4KX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O9A | P3D | sing | 1.61Å | 1.54Å | |
| O8A | P3D | sing | 1.61Å | 1.53Å | |
| P3D | O7A | doub | 1.48Å | 1.49Å | |
| P3D | O3D | sing | 1.61Å | 1.62Å | |
| O3D | C3D | sing | 1.43Å | 1.44Å | |
| O2D | C2D | sing | 1.43Å | 1.42Å | |
| C3D | C2D | sing | 1.55Å | 1.53Å | |
| C3D | C4D | sing | 1.54Å | 1.53Å | |
| C2D | C1D | sing | 1.54Å | 1.53Å | |
| C1D | O4D | sing | 1.44Å | 1.42Å | |
| C1D | N9A | sing | 1.47Å | 1.46Å | |
| N3A | C2A | doub | 1.32Å | 1.34Å | Aromatic |
| N3A | C4A | sing | 1.33Å | 1.34Å | Aromatic |
| C4D | O4D | sing | 1.44Å | 1.44Å | |
| C4D | C5D | sing | 1.53Å | 1.51Å | |
| C2A | N1A | sing | 1.32Å | 1.34Å | Aromatic |
| N9A | C4A | sing | 1.37Å | 1.38Å | Aromatic |
| N9A | C8A | sing | 1.36Å | 1.37Å | Aromatic |
| C4A | C5M | doub | 1.41Å | 1.38Å | Aromatic |
| O2A | P1A | doub | 1.48Å | 1.49Å | |
| C5D | O5D | sing | 1.43Å | 1.45Å | |
| O5D | P1A | sing | 1.61Å | 1.60Å | |
| N1A | C6A | doub | 1.33Å | 1.35Å | Aromatic |
| C8A | N7A | doub | 1.30Å | 1.31Å | Aromatic |
| P1A | O1A | sing | 1.61Å | 1.53Å | |
| P1A | O3A | sing | 1.61Å | 1.59Å | |
| C5M | C6A | sing | 1.41Å | 1.41Å | Aromatic |
| C5M | N7A | sing | 1.35Å | 1.39Å | Aromatic |
| C6A | N6A | sing | 1.38Å | 1.33Å | |
| O4A | P2A | doub | 1.48Å | 1.48Å | |
| O3A | P2A | sing | 1.61Å | 1.59Å | |
| P2A | O5A | sing | 1.61Å | 1.54Å | |
| P2A | O6A | sing | 1.61Å | 1.58Å | |
| O6A | CCP | sing | 1.43Å | 1.43Å | |
| CCP | CBP | sing | 1.53Å | 1.53Å | |
| CEP | CBP | sing | 1.53Å | 1.53Å | |
| CDP | CBP | sing | 1.53Å | 1.53Å | |
| CBP | CAP | sing | 1.53Å | 1.55Å | |
| O5P | C5P | doub | 1.21Å | 1.23Å | |
| O9P | C9P | doub | 1.21Å | 1.23Å | |
| CAP | C9P | sing | 1.51Å | 1.52Å | |
| CAP | OAP | sing | 1.43Å | 1.41Å | |
| C9P | N8P | sing | 1.35Å | 1.33Å | |
| C6P | C5P | sing | 1.51Å | 1.51Å | |
| C6P | C7P | sing | 1.53Å | 1.51Å | |
| C5P | N4P | sing | 1.35Å | 1.33Å | |
| N8P | C7P | sing | 1.47Å | 1.46Å | |
| N4P | C3P | sing | 1.46Å | 1.46Å | |
| C3P | C2P | sing | 1.53Å | 1.52Å | |
| C2P | S1P | sing | 1.81Å | 1.82Å | |
| S1P | C1B | sing | 1.76Å | 1.76Å | |
| C3B | C4B | doub | 1.33Å | 1.32Å | |
| C3B | C2B | sing | 1.48Å | 1.43Å | |
| C4B | C5B | sing | 1.51Å | 1.49Å | |
| C1B | C2B | sing | 1.48Å | 1.47Å | |
| C1B | O57 | doub | 1.22Å | 1.21Å | |
| C2B | C7B | doub | 1.34Å | 1.34Å | |
| C5B | C6B | sing | 1.53Å | 1.52Å | |
| C7B | C6B | sing | 1.51Å | 1.50Å | |
| O1A | H14 | sing | 0.97Å | 0.95Å | |
| C1D | H1D | sing | 1.09Å | 1.10Å | |
| C2A | H2A | sing | 1.08Å | 1.08Å | |
| C2D | H2D | sing | 1.09Å | 1.10Å | |
| O2D | HO2D | sing | 0.97Å | 0.95Å | |
| C2P | H2PA | sing | 1.09Å | 1.10Å | |
| C2P | H2P | sing | 1.09Å | 1.10Å | |
| C3B | H3B | sing | 1.08Å | 1.08Å | |
| C3D | H3D | sing | 1.09Å | 1.10Å | |
| C3P | H3PA | sing | 1.09Å | 1.10Å | |
| C3P | H3P | sing | 1.09Å | 1.10Å | |
| C4B | H4B | sing | 1.08Å | 1.08Å | |
| C4D | H4D | sing | 1.09Å | 1.10Å | |
| N4P | HN4P | sing | 0.97Å | 1.00Å | |
| O5A | H13 | sing | 0.97Å | 0.95Å | |
| C5B | H5B | sing | 1.09Å | 1.10Å | |
| C5B | H39 | sing | 1.09Å | 1.10Å | |
| C5D | H5D | sing | 1.09Å | 1.10Å | |
| C5D | H5DA | sing | 1.09Å | 1.10Å | |
| N6A | HN6A | sing | 0.97Å | 1.00Å | |
| N6A | HN6B | sing | 0.97Å | 1.00Å | |
| C6B | H6B | sing | 1.09Å | 1.10Å | |
| C6B | H37 | sing | 1.09Å | 1.10Å | |
| C6P | H6P | sing | 1.09Å | 1.10Å | |
| C6P | H6PA | sing | 1.09Å | 1.10Å | |
| C7B | H7B | sing | 1.08Å | 1.08Å | |
| C7P | H7PA | sing | 1.09Å | 1.10Å | |
| C7P | H7P | sing | 1.09Å | 1.10Å | |
| C8A | H8A | sing | 1.08Å | 1.08Å | |
| O8A | H19 | sing | 0.97Å | 0.95Å | |
| N8P | HN8P | sing | 0.97Å | 1.00Å | |
| O9A | HO9A | sing | 0.97Å | 0.95Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| OAP | HOAP | sing | 0.97Å | 0.95Å | |
| CCP | HCPA | sing | 1.09Å | 1.10Å | |
| CCP | HCP | sing | 1.09Å | 1.10Å | |
| CDP | HDP | sing | 1.09Å | 1.10Å | |
| CDP | HDPA | sing | 1.09Å | 1.10Å | |
| CDP | HDPB | sing | 1.09Å | 1.10Å | |
| CEP | HEPB | sing | 1.09Å | 1.10Å | |
| CEP | HEPA | sing | 1.09Å | 1.10Å | |
| CEP | HEP | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O9A | P3D | O8A | 107.4° | 109.5° |
| O9A | P3D | O7A | 113.0° | 109.4° |
| O9A | P3D | O3D | 105.8° | 109.4° |
| P3D | O9A | HO9A | 109.5° | 114.0° |
| O8A | P3D | O7A | 113.3° | 109.5° |
| O8A | P3D | O3D | 106.1° | 109.5° |
| P3D | O8A | H19 | 109.5° | 114.0° |
| O7A | P3D | O3D | 110.7° | 109.5° |
| P3D | O3D | C3D | 125.9° | 123.0° |
| O3D | C3D | C2D | 112.5° | 110.5° |
| O3D | C3D | C4D | 110.5° | 110.5° |
| O3D | C3D | H3D | 111.1° | 110.5° |
| O2D | C2D | C3D | 111.3° | 110.7° |
| O2D | C2D | C1D | 112.2° | 110.5° |
| O2D | C2D | H2D | 112.0° | 110.4° |
| C2D | O2D | HO2D | 109.5° | 114.0° |
| C2D | C3D | C4D | 102.8° | 104.1° |
| C3D | C2D | C1D | 100.0° | 104.1° |
| C3D | C2D | H2D | 110.4° | 110.5° |
| C2D | C3D | H3D | 109.9° | 110.5° |
| C3D | C4D | O4D | 105.1° | 104.8° |
| C3D | C4D | C5D | 115.2° | 110.4° |
| C4D | C3D | H3D | 109.8° | 110.5° |
| C3D | C4D | H4D | 108.5° | 110.4° |
| C2D | C1D | O4D | 106.4° | 104.8° |
| C2D | C1D | N9A | 114.2° | 110.4° |
| C2D | C1D | H1D | 108.7° | 110.5° |
| C1D | C2D | H2D | 110.4° | 110.5° |
| O4D | C1D | N9A | 107.6° | 110.3° |
| C1D | O4D | C4D | 110.1° | 105.2° |
| O4D | C1D | H1D | 110.2° | 110.4° |
| C1D | N9A | C4A | 127.1° | 126.2° |
| C1D | N9A | C8A | 127.0° | 126.3° |
| N9A | C1D | H1D | 109.6° | 110.3° |
| C2A | N3A | C4A | 110.9° | 120.6° |
| N3A | C2A | N1A | 128.9° | 122.5° |
| N3A | C2A | H2A | 115.5° | 118.8° |
| N3A | C4A | N9A | 127.4° | 134.9° |
| N3A | C4A | C5M | 126.9° | 119.1° |
| O4D | C4D | C5D | 109.5° | 110.4° |
| O4D | C4D | H4D | 109.6° | 110.4° |
| C4D | C5D | O5D | 111.1° | 109.5° |
| C5D | C4D | H4D | 108.7° | 110.4° |
| C4D | C5D | H5D | 109.1° | 109.5° |
| C4D | C5D | H5DA | 109.1° | 109.5° |
| C2A | N1A | C6A | 118.9° | 121.2° |
| N1A | C2A | H2A | 115.6° | 118.7° |
| C4A | N9A | C8A | 105.8° | 107.4° |
| N9A | C4A | C5M | 105.6° | 106.0° |
| N9A | C8A | N7A | 114.2° | 110.0° |
| N9A | C8A | H8A | 122.9° | 124.9° |
| C4A | C5M | C6A | 116.9° | 118.2° |
| C4A | C5M | N7A | 111.0° | 107.1° |
| O2A | P1A | O5D | 114.0° | 109.5° |
| O2A | P1A | O1A | 112.6° | 109.5° |
| O2A | P1A | O3A | 108.8° | 109.4° |
| C5D | O5D | P1A | 125.2° | 123.0° |
| O5D | C5D | H5D | 109.1° | 109.4° |
| O5D | C5D | H5DA | 109.1° | 109.5° |
| O5D | P1A | O1A | 109.2° | 109.5° |
| O5D | P1A | O3A | 105.7° | 109.5° |
| N1A | C6A | C5M | 117.6° | 118.5° |
| N1A | C6A | N6A | 118.7° | 120.8° |
| C8A | N7A | C5M | 103.4° | 109.4° |
| N7A | C8A | H8A | 122.9° | 125.1° |
| O1A | P1A | O3A | 106.0° | 109.4° |
| P1A | O1A | H14 | 109.5° | 114.0° |
| P1A | O3A | P2A | 131.9° | 134.0° |
| C6A | C5M | N7A | 132.1° | 134.7° |
| C5M | C6A | N6A | 123.7° | 120.8° |
| C6A | N6A | HN6A | 109.5° | 120.0° |
| C6A | N6A | HN6B | 109.5° | 120.0° |
| O4A | P2A | O3A | 112.0° | 109.5° |
| O4A | P2A | O5A | 114.4° | 109.5° |
| O4A | P2A | O6A | 109.3° | 109.5° |
| O3A | P2A | O5A | 106.4° | 109.5° |
| O3A | P2A | O6A | 104.0° | 109.4° |
| O5A | P2A | O6A | 110.2° | 109.5° |
| P2A | O5A | H13 | 109.5° | 114.0° |
| P2A | O6A | CCP | 121.6° | 123.0° |
| O6A | CCP | CBP | 110.0° | 109.5° |
| O6A | CCP | HCPA | 109.3° | 109.5° |
| O6A | CCP | HCP | 109.3° | 109.5° |
| CCP | CBP | CEP | 109.1° | 109.5° |
| CCP | CBP | CDP | 109.2° | 109.5° |
| CCP | CBP | CAP | 108.2° | 109.5° |
| CBP | CCP | HCPA | 109.3° | 109.4° |
| CBP | CCP | HCP | 109.3° | 109.5° |
| CEP | CBP | CDP | 109.7° | 109.5° |
| CEP | CBP | CAP | 110.3° | 109.5° |
| CBP | CEP | HEPB | 109.5° | 109.5° |
| CBP | CEP | HEPA | 109.5° | 109.4° |
| CBP | CEP | HEP | 109.4° | 109.4° |
| CDP | CBP | CAP | 110.4° | 109.4° |
| CBP | CDP | HDP | 109.5° | 109.5° |
| CBP | CDP | HDPA | 109.5° | 109.4° |
| CBP | CDP | HDPB | 109.5° | 109.5° |
| CBP | CAP | C9P | 110.0° | 109.5° |
| CBP | CAP | OAP | 110.1° | 109.5° |
| CBP | CAP | HAP | 107.7° | 109.5° |
| O5P | C5P | C6P | 120.4° | 120.0° |
| O5P | C5P | N4P | 122.4° | 120.0° |
| O9P | C9P | CAP | 120.3° | 120.0° |
| O9P | C9P | N8P | 123.0° | 120.0° |
| C9P | CAP | OAP | 111.2° | 109.4° |
| CAP | C9P | N8P | 116.8° | 120.0° |
| C9P | CAP | HAP | 108.1° | 109.4° |
| OAP | CAP | HAP | 109.5° | 109.5° |
| CAP | OAP | HOAP | 109.5° | 114.0° |
| C9P | N8P | C7P | 122.2° | 120.0° |
| C9P | N8P | HN8P | 118.9° | 120.0° |
| C5P | C6P | C7P | 112.8° | 109.5° |
| C6P | C5P | N4P | 117.1° | 120.0° |
| C5P | C6P | H6P | 108.6° | 109.5° |
| C5P | C6P | H6PA | 108.6° | 109.4° |
| C6P | C7P | N8P | 111.6° | 109.5° |
| C7P | C6P | H6P | 108.7° | 109.5° |
| C7P | C6P | H6PA | 108.7° | 109.4° |
| C6P | C7P | H7PA | 108.9° | 109.5° |
| C6P | C7P | H7P | 108.9° | 109.4° |
| C5P | N4P | C3P | 122.6° | 120.0° |
| C5P | N4P | HN4P | 118.7° | 120.0° |
| N8P | C7P | H7PA | 108.9° | 109.5° |
| N8P | C7P | H7P | 108.9° | 109.5° |
| C7P | N8P | HN8P | 118.9° | 120.0° |
| N4P | C3P | C2P | 111.4° | 109.5° |
| N4P | C3P | H3PA | 109.0° | 109.5° |
| N4P | C3P | H3P | 109.0° | 109.5° |
| C3P | N4P | HN4P | 118.7° | 120.0° |
| C3P | C2P | S1P | 113.4° | 109.5° |
| C3P | C2P | H2PA | 108.5° | 109.4° |
| C3P | C2P | H2P | 108.5° | 109.5° |
| C2P | C3P | H3PA | 109.0° | 109.4° |
| C2P | C3P | H3P | 109.0° | 109.4° |
| C2P | S1P | C1B | 102.6° | 100.0° |
| S1P | C2P | H2PA | 108.5° | 109.5° |
| S1P | C2P | H2P | 108.5° | 109.5° |
| S1P | C1B | C2B | 114.6° | 120.0° |
| S1P | C1B | O57 | 121.7° | 120.0° |
| C4B | C3B | C2B | 120.4° | 119.7° |
| C3B | C4B | C5B | 125.8° | 120.4° |
| C4B | C3B | H3B | 119.8° | 120.2° |
| C3B | C4B | H4B | 117.1° | 119.8° |
| C3B | C2B | C1B | 122.6° | 120.3° |
| C3B | C2B | C7B | 119.8° | 119.5° |
| C2B | C3B | H3B | 119.8° | 120.1° |
| C4B | C5B | C6B | 114.2° | 110.1° |
| C5B | C4B | H4B | 117.1° | 119.8° |
| C4B | C5B | H5B | 108.3° | 109.4° |
| C4B | C5B | H39 | 108.3° | 109.4° |
| C2B | C1B | O57 | 123.7° | 120.0° |
| C1B | C2B | C7B | 117.6° | 120.3° |
| C2B | C7B | C6B | 124.7° | 119.9° |
| C2B | C7B | H7B | 117.7° | 120.0° |
| C5B | C6B | C7B | 114.9° | 110.0° |
| C6B | C5B | H5B | 108.3° | 109.3° |
| C6B | C5B | H39 | 108.3° | 109.4° |
| C5B | C6B | H6B | 108.1° | 109.4° |
| C5B | C6B | H37 | 108.1° | 109.4° |
| C7B | C6B | H6B | 108.1° | 109.5° |
| C7B | C6B | H37 | 108.1° | 109.1° |
| C6B | C7B | H7B | 117.6° | 120.1° |
| H2PA | C2P | H2P | 109.5° | 109.4° |
| H3PA | C3P | H3P | 109.5° | 109.5° |
| H5B | C5B | H39 | 109.5° | 109.3° |
| H5D | C5D | H5DA | 109.5° | 109.4° |
| HN6A | N6A | HN6B | 109.5° | 120.0° |
| H6B | C6B | H37 | 109.5° | 109.4° |
| H6P | C6P | H6PA | 109.5° | 109.5° |
| H7PA | C7P | H7P | 109.5° | 109.4° |
| HCPA | CCP | HCP | 109.4° | 109.5° |
| HDP | CDP | HDPA | 109.4° | 109.5° |
| HDP | CDP | HDPB | 109.4° | 109.5° |
| HDPA | CDP | HDPB | 109.5° | 109.5° |
| HEPB | CEP | HEPA | 109.4° | 109.5° |
| HEPB | CEP | HEP | 109.4° | 109.5° |
| HEPA | CEP | HEP | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O9A | P3D | O8A | O7A | 125.5° | 120.0° |
| O9A | P3D | O8A | O3D | 112.8° | 120.0° |
| O9A | P3D | O7A | O3D | 118.5° | 119.9° |
| O9A | P3D | O3D | C3D | 150.4° | 65.0° |
| O9A | P3D | O8A | H19 | 125.5° | 60.0° |
| O8A | P3D | O7A | O3D | 119.1° | 120.0° |
| O8A | P3D | O3D | C3D | 36.5° | 175.0° |
| O8A | P3D | O9A | HO9A | 125.7° | 59.9° |
| O7A | P3D | O3D | C3D | 86.9° | 54.9° |
| O7A | P3D | O8A | H19 | 0.0° | 60.0° |
| O7A | P3D | O9A | HO9A | 0.0° | 180.0° |
| P3D | O3D | C3D | C2D | 125.5° | 121.5° |
| P3D | O3D | C3D | C4D | 120.2° | 123.9° |
| P3D | O3D | C3D | H3D | 1.9° | 1.2° |
| O3D | P3D | O8A | H19 | 121.7° | 180.0° |
| O3D | P3D | O9A | HO9A | 121.3° | 60.1° |
| O3D | C3D | C2D | O2D | 38.0° | 0.1° |
| O3D | C3D | C2D | C4D | 118.8° | 118.7° |
| O3D | C3D | C2D | H3D | 124.3° | 122.7° |
| O3D | C3D | C4D | H3D | 122.8° | 122.7° |
| O3D | C3D | C2D | C1D | 80.7° | 118.7° |
| O3D | C3D | C4D | O4D | 91.2° | 142.6° |
| O3D | C3D | C4D | C5D | 148.2° | 98.5° |
| O3D | C3D | C2D | H2D | 163.0° | 122.7° |
| O3D | C3D | C4D | H4D | 26.0° | 23.8° |
| O2D | C2D | C3D | C1D | 118.7° | 118.7° |
| O2D | C2D | C3D | H2D | 125.0° | 122.7° |
| O2D | C2D | C3D | C4D | 156.9° | 118.7° |
| O2D | C2D | C1D | H2D | 125.6° | 122.5° |
| O2D | C2D | C1D | O4D | 153.1° | 142.8° |
| O2D | C2D | C1D | N9A | 88.4° | 98.4° |
| O2D | C2D | C1D | H1D | 34.4° | 23.9° |
| O2D | C2D | C3D | H3D | 86.3° | 122.6° |
| C2D | C3D | C4D | H3D | 116.9° | 118.7° |
| C3D | C2D | C1D | H2D | 116.3° | 118.6° |
| C3D | C2D | C1D | O4D | 35.1° | 24.0° |
| C3D | C2D | C1D | N9A | 153.6° | 142.8° |
| C2D | C3D | C4D | O4D | 29.1° | 24.0° |
| C2D | C3D | C4D | C5D | 91.5° | 142.8° |
| C3D | C2D | C1D | H1D | 83.7° | 94.9° |
| C3D | C2D | O2D | HO2D | 180.0° | 176.1° |
| C2D | C3D | C4D | H4D | 146.3° | 94.8° |
| C4D | C3D | C2D | C1D | 38.2° | 0.0° |
| C3D | C4D | O4D | C1D | 7.1° | 40.5° |
| C3D | C4D | O4D | C5D | 124.3° | 118.9° |
| C3D | C4D | O4D | H4D | 116.4° | 118.8° |
| C3D | C4D | C5D | H4D | 122.1° | 122.3° |
| C3D | C4D | C5D | O5D | 47.0° | 175.0° |
| C4D | C3D | C2D | H2D | 78.1° | 118.6° |
| C3D | C4D | C5D | H5D | 167.2° | 55.0° |
| C3D | C4D | C5D | H5DA | 73.3° | 65.0° |
| C2D | C1D | O4D | N9A | 122.8° | 118.8° |
| C2D | C1D | O4D | H1D | 117.7° | 119.0° |
| C2D | C1D | N9A | H1D | 122.3° | 122.4° |
| C2D | C1D | O4D | C4D | 18.0° | 40.5° |
| C2D | C1D | N9A | C4A | 135.0° | 88.2° |
| C2D | C1D | N9A | C8A | 49.7° | 91.9° |
| C1D | C2D | O2D | HO2D | 68.9° | 61.4° |
| C1D | C2D | C3D | H3D | 155.0° | 118.7° |
| O4D | C1D | N9A | H1D | 119.9° | 122.2° |
| C1D | O4D | C4D | C5D | 117.2° | 159.4° |
| O4D | C1D | N9A | C4A | 107.2° | 156.4° |
| O4D | C1D | N9A | C8A | 68.1° | 23.5° |
| O4D | C1D | C2D | H2D | 81.2° | 94.7° |
| C1D | O4D | C4D | H4D | 123.6° | 78.4° |
| C1D | N9A | C4A | N3A | 3.3° | 0.1° |
| N9A | C1D | O4D | C4D | 140.8° | 159.3° |
| C1D | N9A | C4A | C8A | 176.1° | 180.0° |
| C1D | N9A | C4A | C5M | 175.3° | 180.0° |
| C1D | N9A | C8A | N7A | 175.4° | 180.0° |
| N9A | C1D | C2D | H2D | 37.3° | 24.1° |
| C1D | N9A | C8A | H8A | 4.6° | 0.0° |
| N3A | C2A | N1A | H2A | 180.0° | 179.9° |
| C2A | N3A | C4A | N9A | 177.4° | 180.0° |
| C2A | N3A | C4A | C5M | 0.9° | 0.1° |
| N3A | C2A | N1A | C6A | 0.1° | 0.0° |
| C4A | N3A | C2A | N1A | 0.4° | 0.1° |
| N3A | C4A | N9A | C5M | 178.6° | 180.0° |
| N3A | C4A | N9A | C8A | 179.4° | 180.0° |
| N3A | C4A | C5M | C6A | 0.9° | 0.0° |
| N3A | C4A | C5M | N7A | 179.3° | 180.0° |
| C4A | N3A | C2A | H2A | 179.6° | 180.0° |
| O4D | C4D | C5D | H4D | 119.8° | 122.3° |
| O4D | C4D | C5D | O5D | 71.2° | 69.6° |
| C4D | O4D | C1D | H1D | 99.7° | 78.5° |
| O4D | C4D | C3D | H3D | 146.0° | 94.7° |
| O4D | C4D | C5D | H5D | 49.1° | 170.4° |
| O4D | C4D | C5D | H5DA | 168.6° | 50.5° |
| C4D | C5D | O5D | H5D | 120.2° | 120.0° |
| C4D | C5D | O5D | H5DA | 120.2° | 120.1° |
| C4D | C5D | O5D | P1A | 144.7° | 180.0° |
| C5D | C4D | C3D | H3D | 25.4° | 24.2° |
| C4D | C5D | H5D | H5DA | 119.2° | 120.0° |
| C2A | N1A | C6A | C5M | 0.2° | 0.0° |
| C2A | N1A | C6A | N6A | 179.5° | 180.0° |
| C4A | N9A | C8A | N7A | 0.7° | 0.0° |
| N9A | C4A | C5M | C6A | 177.7° | 180.0° |
| N9A | C4A | C5M | N7A | 0.7° | 0.0° |
| C4A | N9A | C1D | H1D | 12.7° | 34.2° |
| C4A | N9A | C8A | H8A | 179.3° | 180.0° |
| C8A | N9A | C4A | C5M | 0.8° | 0.0° |
| N9A | C8A | N7A | H8A | 180.0° | 180.0° |
| N9A | C8A | N7A | C5M | 0.2° | 0.0° |
| C8A | N9A | C1D | H1D | 172.0° | 145.7° |
| C4A | C5M | C6A | N1A | 0.3° | 0.0° |
| C4A | C5M | N7A | C8A | 0.3° | 0.0° |
| C4A | C5M | C6A | N7A | 178.1° | 180.0° |
| C4A | C5M | C6A | N6A | 179.0° | 180.0° |
| O2A | P1A | O5D | C5D | 47.2° | 55.1° |
| O2A | P1A | O5D | O1A | 126.9° | 120.1° |
| O2A | P1A | O5D | O3A | 119.4° | 120.0° |
| O2A | P1A | O1A | O3A | 118.8° | 120.0° |
| O2A | P1A | O3A | P2A | 62.7° | 45.0° |
| O2A | P1A | O1A | H14 | 0.0° | 180.0° |
| C5D | O5D | P1A | O1A | 174.1° | 65.0° |
| C5D | O5D | P1A | O3A | 72.2° | 175.0° |
| O5D | C5D | C4D | H4D | 169.1° | 52.6° |
| O5D | C5D | H5D | H5DA | 119.3° | 120.0° |
| O5D | P1A | O1A | O3A | 113.5° | 120.0° |
| O5D | P1A | O3A | P2A | 60.1° | 165.0° |
| O5D | P1A | O1A | H14 | 127.7° | 59.9° |
| P1A | O5D | C5D | H5D | 95.1° | 60.0° |
| P1A | O5D | C5D | H5DA | 24.4° | 59.9° |
| N1A | C6A | C5M | N6A | 179.3° | 179.9° |
| N1A | C6A | C5M | N7A | 178.3° | 180.0° |
| C6A | N1A | C2A | H2A | 179.9° | 180.0° |
| N1A | C6A | N6A | HN6A | 0.0° | 0.1° |
| N1A | C6A | N6A | HN6B | 120.0° | 180.0° |
| C8A | N7A | C5M | C6A | 177.8° | 180.0° |
| O1A | P1A | O3A | P2A | 176.0° | 75.0° |
| P1A | O3A | P2A | O4A | 14.2° | 45.0° |
| P1A | O3A | P2A | O5A | 111.5° | 75.0° |
| P1A | O3A | P2A | O6A | 132.1° | 165.0° |
| O3A | P1A | O1A | H14 | 118.9° | 60.0° |
| C5M | C6A | N6A | HN6A | 179.3° | 180.0° |
| C5M | C6A | N6A | HN6B | 59.3° | 0.0° |
| N7A | C5M | C6A | N6A | 1.0° | 0.1° |
| C5M | N7A | C8A | H8A | 179.8° | 180.0° |
| C6A | N6A | HN6A | HN6B | 120.0° | 180.0° |
| O4A | P2A | O3A | O5A | 125.7° | 120.0° |
| O4A | P2A | O3A | O6A | 117.9° | 120.0° |
| O4A | P2A | O5A | O6A | 123.6° | 120.0° |
| O4A | P2A | O6A | CCP | 171.6° | 55.0° |
| O4A | P2A | O5A | H13 | 0.0° | 180.0° |
| O3A | P2A | O5A | O6A | 112.1° | 120.0° |
| O3A | P2A | O6A | CCP | 51.8° | 175.0° |
| O3A | P2A | O5A | H13 | 124.2° | 60.0° |
| O5A | P2A | O6A | CCP | 61.9° | 65.0° |
| P2A | O6A | CCP | CBP | 152.5° | 180.0° |
| O6A | P2A | O5A | H13 | 123.7° | 60.0° |
| P2A | O6A | CCP | HCPA | 87.4° | 60.0° |
| P2A | O6A | CCP | HCP | 32.4° | 60.0° |
| O6A | CCP | CBP | HCPA | 120.1° | 120.0° |
| O6A | CCP | CBP | HCP | 120.1° | 120.0° |
| O6A | CCP | CBP | CEP | 105.5° | 60.0° |
| O6A | CCP | CBP | CDP | 14.4° | 60.0° |
| O6A | CCP | CBP | CAP | 134.6° | 180.0° |
| O6A | CCP | HCPA | HCP | 119.7° | 120.0° |
| CCP | CBP | CEP | CDP | 119.5° | 120.0° |
| CCP | CBP | CEP | CAP | 118.7° | 120.0° |
| CCP | CBP | CDP | CAP | 118.8° | 120.0° |
| CCP | CBP | CAP | C9P | 62.9° | 174.1° |
| CCP | CBP | CAP | OAP | 174.1° | 54.1° |
| CCP | CBP | CAP | HAP | 54.7° | 66.0° |
| CBP | CCP | HCPA | HCP | 119.7° | 120.0° |
| CCP | CBP | CDP | HDP | 180.0° | 175.6° |
| CCP | CBP | CDP | HDPA | 60.0° | 55.6° |
| CCP | CBP | CDP | HDPB | 60.0° | 64.3° |
| CCP | CBP | CEP | HEPB | 180.0° | 60.0° |
| CCP | CBP | CEP | HEPA | 60.0° | 60.0° |
| CCP | CBP | CEP | HEP | 60.0° | 180.0° |
| CEP | CBP | CDP | CAP | 121.7° | 120.0° |
| CEP | CBP | CAP | C9P | 56.3° | 54.0° |
| CEP | CBP | CAP | OAP | 66.7° | 65.9° |
| CEP | CBP | CAP | HAP | 173.9° | 174.0° |
| CEP | CBP | CCP | HCPA | 14.6° | 180.0° |
| CEP | CBP | CCP | HCP | 134.4° | 60.0° |
| CEP | CBP | CDP | HDP | 60.6° | 55.6° |
| CEP | CBP | CDP | HDPA | 179.5° | 64.4° |
| CEP | CBP | CDP | HDPB | 59.4° | 175.6° |
| CBP | CEP | HEPB | HEPA | 120.0° | 120.0° |
| CBP | CEP | HEPB | HEP | 120.0° | 120.0° |
| CBP | CEP | HEPA | HEP | 120.0° | 120.0° |
| CDP | CBP | CAP | C9P | 177.7° | 66.0° |
| CDP | CBP | CAP | OAP | 54.7° | 174.1° |
| CDP | CBP | CAP | HAP | 64.7° | 54.0° |
| CDP | CBP | CCP | HCPA | 134.5° | 60.0° |
| CDP | CBP | CCP | HCP | 105.7° | 180.0° |
| CBP | CDP | HDP | HDPA | 120.0° | 120.0° |
| CBP | CDP | HDP | HDPB | 120.0° | 120.0° |
| CBP | CDP | HDPA | HDPB | 120.0° | 120.0° |
| CDP | CBP | CEP | HEPB | 60.5° | 180.0° |
| CDP | CBP | CEP | HEPA | 59.5° | 60.0° |
| CDP | CBP | CEP | HEP | 179.5° | 60.0° |
| CBP | CAP | C9P | O9P | 74.1° | 71.8° |
| CBP | CAP | C9P | OAP | 122.3° | 120.0° |
| CBP | CAP | C9P | HAP | 117.4° | 120.0° |
| CBP | CAP | OAP | HAP | 118.3° | 120.0° |
| CBP | CAP | C9P | N8P | 106.2° | 108.2° |
| CBP | CAP | OAP | HOAP | 180.0° | 59.9° |
| CAP | CBP | CCP | HCPA | 105.4° | 60.0° |
| CAP | CBP | CCP | HCP | 14.4° | 60.0° |
| CAP | CBP | CDP | HDP | 61.2° | 64.4° |
| CAP | CBP | CDP | HDPA | 58.8° | 175.6° |
| CAP | CBP | CDP | HDPB | 178.8° | 55.6° |
| CAP | CBP | CEP | HEPB | 61.3° | 60.0° |
| CAP | CBP | CEP | HEPA | 178.7° | 180.0° |
| CAP | CBP | CEP | HEP | 58.6° | 60.0° |
| O5P | C5P | C6P | N4P | 179.5° | 179.9° |
| O5P | C5P | C6P | C7P | 152.2° | 0.1° |
| O5P | C5P | N4P | C3P | 0.3° | 0.0° |
| O5P | C5P | N4P | HN4P | 179.7° | 180.0° |
| O5P | C5P | C6P | H6P | 87.3° | 120.0° |
| O5P | C5P | C6P | H6PA | 31.7° | 120.0° |
| O9P | C9P | CAP | N8P | 179.8° | 180.0° |
| O9P | C9P | CAP | OAP | 163.6° | 168.2° |
| O9P | C9P | N8P | C7P | 4.9° | 5.1° |
| O9P | C9P | N8P | HN8P | 175.1° | 174.9° |
| O9P | C9P | CAP | HAP | 43.3° | 48.3° |
| C9P | CAP | OAP | HAP | 119.4° | 120.0° |
| CAP | C9P | N8P | C7P | 174.9° | 174.9° |
| CAP | C9P | N8P | HN8P | 5.1° | 5.2° |
| C9P | CAP | OAP | HOAP | 57.8° | 60.0° |
| OAP | CAP | C9P | N8P | 16.1° | 11.8° |
| C9P | N8P | C7P | C6P | 92.3° | 180.0° |
| C9P | N8P | C7P | HN8P | 180.0° | 180.0° |
| C9P | N8P | C7P | H7PA | 147.4° | 59.9° |
| C9P | N8P | C7P | H7P | 28.0° | 60.0° |
| N8P | C9P | CAP | HAP | 136.4° | 131.8° |
| C5P | C6P | C7P | H6P | 120.5° | 120.1° |
| C5P | C6P | C7P | H6PA | 120.5° | 120.0° |
| C5P | C6P | C7P | N8P | 53.6° | 180.0° |
| C6P | C5P | N4P | C3P | 179.8° | 179.9° |
| C6P | C5P | N4P | HN4P | 0.2° | 0.0° |
| C5P | C6P | H6P | H6PA | 118.5° | 120.0° |
| C5P | C6P | C7P | H7PA | 66.7° | 59.9° |
| C5P | C6P | C7P | H7P | 174.0° | 60.0° |
| C7P | C6P | C5P | N4P | 28.3° | 180.0° |
| C6P | C7P | N8P | H7PA | 120.3° | 120.1° |
| C6P | C7P | N8P | H7P | 120.3° | 120.0° |
| C7P | C6P | H6P | H6PA | 118.5° | 120.0° |
| C6P | C7P | H7PA | H7P | 119.0° | 120.0° |
| C6P | C7P | N8P | HN8P | 87.7° | 0.0° |
| C5P | N4P | C3P | HN4P | 180.0° | 180.0° |
| C5P | N4P | C3P | C2P | 79.2° | 180.0° |
| C5P | N4P | C3P | H3PA | 160.5° | 60.0° |
| C5P | N4P | C3P | H3P | 41.0° | 60.0° |
| N4P | C5P | C6P | H6P | 92.2° | 60.0° |
| N4P | C5P | C6P | H6PA | 148.8° | 60.0° |
| N8P | C7P | C6P | H6P | 174.1° | 60.0° |
| N8P | C7P | C6P | H6PA | 66.8° | 60.0° |
| N8P | C7P | H7PA | H7P | 119.0° | 120.0° |
| N4P | C3P | C2P | H3PA | 120.3° | 120.0° |
| N4P | C3P | C2P | H3P | 120.3° | 120.1° |
| N4P | C3P | C2P | S1P | 177.0° | 180.0° |
| N4P | C3P | C2P | H2PA | 62.4° | 60.0° |
| N4P | C3P | C2P | H2P | 56.4° | 59.9° |
| N4P | C3P | H3PA | H3P | 119.1° | 120.1° |
| C3P | C2P | S1P | H2PA | 120.6° | 120.0° |
| C3P | C2P | S1P | H2P | 120.6° | 120.1° |
| C3P | C2P | S1P | C1B | 60.9° | 180.0° |
| C3P | C2P | H2PA | H2P | 118.2° | 119.9° |
| C2P | C3P | H3PA | H3P | 119.1° | 119.9° |
| C2P | C3P | N4P | HN4P | 100.7° | 0.0° |
| C2P | S1P | C1B | C2B | 171.1° | 180.0° |
| C2P | S1P | C1B | O57 | 9.4° | 0.1° |
| S1P | C2P | H2PA | H2P | 118.2° | 120.0° |
| S1P | C2P | C3P | H3PA | 56.7° | 60.0° |
| S1P | C2P | C3P | H3P | 62.8° | 59.9° |
| S1P | C1B | C2B | C3B | 0.8° | 0.4° |
| S1P | C1B | C2B | O57 | 179.5° | 179.9° |
| S1P | C1B | C2B | C7B | 178.2° | 180.0° |
| C1B | S1P | C2P | H2PA | 178.5° | 60.0° |
| C1B | S1P | C2P | H2P | 59.7° | 59.9° |
| C4B | C3B | C2B | H3B | 180.0° | 179.9° |
| C3B | C4B | C5B | H4B | 180.0° | 180.0° |
| C4B | C3B | C2B | C1B | 179.2° | 160.7° |
| C4B | C3B | C2B | C7B | 0.3° | 19.7° |
| C3B | C4B | C5B | C6B | 1.9° | 35.1° |
| C3B | C4B | C5B | H5B | 122.6° | 85.0° |
| C3B | C4B | C5B | H39 | 118.8° | 155.3° |
| C2B | C3B | C4B | C5B | 0.5° | 0.1° |
| C3B | C2B | C1B | C7B | 178.9° | 179.7° |
| C3B | C2B | C1B | O57 | 178.8° | 179.7° |
| C3B | C2B | C7B | C6B | 2.4° | 0.4° |
| C2B | C3B | C4B | H4B | 179.5° | 179.9° |
| C3B | C2B | C7B | H7B | 177.6° | 179.8° |
| C4B | C5B | C6B | H5B | 120.7° | 120.1° |
| C4B | C5B | C6B | H39 | 120.7° | 120.2° |
| C4B | C5B | C6B | C7B | 4.0° | 50.0° |
| C5B | C4B | C3B | H3B | 179.5° | 179.8° |
| C4B | C5B | H5B | H39 | 117.8° | 119.7° |
| C4B | C5B | C6B | H6B | 116.8° | 170.3° |
| C4B | C5B | C6B | H37 | 124.9° | 69.9° |
| C1B | C2B | C7B | C6B | 176.5° | 179.9° |
| C1B | C2B | C3B | H3B | 0.8° | 19.2° |
| C1B | C2B | C7B | H7B | 3.5° | 0.1° |
| O57 | C1B | C2B | C7B | 2.3° | 0.1° |
| C2B | C7B | C6B | C5B | 4.6° | 34.5° |
| C2B | C7B | C6B | H7B | 180.0° | 179.8° |
| C7B | C2B | C3B | H3B | 179.7° | 160.5° |
| C2B | C7B | C6B | H6B | 116.1° | 154.7° |
| C2B | C7B | C6B | H37 | 125.5° | 85.6° |
| C5B | C6B | C7B | H6B | 120.8° | 120.2° |
| C5B | C6B | C7B | H37 | 120.8° | 120.0° |
| C6B | C5B | C4B | H4B | 178.1° | 144.9° |
| C6B | C5B | H5B | H39 | 117.9° | 119.7° |
| C5B | C6B | H6B | H37 | 117.5° | 119.8° |
| C5B | C6B | C7B | H7B | 175.4° | 145.4° |
| C7B | C6B | C5B | H5B | 124.7° | 70.2° |
| C7B | C6B | C5B | H39 | 116.7° | 170.2° |
| C7B | C6B | H6B | H37 | 117.5° | 119.5° |
| H1D | C1D | C2D | H2D | 160.1° | 146.5° |
| H2D | C2D | O2D | HO2D | 55.9° | 61.2° |
| H2D | C2D | C3D | H3D | 38.7° | 0.1° |
| H2PA | C2P | C3P | H3PA | 177.3° | 180.0° |
| H2PA | C2P | C3P | H3P | 57.8° | 60.1° |
| H2P | C2P | C3P | H3PA | 63.9° | 60.1° |
| H2P | C2P | C3P | H3P | 176.7° | 180.0° |
| H3B | C3B | C4B | H4B | 0.5° | 0.2° |
| H3D | C3D | C4D | H4D | 96.8° | 146.5° |
| H3PA | C3P | N4P | HN4P | 19.6° | 120.0° |
| H3P | C3P | N4P | HN4P | 139.0° | 120.0° |
| H4B | C4B | C5B | H5B | 57.4° | 95.0° |
| H4B | C4B | C5B | H39 | 61.1° | 24.7° |
| H4D | C4D | C5D | H5D | 70.7° | 67.3° |
| H4D | C4D | C5D | H5DA | 48.8° | 172.7° |
| H5B | C5B | C6B | H6B | 3.9° | 50.1° |
| H5B | C5B | C6B | H37 | 114.5° | 169.9° |
| H39 | C5B | C6B | H6B | 122.5° | 69.5° |
| H39 | C5B | C6B | H37 | 4.1° | 50.3° |
| H6B | C6B | C7B | H7B | 63.9° | 25.1° |
| H37 | C6B | C7B | H7B | 54.5° | 94.6° |
| H6P | C6P | C7P | H7PA | 53.8° | 180.0° |
| H6P | C6P | C7P | H7P | 65.6° | 60.0° |
| H6PA | C6P | C7P | H7PA | 172.9° | 60.0° |
| H6PA | C6P | C7P | H7P | 53.5° | NaN° |
| H7PA | C7P | N8P | HN8P | 32.6° | 120.0° |
| H7P | C7P | N8P | HN8P | 152.0° | 120.0° |
| HAP | CAP | OAP | HOAP | 61.7° | 180.0° |
| HDP | CDP | HDPA | HDPB | 119.9° | 120.0° |
| HEPB | CEP | HEPA | HEP | 120.0° | 120.1° |
