IRC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2A | N1A | doub | 1.32Å | 1.39Å | Aromatic |
| N1A | C6A | sing | 1.33Å | 1.41Å | Aromatic |
| O1A | P1A | doub | 1.48Å | 1.49Å | |
| O2A | P1A | sing | 1.61Å | 1.49Å | |
| P1A | O5B | sing | 1.61Å | 1.66Å | |
| P1A | O3A | sing | 1.61Å | 1.68Å | |
| C2B | C1B | sing | 1.54Å | 1.57Å | |
| C1B | O4B | sing | 1.44Å | 1.44Å | |
| C1B | N9A | sing | 1.46Å | 1.49Å | |
| C1B | H1B | sing | 1.09Å | 1.10Å | |
| S1P | C2P | sing | 1.81Å | 1.77Å | |
| S1P | CI1 | sing | 1.71Å | 1.74Å | |
| C2A | N3A | sing | 1.32Å | 1.37Å | Aromatic |
| C2A | H2A | sing | 1.08Å | 1.08Å | |
| O2A | HO2A | sing | 0.97Å | 0.95Å | |
| O5A | P2A | doub | 1.48Å | 1.50Å | |
| O3A | P2A | sing | 1.61Å | 1.62Å | |
| P2A | O4A | sing | 1.61Å | 1.48Å | |
| P2A | O6A | sing | 1.61Å | 1.71Å | |
| O2B | C2B | sing | 1.43Å | 1.40Å | |
| C3B | C2B | sing | 1.54Å | 1.58Å | |
| C2B | H2B | sing | 1.09Å | 1.10Å | |
| O2B | HO2B | sing | 0.97Å | 0.95Å | |
| C3P | C2P | sing | 1.53Å | 1.53Å | |
| C2P | H2P | sing | 1.09Å | 1.10Å | |
| C2P | H2PA | sing | 1.09Å | 1.10Å | |
| N3A | C4A | doub | 1.33Å | 1.41Å | Aromatic |
| O3B | C3B | sing | 1.43Å | 1.40Å | |
| C3B | C4B | sing | 1.54Å | 1.56Å | |
| C3B | H3B | sing | 1.09Å | 1.10Å | |
| O3B | P3B | sing | 1.61Å | 1.76Å | |
| O9A | P3B | doub | 1.48Å | 1.51Å | |
| O7A | P3B | sing | 1.61Å | 1.49Å | |
| P3B | O8A | sing | 1.61Å | 1.53Å | |
| N4P | C3P | sing | 1.47Å | 1.43Å | |
| C3P | H3P | sing | 1.09Å | 1.10Å | |
| C3P | H3PA | sing | 1.09Å | 1.10Å | |
| C4A | N9A | sing | 1.37Å | 1.41Å | Aromatic |
| C4A | C5A | sing | 1.41Å | 1.50Å | Aromatic |
| O4A | HO4A | sing | 0.97Å | 0.95Å | |
| C4B | C5B | sing | 1.53Å | 1.54Å | |
| C4B | O4B | sing | 1.44Å | 1.45Å | |
| C4B | H4B | sing | 1.09Å | 1.10Å | |
| C5P | N4P | sing | 1.35Å | 1.37Å | |
| N4P | HN4P | sing | 0.97Å | 1.00Å | |
| C6A | C5A | doub | 1.41Å | 1.45Å | Aromatic |
| C5A | N7A | sing | 1.35Å | 1.39Å | Aromatic |
| C5B | O5B | sing | 1.43Å | 1.42Å | |
| C5B | H5B | sing | 1.09Å | 1.10Å | |
| C5B | H5BA | sing | 1.09Å | 1.10Å | |
| C6P | C5P | sing | 1.51Å | 1.52Å | |
| C5P | O5P | doub | 1.21Å | 1.26Å | |
| C6A | N6A | sing | 1.38Å | 1.41Å | |
| N6A | HN6A | sing | 0.97Å | 1.00Å | |
| N6A | HN6B | sing | 0.97Å | 1.00Å | |
| CCP | O6A | sing | 1.43Å | 1.40Å | |
| C7P | C6P | sing | 1.53Å | 1.53Å | |
| C6P | H6P | sing | 1.09Å | 1.10Å | |
| C6P | H6PA | sing | 1.09Å | 1.10Å | |
| C8A | N7A | doub | 1.30Å | 1.35Å | Aromatic |
| O7A | HO7A | sing | 0.97Å | 0.95Å | |
| N8P | C7P | sing | 1.47Å | 1.45Å | |
| C7P | H7P | sing | 1.09Å | 1.10Å | |
| C7P | H7PA | sing | 1.09Å | 1.10Å | |
| N9A | C8A | sing | 1.36Å | 1.43Å | Aromatic |
| C8A | H8A | sing | 1.08Å | 1.08Å | |
| O8A | HO8A | sing | 0.97Å | 0.95Å | |
| C9P | N8P | sing | 1.35Å | 1.40Å | |
| N8P | HN8P | sing | 0.97Å | 1.00Å | |
| O9P | C9P | doub | 1.21Å | 1.25Å | |
| C9P | CAP | sing | 1.51Å | 1.57Å | |
| OAP | CAP | sing | 1.43Å | 1.43Å | |
| CAP | CBP | sing | 1.53Å | 1.58Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| OAP | HOAP | sing | 0.97Å | 0.95Å | |
| CDP | CBP | sing | 1.53Å | 1.53Å | |
| CBP | CCP | sing | 1.53Å | 1.57Å | |
| CBP | CEP | sing | 1.53Å | 1.52Å | |
| CCP | HCP | sing | 1.09Å | 1.10Å | |
| CCP | HCPA | 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 | HEP | sing | 1.09Å | 1.10Å | |
| CEP | HEPA | sing | 1.09Å | 1.10Å | |
| CEP | HEPB | sing | 1.09Å | 1.10Å | |
| CI1 | CI2 | sing | 1.51Å | 1.53Å | |
| CI1 | OI1 | doub | 1.21Å | 1.24Å | |
| OI2 | CI2 | sing | 1.43Å | 1.41Å | |
| CI2 | CI3 | sing | 1.53Å | 1.53Å | |
| CI2 | HI2 | sing | 1.09Å | 1.10Å | |
| OI2 | HOI2 | sing | 0.97Å | 0.95Å | |
| CI4 | CI3 | sing | 1.53Å | 1.52Å | |
| CI3 | HI3 | sing | 1.09Å | 1.10Å | |
| CI3 | HI3A | sing | 1.09Å | 1.10Å | |
| CI5 | CI4 | sing | 1.53Å | 1.51Å | |
| CI4 | CI6 | sing | 1.53Å | 1.51Å | |
| CI4 | HI4 | sing | 1.09Å | 1.10Å | |
| CI5 | HI5 | sing | 1.09Å | 1.10Å | |
| CI5 | HI5A | sing | 1.09Å | 1.10Å | |
| CI5 | HI5B | sing | 1.09Å | 1.10Å | |
| CI6 | HI6 | sing | 1.09Å | 1.10Å | |
| CI6 | HI6A | sing | 1.09Å | 1.10Å | |
| CI6 | HI6B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2A | N1A | C6A | 117.2° | 121.2° |
| N1A | C2A | N3A | 129.3° | 122.4° |
| N1A | C2A | H2A | 115.4° | 118.8° |
| N1A | C6A | C5A | 120.1° | 118.4° |
| N1A | C6A | N6A | 120.5° | 120.8° |
| O1A | P1A | O2A | 109.8° | 109.4° |
| O1A | P1A | O5B | 108.5° | 109.5° |
| O1A | P1A | O3A | 109.4° | 109.5° |
| O2A | P1A | O5B | 111.1° | 109.5° |
| O2A | P1A | O3A | 112.4° | 109.5° |
| P1A | O2A | HO2A | 109.5° | 114.0° |
| O5B | P1A | O3A | 105.4° | 109.5° |
| P1A | O5B | C5B | 112.9° | 123.0° |
| P1A | O3A | P2A | 111.5° | 134.0° |
| C2B | C1B | O4B | 108.6° | 104.8° |
| C2B | C1B | N9A | 115.2° | 110.4° |
| C2B | C1B | H1B | 106.1° | 110.5° |
| C1B | C2B | O2B | 109.2° | 110.5° |
| C1B | C2B | C3B | 104.6° | 104.1° |
| C1B | C2B | H2B | 115.5° | 110.5° |
| O4B | C1B | N9A | 109.4° | 110.4° |
| O4B | C1B | H1B | 112.3° | 110.4° |
| C1B | O4B | C4B | 112.1° | 105.2° |
| N9A | C1B | H1B | 105.2° | 110.3° |
| C1B | N9A | C4A | 126.1° | 126.3° |
| C1B | N9A | C8A | 128.4° | 126.2° |
| C2P | S1P | CI1 | 111.1° | 100.0° |
| S1P | C2P | C3P | 131.9° | 109.4° |
| S1P | C2P | H2P | 102.6° | 109.5° |
| S1P | C2P | H2PA | 102.6° | 109.5° |
| S1P | CI1 | CI2 | 121.5° | 120.0° |
| S1P | CI1 | OI1 | 120.8° | 120.0° |
| N3A | C2A | H2A | 115.4° | 118.8° |
| C2A | N3A | C4A | 114.0° | 120.7° |
| O5A | P2A | O3A | 111.0° | 109.5° |
| O5A | P2A | O4A | 109.8° | 109.4° |
| O5A | P2A | O6A | 108.6° | 109.4° |
| O3A | P2A | O4A | 113.8° | 109.5° |
| O3A | P2A | O6A | 105.3° | 109.5° |
| O4A | P2A | O6A | 108.1° | 109.5° |
| P2A | O4A | HO4A | 109.5° | 114.0° |
| P2A | O6A | CCP | 110.4° | 123.0° |
| O2B | C2B | C3B | 116.5° | 110.6° |
| O2B | C2B | H2B | 103.4° | 110.4° |
| C2B | O2B | HO2B | 109.5° | 114.0° |
| C3B | C2B | H2B | 108.1° | 110.5° |
| C2B | C3B | O3B | 113.9° | 110.5° |
| C2B | C3B | C4B | 104.9° | 104.1° |
| C2B | C3B | H3B | 111.0° | 110.5° |
| C3P | C2P | H2P | 102.6° | 109.5° |
| C3P | C2P | H2PA | 102.6° | 109.5° |
| C2P | C3P | N4P | 136.7° | 109.5° |
| C2P | C3P | H3P | 101.3° | 109.5° |
| C2P | C3P | H3PA | 101.2° | 109.5° |
| H2P | C2P | H2PA | 115.4° | 109.5° |
| N3A | C4A | N9A | 132.4° | 134.9° |
| N3A | C4A | C5A | 122.5° | 119.1° |
| O3B | C3B | C4B | 113.0° | 110.5° |
| O3B | C3B | H3B | 102.5° | 110.5° |
| C3B | O3B | P3B | 119.5° | 123.0° |
| C4B | C3B | H3B | 111.9° | 110.5° |
| C3B | C4B | C5B | 111.5° | 110.4° |
| C3B | C4B | O4B | 108.8° | 104.8° |
| C3B | C4B | H4B | 108.8° | 110.4° |
| O3B | P3B | O9A | 72.3° | 109.4° |
| O3B | P3B | O7A | 120.1° | 109.5° |
| O3B | P3B | O8A | 114.0° | 109.5° |
| O9A | P3B | O7A | 88.0° | 109.5° |
| O9A | P3B | O8A | 90.4° | 109.5° |
| O7A | P3B | O8A | 122.3° | 109.5° |
| P3B | O7A | HO7A | 109.5° | 114.0° |
| P3B | O8A | HO8A | 109.5° | 114.0° |
| N4P | C3P | H3P | 101.2° | 109.4° |
| N4P | C3P | H3PA | 101.3° | 109.4° |
| C3P | N4P | C5P | 127.6° | 120.0° |
| C3P | N4P | HN4P | 116.2° | 120.0° |
| H3P | C3P | H3PA | 116.3° | 109.5° |
| N9A | C4A | C5A | 105.1° | 106.0° |
| C4A | N9A | C8A | 105.5° | 107.5° |
| C4A | C5A | C6A | 117.0° | 118.2° |
| C4A | C5A | N7A | 109.8° | 107.2° |
| C5B | C4B | O4B | 110.2° | 110.3° |
| C5B | C4B | H4B | 107.4° | 110.3° |
| C4B | C5B | O5B | 112.0° | 109.5° |
| C4B | C5B | H5B | 108.6° | 109.4° |
| C4B | C5B | H5BA | 108.6° | 109.5° |
| O4B | C4B | H4B | 110.2° | 110.4° |
| C5P | N4P | HN4P | 116.2° | 120.0° |
| N4P | C5P | C6P | 129.6° | 120.0° |
| N4P | C5P | O5P | 138.4° | 120.0° |
| C6A | C5A | N7A | 133.3° | 134.7° |
| C5A | C6A | N6A | 119.4° | 120.8° |
| C5A | N7A | C8A | 105.3° | 109.4° |
| O5B | C5B | H5B | 108.6° | 109.5° |
| O5B | C5B | H5BA | 108.7° | 109.5° |
| H5B | C5B | H5BA | 110.3° | 109.4° |
| C6P | C5P | O5P | 92.0° | 120.0° |
| C5P | C6P | C7P | 142.8° | 109.5° |
| C5P | C6P | H6P | 99.5° | 109.5° |
| C5P | C6P | H6PA | 99.6° | 109.5° |
| C6A | N6A | HN6A | 109.5° | 120.0° |
| C6A | N6A | HN6B | 109.5° | 120.0° |
| HN6A | N6A | HN6B | 109.4° | 120.1° |
| O6A | CCP | CBP | 120.6° | 109.5° |
| O6A | CCP | HCP | 105.9° | 109.5° |
| O6A | CCP | HCPA | 105.9° | 109.5° |
| C7P | C6P | H6P | 99.6° | 109.5° |
| C7P | C6P | H6PA | 99.6° | 109.5° |
| C6P | C7P | N8P | 112.6° | 109.5° |
| C6P | C7P | H7P | 108.4° | 109.5° |
| C6P | C7P | H7PA | 108.4° | 109.5° |
| H6P | C6P | H6PA | 117.3° | 109.4° |
| N7A | C8A | N9A | 114.3° | 109.9° |
| N7A | C8A | H8A | 122.9° | 125.0° |
| N8P | C7P | H7P | 108.4° | 109.5° |
| N8P | C7P | H7PA | 108.4° | 109.4° |
| C7P | N8P | C9P | 126.6° | 120.0° |
| C7P | N8P | HN8P | 116.7° | 120.0° |
| H7P | C7P | H7PA | 110.5° | 109.5° |
| N9A | C8A | H8A | 122.8° | 125.0° |
| C9P | N8P | HN8P | 116.7° | 120.0° |
| N8P | C9P | O9P | 118.6° | 120.0° |
| N8P | C9P | CAP | 120.6° | 120.0° |
| O9P | C9P | CAP | 120.8° | 120.0° |
| C9P | CAP | OAP | 101.9° | 109.5° |
| C9P | CAP | CBP | 116.8° | 109.4° |
| C9P | CAP | HAP | 113.2° | 109.5° |
| OAP | CAP | CBP | 117.6° | 109.5° |
| OAP | CAP | HAP | 112.3° | 109.5° |
| CAP | OAP | HOAP | 109.5° | 114.0° |
| CBP | CAP | HAP | 95.6° | 109.5° |
| CAP | CBP | CDP | 111.9° | 109.5° |
| CAP | CBP | CCP | 104.8° | 109.5° |
| CAP | CBP | CEP | 111.1° | 109.5° |
| CDP | CBP | CCP | 111.7° | 109.4° |
| CDP | CBP | CEP | 111.4° | 109.5° |
| CBP | CDP | HDP | 109.5° | 109.4° |
| CBP | CDP | HDPA | 109.5° | 109.5° |
| CBP | CDP | HDPB | 109.4° | 109.5° |
| CCP | CBP | CEP | 105.7° | 109.4° |
| CBP | CCP | HCP | 105.9° | 109.4° |
| CBP | CCP | HCPA | 105.9° | 109.5° |
| CBP | CEP | HEP | 109.5° | 109.5° |
| CBP | CEP | HEPA | 109.5° | 109.5° |
| CBP | CEP | HEPB | 109.5° | 109.5° |
| HCP | CCP | HCPA | 112.8° | 109.4° |
| HDP | CDP | HDPA | 109.5° | 109.5° |
| HDP | CDP | HDPB | 109.5° | 109.5° |
| HDPA | CDP | HDPB | 109.5° | 109.5° |
| HEP | CEP | HEPA | 109.4° | 109.5° |
| HEP | CEP | HEPB | 109.5° | 109.5° |
| HEPA | CEP | HEPB | 109.5° | 109.5° |
| CI2 | CI1 | OI1 | 117.3° | 120.0° |
| CI1 | CI2 | OI2 | 113.5° | 109.5° |
| CI1 | CI2 | CI3 | 115.4° | 109.5° |
| CI1 | CI2 | HI2 | 102.7° | 109.5° |
| OI2 | CI2 | CI3 | 111.6° | 109.4° |
| OI2 | CI2 | HI2 | 107.4° | 109.4° |
| CI2 | OI2 | HOI2 | 109.5° | 114.0° |
| CI3 | CI2 | HI2 | 105.1° | 109.5° |
| CI2 | CI3 | CI4 | 118.2° | 109.5° |
| CI2 | CI3 | HI3 | 106.6° | 109.5° |
| CI2 | CI3 | HI3A | 106.7° | 109.5° |
| CI4 | CI3 | HI3 | 106.7° | 109.5° |
| CI4 | CI3 | HI3A | 106.7° | 109.5° |
| CI3 | CI4 | CI5 | 111.6° | 109.5° |
| CI3 | CI4 | CI6 | 106.8° | 109.5° |
| CI3 | CI4 | HI4 | 110.1° | 109.4° |
| HI3 | CI3 | HI3A | 112.1° | 109.5° |
| CI5 | CI4 | CI6 | 110.3° | 109.5° |
| CI5 | CI4 | HI4 | 106.6° | 109.5° |
| CI4 | CI5 | HI5 | 109.5° | 109.5° |
| CI4 | CI5 | HI5A | 109.4° | 109.5° |
| CI4 | CI5 | HI5B | 109.5° | 109.5° |
| CI6 | CI4 | HI4 | 111.4° | 109.5° |
| CI4 | CI6 | HI6 | 109.5° | 109.5° |
| CI4 | CI6 | HI6A | 109.5° | 109.5° |
| CI4 | CI6 | HI6B | 109.5° | 109.4° |
| HI5 | CI5 | HI5A | 109.5° | 109.5° |
| HI5 | CI5 | HI5B | 109.5° | 109.4° |
| HI5A | CI5 | HI5B | 109.5° | 109.5° |
| HI6 | CI6 | HI6A | 109.4° | 109.5° |
| HI6 | CI6 | HI6B | 109.5° | 109.5° |
| HI6A | CI6 | HI6B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1A | C2A | N3A | H2A | 180.0° | 180.0° |
| N1A | C2A | N3A | C4A | 0.1° | 0.0° |
| C2A | N1A | C6A | C5A | 0.0° | 0.1° |
| C2A | N1A | C6A | N6A | 179.8° | 180.0° |
| C6A | N1A | C2A | N3A | 0.1° | 0.1° |
| C6A | N1A | C2A | H2A | 179.9° | 179.9° |
| N1A | C6A | C5A | C4A | 0.1° | 0.1° |
| N1A | C6A | C5A | N6A | 179.8° | 179.9° |
| N1A | C6A | C5A | N7A | 179.9° | 180.0° |
| N1A | C6A | N6A | HN6A | 0.0° | 0.1° |
| N1A | C6A | N6A | HN6B | 120.0° | 180.0° |
| O1A | P1A | O2A | O5B | 120.0° | 120.0° |
| O1A | P1A | O2A | O3A | 122.1° | 120.0° |
| O1A | P1A | O5B | O3A | 117.1° | 120.0° |
| O1A | P1A | O2A | HO2A | 0.0° | 180.0° |
| O1A | P1A | O3A | P2A | 109.4° | 40.0° |
| O1A | P1A | O5B | C5B | 61.5° | 55.0° |
| O2A | P1A | O5B | O3A | 122.1° | 120.0° |
| O2A | P1A | O3A | P2A | 12.9° | 80.0° |
| O2A | P1A | O5B | C5B | 59.3° | 65.0° |
| O5B | P1A | O2A | HO2A | 120.0° | 60.0° |
| O5B | P1A | O3A | P2A | 134.1° | 160.0° |
| P1A | O5B | C5B | C4B | 87.6° | 180.0° |
| P1A | O5B | C5B | H5B | 32.4° | 60.0° |
| P1A | O5B | C5B | H5BA | 152.4° | 59.9° |
| O3A | P1A | O2A | HO2A | 122.1° | 60.0° |
| P1A | O3A | P2A | O5A | 40.3° | 45.0° |
| P1A | O3A | P2A | O4A | 84.1° | 75.0° |
| P1A | O3A | P2A | O6A | 157.7° | 165.0° |
| O3A | P1A | O5B | C5B | 178.6° | 175.0° |
| C2B | C1B | O4B | N9A | 126.5° | 118.8° |
| C2B | C1B | O4B | H1B | 117.1° | 119.0° |
| C2B | C1B | N9A | H1B | 116.5° | 122.4° |
| C1B | C2B | O2B | C3B | 118.2° | 114.7° |
| C1B | C2B | O2B | H2B | 123.5° | 122.6° |
| C1B | C2B | C3B | H2B | 123.6° | 118.7° |
| C1B | C2B | O2B | HO2B | 180.0° | 61.5° |
| C1B | C2B | C3B | O3B | 113.9° | 118.7° |
| C1B | C2B | C3B | C4B | 10.0° | 0.0° |
| C1B | C2B | C3B | H3B | 131.0° | 118.7° |
| C2B | C1B | N9A | C4A | 56.6° | 88.2° |
| C2B | C1B | O4B | C4B | 3.6° | 40.5° |
| C2B | C1B | N9A | C8A | 124.0° | 91.8° |
| O4B | C1B | N9A | H1B | 120.9° | 122.2° |
| O4B | C1B | C2B | O2B | 134.0° | 142.8° |
| O4B | C1B | C2B | C3B | 8.6° | 24.0° |
| O4B | C1B | C2B | H2B | 110.0° | 94.6° |
| C1B | O4B | C4B | C3B | 3.2° | 40.5° |
| O4B | C1B | N9A | C4A | 179.2° | 156.4° |
| C1B | O4B | C4B | C5B | 119.3° | 159.4° |
| C1B | O4B | C4B | H4B | 122.4° | 78.4° |
| O4B | C1B | N9A | C8A | 1.4° | 23.6° |
| N9A | C1B | C2B | O2B | 103.0° | 98.4° |
| N9A | C1B | C2B | C3B | 131.6° | 142.8° |
| N9A | C1B | C2B | H2B | 13.0° | 24.2° |
| C1B | N9A | C4A | N3A | 0.5° | 0.0° |
| C1B | N9A | C4A | C8A | 179.5° | 180.0° |
| C1B | N9A | C4A | C5A | 179.5° | 180.0° |
| N9A | C1B | O4B | C4B | 130.1° | 159.4° |
| C1B | N9A | C8A | N7A | 179.5° | 180.0° |
| C1B | N9A | C8A | H8A | 0.5° | 0.0° |
| H1B | C1B | C2B | O2B | 13.0° | 23.9° |
| H1B | C1B | C2B | C3B | 112.3° | 94.9° |
| H1B | C1B | C2B | H2B | 129.0° | 146.5° |
| H1B | C1B | N9A | C4A | 60.0° | 34.2° |
| H1B | C1B | O4B | C4B | 113.5° | 78.4° |
| H1B | C1B | N9A | C8A | 119.5° | 145.8° |
| S1P | C2P | C3P | H2P | 120.0° | 120.0° |
| S1P | C2P | C3P | H2PA | 120.0° | 120.0° |
| S1P | C2P | H2P | H2PA | 110.6° | 120.0° |
| S1P | C2P | C3P | N4P | 30.7° | 180.0° |
| S1P | C2P | C3P | H3P | 150.7° | 60.0° |
| S1P | C2P | C3P | H3PA | 89.3° | 60.0° |
| C2P | S1P | CI1 | CI2 | 120.3° | 180.0° |
| C2P | S1P | CI1 | OI1 | 67.2° | 0.1° |
| CI1 | S1P | C2P | C3P | 136.6° | 180.0° |
| CI1 | S1P | C2P | H2P | 103.4° | 60.0° |
| CI1 | S1P | C2P | H2PA | 16.6° | 60.0° |
| S1P | CI1 | CI2 | OI1 | 172.8° | 180.0° |
| S1P | CI1 | CI2 | OI2 | 43.5° | 175.0° |
| S1P | CI1 | CI2 | CI3 | 87.2° | 65.0° |
| S1P | CI1 | CI2 | HI2 | 159.0° | 55.0° |
| C2A | N3A | C4A | N9A | 179.9° | 180.0° |
| C2A | N3A | C4A | C5A | 0.1° | 0.0° |
| H2A | C2A | N3A | C4A | 179.9° | 180.0° |
| O5A | P2A | O3A | O4A | 124.4° | 120.0° |
| O5A | P2A | O3A | O6A | 117.4° | 120.0° |
| O5A | P2A | O4A | O6A | 118.3° | 119.9° |
| O5A | P2A | O4A | HO4A | 0.0° | 180.0° |
| O5A | P2A | O6A | CCP | 16.9° | 55.0° |
| O3A | P2A | O4A | O6A | 116.6° | 120.0° |
| O3A | P2A | O4A | HO4A | 125.1° | 60.0° |
| O3A | P2A | O6A | CCP | 102.1° | 175.0° |
| O4A | P2A | O6A | CCP | 136.0° | 65.0° |
| O6A | P2A | O4A | HO4A | 118.3° | 60.0° |
| P2A | O6A | CCP | CBP | 109.4° | 180.0° |
| P2A | O6A | CCP | HCP | 130.6° | 60.0° |
| P2A | O6A | CCP | HCPA | 10.6° | 60.0° |
| O2B | C2B | C3B | H2B | 115.8° | 122.6° |
| O2B | C2B | C3B | O3B | 6.7° | 0.0° |
| O2B | C2B | C3B | C4B | 130.6° | 118.7° |
| O2B | C2B | C3B | H3B | 108.4° | 122.6° |
| C3B | C2B | O2B | HO2B | 61.8° | 176.2° |
| C2B | C3B | O3B | C4B | 119.5° | 114.7° |
| C2B | C3B | O3B | H3B | 119.9° | 122.7° |
| C2B | C3B | C4B | H3B | 120.4° | 118.6° |
| C2B | C3B | O3B | P3B | 69.4° | 121.5° |
| C2B | C3B | C4B | C5B | 113.3° | 142.8° |
| C2B | C3B | C4B | O4B | 8.4° | 24.0° |
| C2B | C3B | C4B | H4B | 128.5° | 94.9° |
| H2B | C2B | O2B | HO2B | 56.6° | 61.2° |
| H2B | C2B | C3B | O3B | 122.5° | 122.7° |
| H2B | C2B | C3B | C4B | 113.5° | 118.7° |
| H2B | C2B | C3B | H3B | 7.4° | 0.0° |
| C3P | C2P | H2P | H2PA | 110.7° | 120.0° |
| C2P | C3P | N4P | H3P | 120.0° | 120.0° |
| C2P | C3P | N4P | H3PA | 120.0° | 120.0° |
| C2P | C3P | H3P | H3PA | 108.6° | 120.1° |
| C2P | C3P | N4P | C5P | 155.5° | 180.0° |
| C2P | C3P | N4P | HN4P | 24.5° | 0.0° |
| H2P | C2P | C3P | N4P | 89.3° | 60.0° |
| H2P | C2P | C3P | H3P | 30.7° | 180.0° |
| H2P | C2P | C3P | H3PA | 150.7° | 59.9° |
| H2PA | C2P | C3P | N4P | 150.7° | 60.0° |
| H2PA | C2P | C3P | H3P | 89.3° | 60.0° |
| H2PA | C2P | C3P | H3PA | 30.7° | 180.0° |
| N3A | C4A | N9A | C5A | 180.0° | 180.0° |
| N3A | C4A | C5A | C6A | 0.0° | 0.0° |
| N3A | C4A | C5A | N7A | 179.9° | 180.0° |
| N3A | C4A | N9A | C8A | 180.0° | 180.0° |
| O3B | C3B | C4B | H3B | 115.1° | 122.7° |
| C3B | O3B | P3B | O9A | 165.8° | 55.0° |
| C3B | O3B | P3B | O7A | 117.3° | 65.0° |
| C3B | O3B | P3B | O8A | 83.4° | 175.0° |
| O3B | C3B | C4B | C5B | 122.2° | 98.5° |
| O3B | C3B | C4B | O4B | 116.1° | 142.7° |
| O3B | C3B | C4B | H4B | 3.9° | 23.8° |
| C4B | C3B | O3B | P3B | 50.1° | 123.8° |
| C3B | C4B | C5B | O4B | 120.8° | 115.4° |
| C3B | C4B | C5B | H4B | 119.1° | 122.3° |
| C3B | C4B | O4B | H4B | 119.2° | 118.9° |
| C3B | C4B | C5B | O5B | 173.3° | 175.0° |
| C3B | C4B | C5B | H5B | 53.3° | 55.0° |
| C3B | C4B | C5B | H5BA | 66.7° | 64.9° |
| H3B | C3B | O3B | P3B | 170.7° | 1.2° |
| H3B | C3B | C4B | C5B | 7.1° | 24.1° |
| H3B | C3B | C4B | O4B | 128.8° | 94.7° |
| H3B | C3B | C4B | H4B | 111.2° | 146.4° |
| O3B | P3B | O9A | O7A | 122.6° | 120.0° |
| O3B | P3B | O9A | O8A | 115.1° | 120.0° |
| O3B | P3B | O7A | O8A | 157.5° | 120.0° |
| O3B | P3B | O7A | HO7A | 68.2° | 60.0° |
| O3B | P3B | O8A | HO8A | 70.8° | 180.0° |
| O9A | P3B | O7A | O8A | 89.3° | 120.0° |
| O9A | P3B | O7A | HO7A | 0.0° | 180.0° |
| O9A | P3B | O8A | HO8A | 0.0° | 60.0° |
| O7A | P3B | O8A | HO8A | 87.9° | 60.0° |
| O8A | P3B | O7A | HO7A | 89.3° | 60.0° |
| N4P | C3P | H3P | H3PA | 108.7° | 120.0° |
| C3P | N4P | C5P | HN4P | 180.0° | 179.9° |
| C3P | N4P | C5P | C6P | 178.5° | 180.0° |
| C3P | N4P | C5P | O5P | 1.4° | 0.0° |
| H3P | C3P | N4P | C5P | 35.5° | 60.0° |
| H3P | C3P | N4P | HN4P | 144.5° | 120.0° |
| H3PA | C3P | N4P | C5P | 84.5° | 60.0° |
| H3PA | C3P | N4P | HN4P | 95.5° | 120.0° |
| N9A | C4A | C5A | C6A | 180.0° | 180.0° |
| N9A | C4A | C5A | N7A | 0.1° | 0.0° |
| C4A | N9A | C8A | N7A | 0.0° | 0.0° |
| C4A | N9A | C8A | H8A | 180.0° | 180.0° |
| C4A | C5A | C6A | N7A | 180.0° | 179.9° |
| C4A | C5A | C6A | N6A | 179.8° | 179.9° |
| C4A | C5A | N7A | C8A | 0.0° | 0.0° |
| C5A | C4A | N9A | C8A | 0.0° | 0.0° |
| C5B | C4B | O4B | H4B | 118.3° | 122.3° |
| C4B | C5B | O5B | H5B | 120.0° | 120.0° |
| C4B | C5B | O5B | H5BA | 120.0° | 120.1° |
| C4B | C5B | H5B | H5BA | 118.9° | 120.0° |
| O4B | C4B | C5B | O5B | 65.9° | 69.6° |
| O4B | C4B | C5B | H5B | 174.1° | 170.4° |
| O4B | C4B | C5B | H5BA | 54.1° | 50.4° |
| H4B | C4B | C5B | O5B | 54.1° | 52.7° |
| H4B | C4B | C5B | H5B | 65.8° | 67.3° |
| H4B | C4B | C5B | H5BA | 174.2° | 172.8° |
| N4P | C5P | C6P | O5P | 180.0° | 180.0° |
| N4P | C5P | C6P | C7P | 76.7° | 180.0° |
| N4P | C5P | C6P | H6P | 163.3° | 60.0° |
| N4P | C5P | C6P | H6PA | 43.3° | 60.0° |
| HN4P | N4P | C5P | C6P | 1.5° | 0.0° |
| HN4P | N4P | C5P | O5P | 178.6° | 179.9° |
| C5A | C6A | N6A | HN6A | 179.8° | 180.0° |
| C5A | C6A | N6A | HN6B | 59.8° | 0.1° |
| C6A | C5A | N7A | C8A | 180.0° | 180.0° |
| N7A | C5A | C6A | N6A | 0.3° | 0.1° |
| C5A | N7A | C8A | N9A | 0.0° | 0.0° |
| C5A | N7A | C8A | H8A | 180.0° | 180.0° |
| O5B | C5B | H5B | H5BA | 119.0° | 120.0° |
| C5P | C6P | C7P | H6P | 120.0° | 120.0° |
| C5P | C6P | C7P | H6PA | 120.0° | 120.0° |
| C5P | C6P | H6P | H6PA | 106.0° | 120.0° |
| C5P | C6P | C7P | N8P | 153.1° | 180.0° |
| C5P | C6P | C7P | H7P | 33.1° | 60.0° |
| C5P | C6P | C7P | H7PA | 87.0° | 60.1° |
| O5P | C5P | C6P | C7P | 103.3° | 0.1° |
| O5P | C5P | C6P | H6P | 16.7° | 120.0° |
| O5P | C5P | C6P | H6PA | 136.7° | 120.0° |
| C6A | N6A | HN6A | HN6B | 120.0° | 179.9° |
| O6A | CCP | CBP | CAP | 179.7° | 180.0° |
| O6A | CCP | CBP | CDP | 58.4° | 60.0° |
| O6A | CCP | CBP | HCP | 120.0° | 120.1° |
| O6A | CCP | CBP | HCPA | 120.0° | 120.0° |
| O6A | CCP | CBP | CEP | 62.9° | 60.0° |
| O6A | CCP | HCP | HCPA | 115.4° | 120.0° |
| C7P | C6P | H6P | H6PA | 106.1° | 120.0° |
| C6P | C7P | N8P | H7P | 120.0° | 120.0° |
| C6P | C7P | N8P | H7PA | 120.0° | 119.9° |
| C6P | C7P | H7P | H7PA | 118.7° | 120.0° |
| C6P | C7P | N8P | C9P | 130.8° | 180.0° |
| C6P | C7P | N8P | HN8P | 49.2° | 0.0° |
| H6P | C6P | C7P | N8P | 87.0° | 59.9° |
| H6P | C6P | C7P | H7P | 153.1° | 180.0° |
| H6P | C6P | C7P | H7PA | 33.0° | 60.0° |
| H6PA | C6P | C7P | N8P | 33.1° | 60.0° |
| H6PA | C6P | C7P | H7P | 86.9° | 60.0° |
| H6PA | C6P | C7P | H7PA | 153.0° | 179.9° |
| N7A | C8A | N9A | H8A | 180.0° | 180.0° |
| N8P | C7P | H7P | H7PA | 118.7° | 120.0° |
| C7P | N8P | C9P | HN8P | 180.0° | 180.0° |
| C7P | N8P | C9P | O9P | 130.9° | 5.3° |
| C7P | N8P | C9P | CAP | 49.6° | 174.8° |
| H7P | C7P | N8P | C9P | 109.2° | 60.0° |
| H7P | C7P | N8P | HN8P | 70.8° | 120.0° |
| H7PA | C7P | N8P | C9P | 10.8° | 60.0° |
| H7PA | C7P | N8P | HN8P | 169.2° | 120.0° |
| N8P | C9P | O9P | CAP | 179.6° | 179.9° |
| N8P | C9P | CAP | OAP | 138.0° | 9.9° |
| N8P | C9P | CAP | CBP | 92.5° | 110.1° |
| N8P | C9P | CAP | HAP | 17.2° | 129.9° |
| HN8P | N8P | C9P | O9P | 49.1° | 174.8° |
| HN8P | N8P | C9P | CAP | 130.4° | 5.2° |
| O9P | C9P | CAP | OAP | 42.5° | 170.1° |
| O9P | C9P | CAP | CBP | 87.1° | 70.0° |
| O9P | C9P | CAP | HAP | 163.3° | 50.0° |
| C9P | CAP | OAP | CBP | 129.1° | 119.9° |
| C9P | CAP | OAP | HAP | 121.4° | 120.1° |
| C9P | CAP | CBP | HAP | 119.5° | 120.0° |
| C9P | CAP | OAP | HOAP | 17.4° | 59.9° |
| C9P | CAP | CBP | CDP | 67.5° | 66.3° |
| C9P | CAP | CBP | CCP | 171.2° | 173.7° |
| C9P | CAP | CBP | CEP | 57.6° | 53.7° |
| OAP | CAP | CBP | HAP | 118.8° | 120.0° |
| OAP | CAP | CBP | CDP | 54.2° | 173.7° |
| OAP | CAP | CBP | CCP | 67.1° | 53.7° |
| OAP | CAP | CBP | CEP | 179.3° | 66.2° |
| CBP | CAP | OAP | HOAP | 111.7° | 60.0° |
| CAP | CBP | CDP | CCP | 117.1° | 120.0° |
| CAP | CBP | CDP | CEP | 125.0° | 120.1° |
| CAP | CBP | CCP | CEP | 117.4° | 120.0° |
| CAP | CBP | CCP | HCP | 60.3° | 59.9° |
| CAP | CBP | CCP | HCPA | 59.7° | 60.0° |
| CAP | CBP | CDP | HDP | 180.0° | 64.6° |
| CAP | CBP | CDP | HDPA | 60.0° | 175.4° |
| CAP | CBP | CDP | HDPB | 60.0° | 55.4° |
| CAP | CBP | CEP | HEP | 180.0° | 60.0° |
| CAP | CBP | CEP | HEPA | 60.0° | 180.0° |
| CAP | CBP | CEP | HEPB | 60.0° | 60.0° |
| HAP | CAP | OAP | HOAP | 138.8° | 180.0° |
| HAP | CAP | CBP | CDP | 173.0° | 53.7° |
| HAP | CAP | CBP | CCP | 51.7° | 66.3° |
| HAP | CAP | CBP | CEP | 61.9° | 173.8° |
| CDP | CBP | CCP | CEP | 121.2° | 120.0° |
| CDP | CBP | CCP | HCP | 178.4° | 60.1° |
| CDP | CBP | CCP | HCPA | 61.6° | 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 | HEP | 54.6° | 180.0° |
| CDP | CBP | CEP | HEPA | 174.6° | 60.0° |
| CDP | CBP | CEP | HEPB | 65.5° | 60.0° |
| CBP | CCP | HCP | HCPA | 115.4° | 119.9° |
| CCP | CBP | CDP | HDP | 62.9° | 175.5° |
| CCP | CBP | CDP | HDPA | 177.1° | 55.4° |
| CCP | CBP | CDP | HDPB | 57.1° | 64.6° |
| CCP | CBP | CEP | HEP | 66.9° | 60.0° |
| CCP | CBP | CEP | HEPA | 53.1° | 60.0° |
| CCP | CBP | CEP | HEPB | 173.0° | 180.0° |
| CEP | CBP | CCP | HCP | 57.1° | 180.0° |
| CEP | CBP | CCP | HCPA | 177.1° | 60.0° |
| CEP | CBP | CDP | HDP | 55.0° | 55.5° |
| CEP | CBP | CDP | HDPA | 65.0° | 64.5° |
| CEP | CBP | CDP | HDPB | 175.0° | 175.5° |
| CBP | CEP | HEP | HEPA | 120.0° | 120.0° |
| CBP | CEP | HEP | HEPB | 120.0° | 120.0° |
| CBP | CEP | HEPA | HEPB | 120.0° | 120.0° |
| HDP | CDP | HDPA | HDPB | 120.0° | 120.0° |
| HEP | CEP | HEPA | HEPB | 120.0° | 120.0° |
| CI1 | CI2 | OI2 | CI3 | 132.5° | 120.0° |
| CI1 | CI2 | OI2 | HI2 | 112.8° | 120.0° |
| CI1 | CI2 | CI3 | HI2 | 112.4° | 120.0° |
| CI1 | CI2 | OI2 | HOI2 | 180.0° | 60.0° |
| CI1 | CI2 | CI3 | CI4 | 72.9° | 175.9° |
| CI1 | CI2 | CI3 | HI3 | 167.2° | 55.9° |
| CI1 | CI2 | CI3 | HI3A | 47.1° | 64.1° |
| OI1 | CI1 | CI2 | OI2 | 129.3° | 5.0° |
| OI1 | CI1 | CI2 | CI3 | 100.1° | 115.0° |
| OI1 | CI1 | CI2 | HI2 | 13.7° | 125.0° |
| OI2 | CI2 | CI3 | HI2 | 116.1° | 119.9° |
| OI2 | CI2 | CI3 | CI4 | 58.7° | 64.1° |
| OI2 | CI2 | CI3 | HI3 | 61.3° | 176.0° |
| OI2 | CI2 | CI3 | HI3A | 178.7° | 56.0° |
| CI3 | CI2 | OI2 | HOI2 | 47.5° | 60.0° |
| CI2 | CI3 | CI4 | HI3 | 120.0° | 120.0° |
| CI2 | CI3 | CI4 | HI3A | 120.0° | 120.0° |
| CI2 | CI3 | HI3 | HI3A | 116.4° | 120.0° |
| CI2 | CI3 | CI4 | CI5 | 111.3° | 64.5° |
| CI2 | CI3 | CI4 | CI6 | 128.1° | 175.5° |
| CI2 | CI3 | CI4 | HI4 | 6.9° | 55.5° |
| HI2 | CI2 | OI2 | HOI2 | 67.2° | 180.0° |
| HI2 | CI2 | CI3 | CI4 | 174.8° | 55.9° |
| HI2 | CI2 | CI3 | HI3 | 54.8° | 64.1° |
| HI2 | CI2 | CI3 | HI3A | 65.2° | 175.9° |
| CI4 | CI3 | HI3 | HI3A | 116.4° | 120.0° |
| CI3 | CI4 | CI5 | CI6 | 118.6° | 120.0° |
| CI3 | CI4 | CI5 | HI4 | 120.3° | 120.0° |
| CI3 | CI4 | CI6 | HI4 | 120.3° | 120.0° |
| CI3 | CI4 | CI5 | HI5 | 180.0° | 60.0° |
| CI3 | CI4 | CI5 | HI5A | 60.0° | 180.0° |
| CI3 | CI4 | CI5 | HI5B | 60.0° | 60.0° |
| CI3 | CI4 | CI6 | HI6 | 180.0° | 64.8° |
| CI3 | CI4 | CI6 | HI6A | 60.0° | 175.2° |
| CI3 | CI4 | CI6 | HI6B | 60.0° | 55.2° |
| HI3 | CI3 | CI4 | CI5 | 8.7° | 55.5° |
| HI3 | CI3 | CI4 | CI6 | 112.0° | 64.5° |
| HI3 | CI3 | CI4 | HI4 | 126.9° | 175.5° |
| HI3A | CI3 | CI4 | CI5 | 128.7° | 175.5° |
| HI3A | CI3 | CI4 | CI6 | 8.1° | 55.5° |
| HI3A | CI3 | CI4 | HI4 | 113.1° | 64.5° |
| CI5 | CI4 | CI6 | HI4 | 118.2° | 120.0° |
| CI4 | CI5 | HI5 | HI5A | 120.0° | 120.0° |
| CI4 | CI5 | HI5 | HI5B | 120.0° | 120.0° |
| CI4 | CI5 | HI5A | HI5B | 120.0° | 120.0° |
| CI5 | CI4 | CI6 | HI6 | 58.5° | 175.2° |
| CI5 | CI4 | CI6 | HI6A | 61.4° | 55.2° |
| CI5 | CI4 | CI6 | HI6B | 178.5° | 64.8° |
| CI6 | CI4 | CI5 | HI5 | 61.4° | 60.0° |
| CI6 | CI4 | CI5 | HI5A | 178.6° | 60.0° |
| CI6 | CI4 | CI5 | HI5B | 58.6° | 180.0° |
| CI4 | CI6 | HI6 | HI6A | 120.0° | 120.0° |
| CI4 | CI6 | HI6 | HI6B | 120.0° | 120.0° |
| CI4 | CI6 | HI6A | HI6B | 120.0° | 120.0° |
| HI4 | CI4 | CI5 | HI5 | 59.7° | 179.9° |
| HI4 | CI4 | CI5 | HI5A | 60.3° | 60.0° |
| HI4 | CI4 | CI5 | HI5B | 179.7° | 60.0° |
| HI4 | CI4 | CI6 | HI6 | 59.7° | 55.2° |
| HI4 | CI4 | CI6 | HI6A | 179.7° | 64.8° |
| HI4 | CI4 | CI6 | HI6B | 60.3° | 175.2° |
| HI5 | CI5 | HI5A | HI5B | 120.0° | 120.0° |
| HI6 | CI6 | HI6A | HI6B | 120.0° | 120.0° |
