1Y | HO1Y | 0.0° | 179.9° |
| O2Y | PY | O3C | C3C | 32.0° | 55.1° |
| O2Y | PY | O5D | C5D | 26.5° | 55.0° |
| O1Y | PY | O3C | C3C | 164.3° | 65.0° |
| O1Y | PY | O5D | C5D | 155.6° | 65.0° |
| O3D | PZ | O1Z | O5B | 112.9° | 120.0° |
| O3D | PZ | O1Z | O2Z | 121.4° | 120.0° |
| O3D | PZ | O5B | O2Z | 114.6° | 120.0° |
| PZ | O3D | C3D | C2D | 138.1° | 120.0° |
| O3D | PZ | O2Z | HO2Z | 119.5° | 60.1° |
| PZ | O3D | C3D | C4D | 98.3° | 127.3° |
| PZ | O3D | C3D | H3D | 23.0° | 3.6° |
| O3D | PZ | O5B | C5B | 96.6° | 175.0° |
| O1Z | PZ | O5B | O2Z | 132.6° | 120.0° |
| O1Z | PZ | O2Z | HO2Z | 0.0° | 180.0° |
| O1Z | PZ | O3D | C3D | 160.8° | 55.0° |
| O1Z | PZ | O5B | C5B | 16.3° | 55.0° |
| O5B | PZ | O2Z | HO2Z | 128.5° | 60.0° |
| O5B | PZ | O3D | C3D | 42.5° | 175.0° |
| PZ | O5B | C5B | C4B | 71.7° | 180.0° |
| PZ | O5B | C5B | H5B | 48.3° | 60.0° |
| PZ | O5B | C5B | H5BA | 168.3° | 60.0° |
| O2Z | PZ | O3D | C3D | 70.7° | 65.0° |
| O2Z | PZ | O5B | C5B | 148.9° | 65.0° |
| O3E | C1A | C2A | H1A | 120.0° | 120.0° |
| O3E | C1A | C2A | H1AA | 120.0° | 120.0° |
| O3E | C1A | H1A | H1AA | 121.2° | 120.0° |
| O3E | C1A | C2A | C3A | 143.9° | 180.0° |
| O3E | C1A | C2A | H2A | 23.9° | 60.0° |
| O3E | C1A | C2A | H2AA | 96.1° | 60.0° |
| C2A | C1A | H1A | H1AA | 121.2° | 120.0° |
| C1A | C2A | C3A | H2A | 120.0° | 120.0° |
| C1A | C2A | C3A | H2AA | 120.0° | 120.0° |
| C1A | C2A | H2A | H2AA | 119.0° | 120.0° |
| C1A | C2A | C3A | O59 | 52.0° | 180.0° |
| C1A | C2A | C3A | H3A | 68.0° | 60.0° |
| C1A | C2A | C3A | H3AA | 172.0° | 60.0° |
| H1A | C1A | C2A | C3A | 96.0° | 60.0° |
| H1A | C1A | C2A | H2A | 143.9° | 60.0° |
| H1A | C1A | C2A | H2AA | 24.0° | 179.9° |
| H1AA | C1A | C2A | C3A | 23.9° | 60.0° |
| H1AA | C1A | C2A | H2A | 96.1° | 180.0° |
| H1AA | C1A | C2A | H2AA | 143.9° | 60.0° |
| C6C | N1C | C2C | C7C | 129.1° | 120.5° |
| C6C | N1C | C2C | C3C | 163.5° | 145.8° |
| C6C | N1C | C2C | H2C | 76.5° | 94.7° |
| C6C | N1C | C2C | H2CA | 43.5° | 26.5° |
| C6C | N1C | C7C | C4C | 161.7° | 159.7° |
| N1C | C6C | C9I | C4I | 126.7° | 80.0° |
| N1C | C6C | C9I | H6C | 120.0° | 120.1° |
| N1C | C6C | C9I | H6CA | 120.0° | 119.9° |
| N1C | C6C | H6C | H6CA | 116.0° | 120.0° |
| C6C | N1C | C7C | H7C | 41.7° | 41.3° |
| C6C | N1C | C7C | H7CA | 78.3° | 81.8° |
| N1C | C6C | C9I | C8I | 54.3° | 100.0° |
| N1C | C2C | C3C | H2C | 120.0° | 119.4° |
| N1C | C2C | C3C | H2CA | 120.0° | 119.3° |
| N1C | C2C | H2C | H2CA | 122.0° | 121.1° |
| N1C | C2C | C3C | O3C | 96.8° | 117.7° |
| N1C | C2C | C3C | C4C | 22.6° | 1.2° |
| N1C | C2C | C3C | H3C | 143.7° | 120.2° |
| C2C | N1C | C7C | C4C | 32.5° | 39.2° |
| C2C | N1C | C6C | C9I | 66.3° | 72.6° |
| C2C | N1C | C6C | H6C | 53.7° | 167.4° |
| C2C | N1C | C6C | H6CA | 173.7° | 47.4° |
| C2C | N1C | C7C | H7C | 87.5° | 79.3° |
| C2C | N1C | C7C | H7CA | 152.5° | 157.6° |
| C7C | N1C | C2C | C3C | 34.5° | 25.3° |
| C7C | N1C | C2C | H2C | 154.5° | 144.7° |
| C7C | N1C | C2C | H2CA | 85.5° | 94.1° |
| N1C | C7C | C4C | C3C | 17.5° | 37.4° |
| N1C | C7C | C4C | H7C | 120.0° | 118.5° |
| N1C | C7C | C4C | H7CA | 120.0° | 118.4° |
| N1C | C7C | C4C | C5C | 140.8° | 155.8° |
| N1C | C7C | C4C | H4C | 102.1° | 81.0° |
| C7C | N1C | C6C | C9I | 58.5° | 170.0° |
| C7C | N1C | C6C | H6C | 178.5° | 50.0° |
| C7C | N1C | C6C | H6CA | 61.5° | 70.0° |
| N1C | C7C | H7C | H7CA | 121.8° | 123.0° |
| C2D | C1D | N9N | O4D | 117.8° | 117.8° |
| C2D | C1D | N9N | H1D | 119.6° | 121.0° |
| C2D | C1D | O4D | H1D | 119.6° | 119.5° |
| C1D | C2D | O2D | C3D | 111.1° | 114.8° |
| C1D | C2D | O2D | H2D | 125.2° | 122.7° |
| C1D | C2D | C3D | H2D | 124.5° | 118.7° |
| C1D | C2D | O2D | C6D | 138.4° | 91.4° |
| C1D | C2D | C3D | O3D | 149.1° | 139.1° |
| C1D | C2D | C3D | C4D | 25.0° | 20.9° |
| C1D | C2D | C3D | H3D | 96.4° | 97.4° |
| C2D | C1D | O4D | C4D | 25.4° | 26.5° |
| C2D | C1D | N9N | C4N | 100.5° | 85.0° |
| C2D | C1D | N9N | C8N | 82.5° | 95.0° |
| N9N | C1D | O4D | H1D | 118.2° | 121.1° |
| N9N | C1D | C2D | O2D | 152.5° | 119.9° |
| N9N | C1D | C2D | C3D | 89.3° | 121.4° |
| N9N | C1D | C2D | H2D | 33.5° | 2.7° |
| C1D | N9N | C4N | N3N | 1.2° | 0.1° |
| N9N | C1D | O4D | C4D | 96.9° | 145.9° |
| C1D | N9N | C4N | C8N | 177.6° | 180.0° |
| C1D | N9N | C4N | C5N | 178.1° | 180.0° |
| C1D | N9N | C8N | N7N | 178.7° | 180.0° |
| C1D | N9N | C8N | H8N | 1.3° | 0.1° |
| O4D | C1D | C2D | O2D | 88.3° | 120.7° |
| O4D | C1D | C2D | C3D | 29.9° | 2.1° |
| O4D | C1D | C2D | H2D | 152.7° | 116.6° |
| C1D | O4D | C4D | C3D | 8.8° | 40.1° |
| C1D | O4D | C4D | C5D | 97.8° | 158.6° |
| C1D | O4D | C4D | H4D | 136.7° | 78.5° |
| O4D | C1D | N9N | C4N | 141.7° | 157.2° |
| O4D | C1D | N9N | C8N | 35.3° | 22.8° |
| H1D | C1D | C2D | O2D | 34.3° | 1.1° |
| H1D | C1D | C2D | C3D | 152.5° | 117.5° |
| H1D | C1D | C2D | H2D | 84.7° | 123.8° |
| H1D | C1D | O4D | C4D | 145.0° | 93.0° |
| H1D | C1D | N9N | C4N | 19.1° | 36.0° |
| H1D | C1D | N9N | C8N | 157.9° | 144.0° |
| N1I | C2I | N3I | H2I | 180.0° | 180.0° |
| N1I | C2I | N3I | C4I | 0.5° | 0.1° |
| C2I | N1I | C6I | C5I | 0.7° | 0.0° |
| C2I | N1I | C6I | N6I | 179.8° | 180.0° |
| C6I | N1I | C2I | N3I | 0.6° | 0.0° |
| C6I | N1I | C2I | H2I | 179.4° | 180.0° |
| N1I | C6I | C5I | C4I | 0.7° | 0.0° |
| N1I | C6I | C5I | N6I | 179.1° | 179.9° |
| N1I | C6I | C5I | N7I | 179.5° | 179.9° |
| N1I | C6I | N6I | HN6I | 0.0° | 0.1° |
| N1I | C6I | N6I | HN6A | 120.0° | 179.9° |
| C2N | N1N | C6N | HN1N | 180.0° | 179.7° |
| N1N | C2N | N2N | N3N | 179.9° | 179.9° |
| N1N | C2N | N2N | HN2N | 179.9° | 0.1° |
| N1N | C2N | N2N | HN2A | 0.1° | 180.0° |
| N1N | C2N | N3N | C4N | 0.7° | 0.0° |
| C2N | N1N | C6N | C5N | 0.7° | 0.0° |
| C2N | N1N | C6N | O6N | 179.7° | 179.7° |
| C6N | N1N | C2N | N2N | 179.9° | 180.0° |
| C6N | N1N | C2N | N3N | 0.0° | 0.0° |
| N1N | C6N | C5N | C4N | 0.6° | 0.0° |
| N1N | C6N | C5N | O6N | 179.7° | 179.7° |
| N1N | C6N | C5N | N7N | 179.8° | 180.0° |
| HN1N | N1N | C2N | N2N | 0.1° | 0.2° |
| HN1N | N1N | C2N | N3N | 180.0° | 179.7° |
| HN1N | N1N | C6N | C5N | 179.4° | 179.7° |
| HN1N | N1N | C6N | O6N | 0.3° | 0.0° |
| C3A | C2A | H2A | H2AA | 119.0° | 120.0° |
| C2A | C3A | O59 | H3A | 120.0° | 120.0° |
| C2A | C3A | O59 | H3AA | 120.0° | 120.0° |
| C2A | C3A | H3A | H3AA | 120.1° | 120.0° |
| C2A | C3A | O59 | HO59 | 180.0° | 180.0° |
| H2A | C2A | C3A | O59 | 172.0° | 60.0° |
| H2A | C2A | C3A | H3A | 51.9° | 179.9° |
| H2A | C2A | C3A | H3AA | 68.0° | 60.0° |
| H2AA | C2A | C3A | O59 | 68.1° | 60.0° |
| H2AA | C2A | C3A | H3A | 171.9° | 59.9° |
| H2AA | C2A | C3A | H3AA | 51.9° | 180.0° |
| O60 | C2B | C3B | H2B | 120.0° | 120.0° |
| O60 | C2B | C3B | H2BA | 120.0° | 120.0° |
| O60 | C2B | H2B | H2BA | 119.7° | 120.0° |
| O60 | C2B | C3B | C4B | 77.2° | 180.0° |
| O60 | C2B | C3B | H3B | 42.8° | 60.0° |
| O60 | C2B | C3B | H3BA | 162.8° | 60.0° |
| C3B | C2B | H2B | H2BA | 119.7° | 120.0° |
| C2B | C3B | C4B | H3B | 120.0° | 120.0° |
| C2B | C3B | C4B | H3BA | 120.0° | 120.0° |
| C2B | C3B | H3B | H3BA | 118.0° | 119.9° |
| C2B | C3B | C4B | C5B | 134.8° | 180.0° |
| C2B | C3B | C4B | H4B | 14.8° | 60.0° |
| C2B | C3B | C4B | H4BA | 105.2° | 60.0° |
| C3B | C2B | O60 | HO60 | 180.0° | 180.0° |
| H2B | C2B | C3B | C4B | 162.8° | 60.0° |
| H2B | C2B | C3B | H3B | 77.2° | 60.0° |
| H2B | C2B | C3B | H3BA | 42.8° | 180.0° |
| H2B | C2B | O60 | HO60 | 60.0° | 60.0° |
| H2BA | C2B | C3B | C4B | 42.8° | 60.0° |
| H2BA | C2B | C3B | H3B | 162.8° | 180.0° |
| H2BA | C2B | C3B | H3BA | 77.2° | 60.0° |
| H2BA | C2B | O60 | HO60 | 60.0° | 60.1° |
| C3C | C2C | H2C | H2CA | 122.0° | 121.2° |
| C2C | C3C | O3C | C4C | 116.3° | 115.7° |
| C2C | C3C | O3C | H3C | 122.4° | 122.1° |
| C2C | C3C | C4C | H3C | 122.3° | 119.0° |
| C2C | C3C | C4C | C7C | 3.1° | 22.0° |
| C2C | C3C | C4C | C5C | 118.2° | 140.3° |
| C2C | C3C | C4C | H4C | 124.8° | 96.6° |
| H2C | C2C | C3C | O3C | 23.2° | 1.7° |
| H2C | C2C | C3C | C4C | 142.6° | 120.6° |
| H2C | C2C | C3C | H3C | 96.3° | 120.4° |
| H2CA | C2C | C3C | O3C | 143.2° | 123.0° |
| H2CA | C2C | C3C | C4C | 97.4° | 118.1° |
| H2CA | C2C | C3C | H3C | 23.7° | 0.9° |
| O2D | C2D | C3D | H2D | 119.2° | 122.6° |
| O2D | C2D | C3D | O3D | 32.9° | 20.4° |
| O2D | C2D | C3D | C4D | 91.3° | 97.8° |
| O2D | C2D | C3D | H3D | 147.3° | 143.9° |
| C2D | O2D | C6D | H6D | 180.0° | 180.0° |
| C2D | O2D | C6D | H6DA | 60.0° | 60.0° |
| C2D | O2D | C6D | H6DB | 60.0° | 60.0° |
| C3D | C2D | O2D | C6D | 110.5° | 153.8° |
| C2D | C3D | O3D | C4D | 123.5° | 112.7° |
| C2D | C3D | O3D | H3D | 115.2° | 123.6° |
| C2D | C3D | C4D | H3D | 116.1° | 118.2° |
| C2D | C3D | C4D | O4D | 11.0° | 37.0° |
| C2D | C3D | C4D | C5D | 125.2° | 155.5° |
| C2D | C3D | C4D | H4D | 111.0° | 81.6° |
| H2D | C2D | O2D | C6D | 13.3° | 31.2° |
| H2D | C2D | C3D | O3D | 86.4° | 102.2° |
| H2D | C2D | C3D | C4D | 149.5° | 139.6° |
| H2D | C2D | C3D | H3D | 28.1° | 21.3° |
| O2D | C6D | H6D | H6DA | 120.0° | 120.0° |
| O2D | C6D | H6D | H6DB | 120.0° | 120.0° |
| O2D | C6D | H6DA | H6DB | 120.0° | 120.0° |
| C2I | N3I | C4I | C5I | 0.6° | 0.1° |
| C2I | N3I | C4I | C9I | 179.5° | 179.9° |
| H2I | C2I | N3I | C4I | 179.4° | 179.9° |
| C2N | N2N | HN2N | HN2A | 180.0° | 179.8° |
| N2N | C2N | N3N | C4N | 179.2° | 179.9° |
| N3N | C2N | N2N | HN2N | 0.0° | 180.0° |
| N3N | C2N | N2N | HN2A | 180.0° | 0.1° |
| C2N | N3N | C4N | N9N | 180.0° | 180.0° |
| C2N | N3N | C4N | C5N | 0.7° | 0.0° |
| O59 | C3A | H3A | H3AA | 120.1° | 120.0° |
| H3A | C3A | O59 | HO59 | 60.0° | 60.0° |
| H3AA | C3A | O59 | HO59 | 60.0° | 60.0° |
| C4B | C3B | H3B | H3BA | 118.1° | 120.1° |
| C3B | C4B | C5B | H4B | 120.0° | 120.0° |
| C3B | C4B | C5B | H4BA | 120.0° | 119.9° |
| C3B | C4B | H4B | H4BA | 119.3° | 120.0° |
| C3B | C4B | C5B | O5B | 90.8° | 180.0° |
| C3B | C4B | C5B | H5B | 29.2° | 60.0° |
| C3B | C4B | C5B | H5BA | 149.2° | 60.1° |
| H3B | C3B | C4B | C5B | 105.2° | 60.0° |
| H3B | C3B | C4B | H4B | 134.8° | 180.0° |
| H3B | C3B | C4B | H4BA | 14.8° | 60.0° |
| H3BA | C3B | C4B | C5B | 14.8° | 60.1° |
| H3BA | C3B | C4B | H4B | 105.2° | 60.0° |
| H3BA | C3B | C4B | H4BA | 134.8° | 180.0° |
| O3C | C3C | C4C | H3C | 119.5° | 122.1° |
| O3C | C3C | C4C | C7C | 115.1° | 140.9° |
| O3C | C3C | C4C | C5C | 123.6° | 100.8° |
| O3C | C3C | C4C | H4C | 6.6° | 22.3° |
| C3C | C4C | C7C | C5C | 123.3° | 118.3° |
| C3C | C4C | C7C | H4C | 119.6° | 118.5° |
| C3C | C4C | C5C | H4C | 119.4° | 123.1° |
| C3C | C4C | C5C | O5C | 175.8° | 175.0° |
| C3C | C4C | C5C | H5C | 55.8° | 55.0° |
| C3C | C4C | C5C | H5CA | 64.2° | 65.0° |
| C3C | C4C | C7C | H7C | 102.5° | 81.0° |
| C3C | C4C | C7C | H7CA | 137.5° | 155.8° |
| H3C | C3C | C4C | C7C | 125.4° | 97.0° |
| H3C | C3C | C4C | C5C | 4.1° | 21.3° |
| H3C | C3C | C4C | H4C | 112.9° | 144.4° |
| O3D | C3D | C4D | H3D | 115.3° | 123.6° |
| O3D | C3D | C4D | O4D | 139.6° | 155.2° |
| O3D | C3D | C4D | C5D | 106.2° | 86.3° |
| O3D | C3D | C4D | H4D | 17.6° | 36.5° |
| C3D | C4D | O4D | C5D | 106.6° | 118.5° |
| C3D | C4D | O4D | H4D | 127.8° | 118.5° |
| C3D | C4D | C5D | H4D | 127.0° | 122.8° |
| C3D | C4D | C5D | O5D | 149.2° | 175.0° |
| C3D | C4D | C5D | H5D | 29.2° | 55.0° |
| C3D | C4D | C5D | H5DA | 90.8° | 65.0° |
| H3D | C3D | C4D | O4D | 105.1° | 81.2° |
| H3D | C3D | C4D | C5D | 9.1° | 37.3° |
| H3D | C3D | C4D | H4D | 132.9° | 160.1° |
| N3I | C4I | C5I | C9I | 179.1° | 180.0° |
| N3I | C4I | C5I | C6I | 0.7° | 0.1° |
| N3I | C4I | C5I | N7I | 179.5° | 180.0° |
| N3I | C4I | C9I | C6C | 1.0° | 0.1° |
| N3I | C4I | C9I | C8I | 179.8° | 179.9° |
| N3N | C4N | N9N | C5N | 179.3° | 179.9° |
| N3N | C4N | C5N | C6N | 0.1° | 0.0° |
| N3N | C4N | C5N | N7N | 179.7° | 180.0° |
| N3N | C4N | N9N | C8N | 178.7° | 180.0° |
| C5B | C4B | H4B | H4BA | 119.3° | 120.0° |
| C4B | C5B | O5B | H5B | 120.0° | 120.0° |
| C4B | C5B | O5B | H5BA | 120.0° | 119.9° |
| C4B | C5B | H5B | H5BA | 119.3° | 120.0° |
| H4B | C4B | C5B | O5B | 149.2° | 60.0° |
| H4B | C4B | C5B | H5B | 90.8° | 180.0° |
| H4B | C4B | C5B | H5BA | 29.3° | 60.0° |
| H4BA | C4B | C5B | O5B | 29.2° | 60.1° |
| H4BA | C4B | C5B | H5B | 149.2° | 60.0° |
| H4BA | C4B | C5B | H5BA | 90.8° | 180.0° |
| C7C | C4C | C5C | H4C | 121.6° | 123.4° |
| C7C | C4C | C5C | O5C | 65.2° | 71.5° |
| C7C | C4C | C5C | H5C | 174.8° | 168.5° |
| C7C | C4C | C5C | H5CA | 54.8° | 48.5° |
| C4C | C7C | H7C | H7CA | 121.9° | 123.1° |
| C4C | C5C | O5C | H5C | 120.0° | 120.0° |
| C4C | C5C | O5C | H5CA | 120.0° | 120.0° |
| C4C | C5C | H5C | H5CA | 120.1° | 120.0° |
| C5C | C4C | C7C | H7C | 20.8° | 37.3° |
| C5C | C4C | C7C | H7CA | 99.2° | 85.9° |
| H4C | C4C | C5C | O5C | 56.4° | 51.9° |
| H4C | C4C | C5C | H5C | 63.6° | 68.1° |
| H4C | C4C | C5C | H5CA | 176.4° | 171.9° |
| H4C | C4C | C7C | H7C | 137.9° | 160.5° |
| H4C | C4C | C7C | H7CA | 17.9° | 37.4° |
| O4D | C4D | C5D | H4D | 123.0° | 123.1° |
| O4D | C4D | C5D | O5D | 100.8° | 70.9° |
| O4D | C4D | C5D | H5D | 139.2° | 169.1° |
| O4D | C4D | C5D | H5DA | 19.2° | 49.1° |
| C4D | C5D | O5D | H5D | 120.0° | 120.0° |
| C4D | C5D | O5D | H5DA | 120.0° | 120.0° |
| C4D | C5D | H5D | H5DA | 120.3° | 120.0° |
| H4D | C4D | C5D | O5D | 22.2° | 52.2° |
| H4D | C4D | C5D | H5D | 97.8° | 67.8° |
| H4D | C4D | C5D | H5DA | 142.2° | 172.2° |
| C4I | C5I | C6I | N7I | 179.8° | 179.9° |
| C5I | C4I | C9I | C6C | 180.0° | 180.0° |
| C4I | C5I | C6I | N6I | 179.8° | 180.0° |
| C4I | C5I | N7I | C8I | 0.1° | 0.1° |
| C5I | C4I | C9I | C8I | 0.8° | 0.0° |
| C4I | C5I | N7I | HN7I | 179.8° | 180.0° |
| C9I | C4I | C5I | C6I | 179.7° | 180.0° |
| C9I | C4I | C5I | N7I | 0.4° | 0.1° |
| C4I | C9I | C6C | C8I | 179.0° | 180.0° |
| C4I | C9I | C6C | H6C | 6.7° | 40.0° |
| C4I | C9I | C6C | H6CA | 113.2° | 160.0° |
| C4I | C9I | C8I | N7I | 0.8° | 0.1° |
| C4I | C9I | C8I | H8I | 179.2° | 179.9° |
| N9N | C4N | C5N | C6N | 179.6° | 180.0° |
| N9N | C4N | C5N | N7N | 0.2° | 0.0° |
| C4N | N9N | C8N | N7N | 1.2° | 0.0° |
| C4N | N9N | C8N | H8N | 178.8° | 180.0° |
| C4N | C5N | C6N | N7N | 179.7° | 180.0° |
| C4N | C5N | C6N | O6N | 179.8° | 179.7° |
| C4N | C5N | N7N | C8N | 0.9° | 0.0° |
| C5N | C4N | N9N | C8N | 0.6° | 0.0° |
| O5B | C5B | H5B | H5BA | 119.3° | 120.0° |
| O5C | C5C | H5C | H5CA | 120.1° | 120.0° |
| O5D | C5D | H5D | H5DA | 120.3° | 120.0° |
| C5I | C6I | N6I | HN6I | 179.1° | 180.0° |
| C5I | C6I | N6I | HN6A | 60.9° | 0.0° |
| C6I | C5I | N7I | C8I | 179.7° | 180.0° |
| C6I | C5I | N7I | HN7I | 0.3° | 0.1° |
| N7I | C5I | C6I | N6I | 0.4° | 0.1° |
| C5I | N7I | C8I | HN7I | 180.0° | 179.9° |
| C5I | N7I | C8I | C9I | 0.6° | 0.1° |
| C5I | N7I | C8I | H8I | 179.4° | 180.0° |
| C6N | C5N | N7N | C8N | 178.8° | 180.0° |
| N7N | C5N | C6N | O6N | 0.1° | 0.3° |
| C5N | N7N | C8N | N9N | 1.4° | 0.0° |
| C5N | N7N | C8N | H8N | 178.6° | 180.0° |
| C9I | C6C | H6C | H6CA | 116.0° | 120.0° |
| C6C | C9I | C8I | N7I | 180.0° | 179.9° |
| C6C | C9I | C8I | H8I | 0.0° | 0.1° |
| H6C | C6C | C9I | C8I | 174.3° | 140.0° |
| H6CA | C6C | C9I | C8I | 65.8° | 20.0° |
| H6D | C6D | H6DA | H6DB | 120.0° | 120.1° |
| C6I | N6I | HN6I | HN6A | 120.0° | 180.0° |
| N7I | C8I | C9I | H8I | 180.0° | 179.9° |
| N7N | C8N | N9N | H8N | 180.0° | 180.0° |
| C9I | C8I | N7I | HN7I | 179.3° | 180.0° |
| H8I | C8I | N7I | HN7I | 0.6° | 0.1° |
