01A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P3A | O7A | sing | 1.61Å | 1.51Å | |
| O7A | HO7A | sing | 0.97Å | 0.95Å | |
| O8A | P3A | doub | 1.48Å | 1.52Å | |
| O9A | P3A | sing | 1.61Å | 1.51Å | |
| P3A | O3A' | sing | 1.61Å | 1.62Å | |
| O9A | HO9A | sing | 0.97Å | 0.95Å | |
| C3A' | O3A' | sing | 1.43Å | 1.43Å | |
| C2A' | C3A' | sing | 1.55Å | 1.52Å | |
| C3A' | C4A' | sing | 1.54Å | 1.52Å | |
| C3A' | H3A' | sing | 1.09Å | 1.10Å | |
| O2A' | C2A' | sing | 1.43Å | 1.43Å | |
| C2A' | C1A' | sing | 1.55Å | 1.52Å | |
| C2A' | H2A' | sing | 1.09Å | 1.10Å | |
| O2A' | H2AA | sing | 0.97Å | 0.95Å | |
| N9A | C1A' | sing | 1.46Å | 1.48Å | |
| C1A' | O4A' | sing | 1.44Å | 1.44Å | |
| C1A' | H1A' | sing | 1.09Å | 1.10Å | |
| C8A | N9A | sing | 1.36Å | 1.35Å | Aromatic |
| N9A | C4A | sing | 1.37Å | 1.34Å | Aromatic |
| C5A | C4A | sing | 1.40Å | 1.38Å | Aromatic |
| C4A | N3A | doub | 1.33Å | 1.36Å | Aromatic |
| N7A | C5A | sing | 1.36Å | 1.35Å | Aromatic |
| C5A | C6A | doub | 1.40Å | 1.40Å | Aromatic |
| N6A | C6A | sing | 1.38Å | 1.35Å | |
| C6A | N1A | sing | 1.33Å | 1.36Å | Aromatic |
| N6A | HN6A | sing | 0.97Å | 1.00Å | |
| N6A | HN6B | sing | 0.97Å | 1.00Å | |
| N1A | C2A | doub | 1.32Å | 1.34Å | Aromatic |
| N3A | C2A | sing | 1.32Å | 1.34Å | Aromatic |
| C2A | H2A | sing | 1.08Å | 1.08Å | |
| N7A | C8A | doub | 1.30Å | 1.35Å | Aromatic |
| C8A | H8A | sing | 1.08Å | 1.08Å | |
| C4A' | O4A' | sing | 1.44Å | 1.44Å | |
| C5A' | C4A' | sing | 1.53Å | 1.53Å | |
| C4A' | H4A' | sing | 1.09Å | 1.10Å | |
| O5A' | C5A' | sing | 1.43Å | 1.43Å | |
| C5A' | H5A' | sing | 1.09Å | 1.10Å | |
| C5A' | H5AA | sing | 1.09Å | 1.10Å | |
| P1A | O5A' | sing | 1.61Å | 1.61Å | |
| O1A | P1A | doub | 1.48Å | 1.51Å | |
| P1A | O2A | sing | 1.61Å | 1.52Å | |
| P1A | O3A | sing | 1.61Å | 1.62Å | |
| O2A | HO2A | sing | 0.97Å | 0.95Å | |
| O3A | P2A | sing | 1.61Å | 1.62Å | |
| O4A | P2A | doub | 1.48Å | 1.50Å | |
| P2A | O6A | sing | 1.61Å | 1.61Å | |
| P2A | O5A | sing | 1.61Å | 1.51Å | |
| O5A | HO5A | sing | 0.97Å | 0.95Å | |
| CCP | O6A | sing | 1.43Å | 1.42Å | |
| CBP | CCP | sing | 1.53Å | 1.53Å | |
| CCP | HCP | sing | 1.09Å | 1.10Å | |
| CCP | HCPA | sing | 1.09Å | 1.10Å | |
| CAP | CBP | sing | 1.53Å | 1.53Å | |
| CDP | CBP | sing | 1.53Å | 1.53Å | |
| CBP | CEP | sing | 1.53Å | 1.53Å | |
| 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 | |
| C9P | CAP | sing | 1.51Å | 1.51Å | |
| CAP | OAP | sing | 1.43Å | 1.43Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| OAP | HOAP | sing | 0.97Å | 0.95Å | |
| O9P | C9P | doub | 1.21Å | 1.33Å | |
| C9P | N8P | sing | 1.35Å | 1.27Å | |
| C7P | N8P | sing | 1.46Å | 1.46Å | |
| N8P | HN8P | sing | 0.97Å | 1.00Å | |
| C6P | C7P | sing | 1.53Å | 1.53Å | |
| C7P | H7P | sing | 1.09Å | 1.10Å | |
| C7P | H7PA | sing | 1.09Å | 1.10Å | |
| C5P | C6P | sing | 1.51Å | 1.52Å | |
| C6P | H6P | sing | 1.09Å | 1.10Å | |
| C6P | H6PA | sing | 1.09Å | 1.10Å | |
| O5P | C5P | doub | 1.21Å | 1.22Å | |
| C5P | N4P | sing | 1.35Å | 1.34Å | |
| C3P | N4P | sing | 1.47Å | 1.48Å | |
| N4P | HN4P | sing | 0.97Å | 1.00Å | |
| C2P | C3P | sing | 1.53Å | 1.53Å | |
| C3P | H3P | sing | 1.09Å | 1.10Å | |
| C3P | H3PA | sing | 1.09Å | 1.10Å | |
| S1P | C2P | sing | 1.81Å | 1.78Å | |
| C2P | H2P | sing | 1.09Å | 1.10Å | |
| C2P | H2PA | sing | 1.09Å | 1.10Å | |
| S1P | C1 | sing | 1.81Å | 1.66Å | |
| C1 | C | sing | 1.51Å | 1.34Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1' | C | sing | 1.47Å | 1.50Å | |
| C | O2 | doub | 1.21Å | 1.21Å | |
| C2 | C1' | doub | 1.40Å | 1.40Å | Aromatic |
| C1' | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | CL4A | sing | 1.74Å | 1.79Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P3A | O7A | HO7A | 109.5° | 114.0° |
| O7A | P3A | O8A | 113.7° | 109.5° |
| O7A | P3A | O9A | 115.0° | 109.5° |
| O7A | P3A | O3A' | 102.8° | 109.5° |
| O8A | P3A | O9A | 113.0° | 109.5° |
| O8A | P3A | O3A' | 105.5° | 109.5° |
| O9A | P3A | O3A' | 105.3° | 109.5° |
| P3A | O9A | HO9A | 109.5° | 114.0° |
| P3A | O3A' | C3A' | 122.5° | 123.0° |
| O3A' | C3A' | C2A' | 112.8° | 110.5° |
| O3A' | C3A' | C4A' | 109.1° | 110.5° |
| O3A' | C3A' | H3A' | 105.9° | 110.4° |
| C2A' | C3A' | C4A' | 104.1° | 104.2° |
| C2A' | C3A' | H3A' | 110.7° | 110.6° |
| C3A' | C2A' | O2A' | 113.4° | 110.9° |
| C3A' | C2A' | C1A' | 103.6° | 102.1° |
| C3A' | C2A' | H2A' | 111.7° | 110.9° |
| C4A' | C3A' | H3A' | 114.4° | 110.5° |
| C3A' | C4A' | O4A' | 107.6° | 107.3° |
| C3A' | C4A' | C5A' | 111.9° | 109.9° |
| C3A' | C4A' | H4A' | 109.3° | 109.9° |
| O2A' | C2A' | C1A' | 111.9° | 110.9° |
| O2A' | C2A' | H2A' | 103.3° | 110.9° |
| C2A' | O2A' | H2AA | 109.5° | 114.0° |
| C1A' | C2A' | H2A' | 113.2° | 110.9° |
| C2A' | C1A' | N9A | 112.1° | 110.6° |
| C2A' | C1A' | O4A' | 106.1° | 103.5° |
| C2A' | C1A' | H1A' | 110.6° | 110.6° |
| N9A | C1A' | O4A' | 111.2° | 110.6° |
| N9A | C1A' | H1A' | 105.5° | 110.7° |
| C1A' | N9A | C8A | 127.5° | 126.2° |
| C1A' | N9A | C4A | 124.2° | 126.3° |
| O4A' | C1A' | H1A' | 111.4° | 110.6° |
| C1A' | O4A' | C4A' | 110.0° | 107.0° |
| C8A | N9A | C4A | 108.3° | 107.4° |
| N9A | C8A | N7A | 109.2° | 110.0° |
| N9A | C8A | H8A | 125.4° | 125.0° |
| N9A | C4A | C5A | 107.5° | 106.0° |
| N9A | C4A | N3A | 132.4° | 134.9° |
| C5A | C4A | N3A | 120.1° | 119.1° |
| C4A | C5A | N7A | 107.7° | 107.2° |
| C4A | C5A | C6A | 118.4° | 118.2° |
| C4A | N3A | C2A | 120.5° | 120.6° |
| N7A | C5A | C6A | 133.9° | 134.7° |
| C5A | N7A | C8A | 107.3° | 109.4° |
| C5A | C6A | N6A | 120.9° | 120.8° |
| C5A | C6A | N1A | 119.1° | 118.5° |
| N6A | C6A | N1A | 119.9° | 120.7° |
| C6A | N6A | HN6A | 109.5° | 120.0° |
| C6A | N6A | HN6B | 109.5° | 120.0° |
| C6A | N1A | C2A | 121.1° | 121.2° |
| HN6A | N6A | HN6B | 109.5° | 120.0° |
| N1A | C2A | N3A | 120.8° | 122.5° |
| N1A | C2A | H2A | 119.6° | 118.8° |
| N3A | C2A | H2A | 119.6° | 118.7° |
| N7A | C8A | H8A | 125.4° | 125.0° |
| O4A' | C4A' | C5A' | 110.0° | 109.9° |
| O4A' | C4A' | H4A' | 111.2° | 109.8° |
| C5A' | C4A' | H4A' | 106.8° | 110.0° |
| C4A' | C5A' | O5A' | 111.3° | 109.5° |
| C4A' | C5A' | H5A' | 108.8° | 109.5° |
| C4A' | C5A' | H5AA | 108.4° | 109.5° |
| O5A' | C5A' | H5A' | 108.9° | 109.5° |
| O5A' | C5A' | H5AA | 108.4° | 109.5° |
| C5A' | O5A' | P1A | 120.6° | 123.0° |
| H5A' | C5A' | H5AA | 111.0° | 109.4° |
| O5A' | P1A | O1A | 108.5° | 109.4° |
| O5A' | P1A | O2A | 107.1° | 109.5° |
| O5A' | P1A | O3A | 102.0° | 109.4° |
| O1A | P1A | O2A | 119.6° | 109.5° |
| O1A | P1A | O3A | 108.0° | 109.4° |
| O2A | P1A | O3A | 110.1° | 109.5° |
| P1A | O2A | HO2A | 109.5° | 113.9° |
| P1A | O3A | P2A | 123.5° | 134.0° |
| O3A | P2A | O4A | 107.6° | 109.5° |
| O3A | P2A | O6A | 102.6° | 109.5° |
| O3A | P2A | O5A | 109.3° | 109.5° |
| O4A | P2A | O6A | 109.7° | 109.5° |
| O4A | P2A | O5A | 120.4° | 109.4° |
| O6A | P2A | O5A | 105.8° | 109.5° |
| P2A | O6A | CCP | 121.2° | 123.0° |
| P2A | O5A | HO5A | 109.5° | 114.0° |
| O6A | CCP | CBP | 111.4° | 109.4° |
| O6A | CCP | HCP | 108.8° | 109.5° |
| O6A | CCP | HCPA | 108.4° | 109.4° |
| CBP | CCP | HCP | 108.8° | 109.5° |
| CBP | CCP | HCPA | 108.4° | 109.4° |
| CCP | CBP | CAP | 105.6° | 109.5° |
| CCP | CBP | CDP | 109.0° | 109.5° |
| CCP | CBP | CEP | 110.5° | 109.4° |
| HCP | CCP | HCPA | 111.0° | 109.5° |
| CAP | CBP | CDP | 111.6° | 109.5° |
| CAP | CBP | CEP | 110.8° | 109.4° |
| CBP | CAP | C9P | 113.9° | 109.4° |
| CBP | CAP | OAP | 109.1° | 109.5° |
| CBP | CAP | HAP | 107.4° | 109.5° |
| CDP | CBP | CEP | 109.3° | 109.5° |
| CBP | CDP | HDP | 109.5° | 109.5° |
| CBP | CDP | HDPA | 109.4° | 109.5° |
| CBP | CDP | HDPB | 109.5° | 109.5° |
| CBP | CEP | HEP | 109.5° | 109.5° |
| CBP | CEP | HEPA | 109.5° | 109.5° |
| CBP | CEP | HEPB | 109.5° | 109.5° |
| HDP | CDP | HDPA | 109.5° | 109.5° |
| HDP | CDP | HDPB | 109.5° | 109.4° |
| HDPA | CDP | HDPB | 109.5° | 109.5° |
| HEP | CEP | HEPA | 109.5° | 109.4° |
| HEP | CEP | HEPB | 109.4° | 109.5° |
| HEPA | CEP | HEPB | 109.5° | 109.4° |
| C9P | CAP | OAP | 111.6° | 109.5° |
| C9P | CAP | HAP | 104.7° | 109.4° |
| CAP | C9P | O9P | 119.3° | 120.0° |
| CAP | C9P | N8P | 120.7° | 120.0° |
| OAP | CAP | HAP | 110.0° | 109.5° |
| CAP | OAP | HOAP | 109.5° | 114.0° |
| O9P | C9P | N8P | 120.0° | 120.0° |
| C9P | N8P | C7P | 125.4° | 120.0° |
| C9P | N8P | HN8P | 117.3° | 120.0° |
| C7P | N8P | HN8P | 117.3° | 120.0° |
| N8P | C7P | C6P | 107.6° | 109.5° |
| N8P | C7P | H7P | 110.1° | 109.5° |
| N8P | C7P | H7PA | 110.6° | 109.5° |
| C6P | C7P | H7P | 110.1° | 109.5° |
| C6P | C7P | H7PA | 110.5° | 109.5° |
| C7P | C6P | C5P | 108.7° | 109.5° |
| C7P | C6P | H6P | 109.7° | 109.5° |
| C7P | C6P | H6PA | 109.9° | 109.5° |
| H7P | C7P | H7PA | 108.0° | 109.5° |
| C5P | C6P | H6P | 109.7° | 109.5° |
| C5P | C6P | H6PA | 109.9° | 109.5° |
| C6P | C5P | O5P | 118.7° | 120.0° |
| C6P | C5P | N4P | 117.8° | 120.0° |
| H6P | C6P | H6PA | 108.9° | 109.4° |
| O5P | C5P | N4P | 123.5° | 120.0° |
| C5P | N4P | C3P | 130.3° | 120.0° |
| C5P | N4P | HN4P | 114.9° | 120.0° |
| C3P | N4P | HN4P | 114.9° | 120.1° |
| N4P | C3P | C2P | 108.4° | 109.5° |
| N4P | C3P | H3P | 109.8° | 109.4° |
| N4P | C3P | H3PA | 110.1° | 109.5° |
| C2P | C3P | H3P | 109.9° | 109.5° |
| C2P | C3P | H3PA | 110.1° | 109.5° |
| C3P | C2P | S1P | 113.1° | 109.5° |
| C3P | C2P | H2P | 108.3° | 109.5° |
| C3P | C2P | H2PA | 107.5° | 109.5° |
| H3P | C3P | H3PA | 108.6° | 109.5° |
| S1P | C2P | H2P | 108.3° | 109.5° |
| S1P | C2P | H2PA | 107.4° | 109.5° |
| C2P | S1P | C1 | 98.3° | 103.0° |
| H2P | C2P | H2PA | 112.4° | 109.4° |
| S1P | C1 | C | 130.0° | 109.5° |
| S1P | C1 | H1 | 103.1° | 109.5° |
| S1P | C1 | H1A | 98.4° | 109.5° |
| C | C1 | H1 | 103.1° | 109.4° |
| C | C1 | H1A | 98.4° | 109.5° |
| C1 | C | C1' | 127.2° | 120.0° |
| C1 | C | O2 | 115.0° | 120.0° |
| H1 | C1 | H1A | 127.4° | 109.4° |
| C1' | C | O2 | 117.8° | 120.1° |
| C | C1' | C2 | 123.1° | 120.2° |
| C | C1' | C6 | 116.8° | 120.2° |
| C2 | C1' | C6 | 120.1° | 119.6° |
| C1' | C2 | C3 | 119.9° | 119.9° |
| C1' | C2 | H2 | 120.1° | 120.1° |
| C1' | C6 | C5 | 120.1° | 119.9° |
| C1' | C6 | H6 | 120.0° | 120.1° |
| C5 | C6 | H6 | 120.0° | 120.1° |
| C6 | C5 | C4 | 119.9° | 120.2° |
| C6 | C5 | H5 | 120.0° | 119.9° |
| C4 | C5 | H5 | 120.0° | 119.9° |
| C5 | C4 | C3 | 120.8° | 120.3° |
| C5 | C4 | CL4A | 117.6° | 119.8° |
| C3 | C2 | H2 | 120.0° | 120.1° |
| C2 | C3 | C4 | 119.1° | 120.2° |
| C2 | C3 | H3 | 120.5° | 119.9° |
| C4 | C3 | H3 | 120.4° | 119.9° |
| C3 | C4 | CL4A | 121.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7A | P3A | O8A | O9A | 133.5° | 120.0° |
| O7A | P3A | O8A | O3A' | 111.9° | 120.0° |
| O7A | P3A | O9A | O3A' | 112.4° | 120.0° |
| O7A | P3A | O9A | HO9A | 53.7° | 60.0° |
| O7A | P3A | O3A' | C3A' | 175.8° | 175.0° |
| HO7A | O7A | P3A | O8A | 124.2° | 60.0° |
| HO7A | O7A | P3A | O9A | 103.2° | 60.0° |
| HO7A | O7A | P3A | O3A' | 10.7° | 180.0° |
| O8A | P3A | O9A | O3A' | 114.7° | 120.0° |
| O8A | P3A | O9A | HO9A | 173.4° | 180.0° |
| O8A | P3A | O3A' | C3A' | 64.8° | 55.0° |
| O9A | P3A | O3A' | C3A' | 55.0° | 65.0° |
| O3A' | P3A | O9A | HO9A | 58.7° | 60.0° |
| P3A | O3A' | C3A' | C2A' | 95.8° | 125.2° |
| P3A | O3A' | C3A' | C4A' | 149.0° | 120.0° |
| P3A | O3A' | C3A' | H3A' | 25.4° | 2.5° |
| O3A' | C3A' | C2A' | C4A' | 118.1° | 118.7° |
| O3A' | C3A' | C2A' | H3A' | 118.5° | 122.5° |
| O3A' | C3A' | C4A' | H3A' | 118.4° | 122.5° |
| O3A' | C3A' | C2A' | O2A' | 30.6° | 20.3° |
| O3A' | C3A' | C2A' | C1A' | 90.9° | 97.8° |
| O3A' | C3A' | C2A' | H2A' | 146.9° | 144.0° |
| O3A' | C3A' | C4A' | O4A' | 104.1° | 120.7° |
| O3A' | C3A' | C4A' | C5A' | 134.9° | 119.8° |
| O3A' | C3A' | C4A' | H4A' | 16.7° | 1.3° |
| C2A' | C3A' | C4A' | H3A' | 121.0° | 118.8° |
| C3A' | C2A' | O2A' | C1A' | 116.8° | 112.7° |
| C3A' | C2A' | O2A' | H2A' | 121.1° | 123.7° |
| C3A' | C2A' | C1A' | H2A' | 121.2° | 118.2° |
| C3A' | C2A' | O2A' | H2AA | 90.8° | 180.0° |
| C3A' | C2A' | C1A' | N9A | 150.5° | 155.5° |
| C3A' | C2A' | C1A' | O4A' | 28.9° | 37.0° |
| C3A' | C2A' | C1A' | H1A' | 92.1° | 81.5° |
| C2A' | C3A' | C4A' | O4A' | 16.5° | 2.0° |
| C2A' | C3A' | C4A' | C5A' | 104.4° | 121.4° |
| C2A' | C3A' | C4A' | H4A' | 137.4° | 117.4° |
| C4A' | C3A' | C2A' | O2A' | 148.8° | 139.1° |
| C4A' | C3A' | C2A' | C1A' | 27.2° | 20.9° |
| C4A' | C3A' | C2A' | H2A' | 95.0° | 97.2° |
| C3A' | C4A' | O4A' | C1A' | 1.7° | 26.5° |
| C3A' | C4A' | O4A' | C5A' | 122.2° | 119.5° |
| C3A' | C4A' | O4A' | H4A' | 119.7° | 119.4° |
| C3A' | C4A' | C5A' | H4A' | 119.6° | 121.1° |
| C3A' | C4A' | C5A' | O5A' | 36.1° | 175.0° |
| C3A' | C4A' | C5A' | H5A' | 156.1° | 55.0° |
| C3A' | C4A' | C5A' | H5AA | 83.1° | 65.0° |
| H3A' | C3A' | C2A' | O2A' | 87.9° | 102.2° |
| H3A' | C3A' | C2A' | C1A' | 150.6° | 139.6° |
| H3A' | C3A' | C2A' | H2A' | 28.4° | 21.5° |
| H3A' | C3A' | C4A' | O4A' | 137.5° | 116.8° |
| H3A' | C3A' | C4A' | C5A' | 16.5° | 2.6° |
| H3A' | C3A' | C4A' | H4A' | 101.6° | 123.8° |
| O2A' | C2A' | C1A' | H2A' | 116.3° | 123.6° |
| O2A' | C2A' | C1A' | N9A | 86.9° | 86.3° |
| O2A' | C2A' | C1A' | O4A' | 151.5° | 155.2° |
| O2A' | C2A' | C1A' | H1A' | 30.5° | 36.7° |
| C1A' | C2A' | O2A' | H2AA | 152.5° | 67.3° |
| C2A' | C1A' | N9A | O4A' | 118.7° | 114.1° |
| C2A' | C1A' | N9A | H1A' | 120.4° | 123.0° |
| C2A' | C1A' | O4A' | H1A' | 120.5° | 118.5° |
| C2A' | C1A' | N9A | C8A | 42.4° | 95.3° |
| C2A' | C1A' | N9A | C4A | 137.8° | 85.0° |
| C2A' | C1A' | O4A' | C4A' | 19.3° | 40.0° |
| H2A' | C2A' | O2A' | H2AA | 30.3° | 56.3° |
| H2A' | C2A' | C1A' | N9A | 29.4° | 37.3° |
| H2A' | C2A' | C1A' | O4A' | 92.3° | 81.2° |
| H2A' | C2A' | C1A' | H1A' | 146.7° | 160.3° |
| N9A | C1A' | O4A' | H1A' | 117.4° | 123.0° |
| C1A' | N9A | C8A | C4A | 179.9° | 179.7° |
| C1A' | N9A | C4A | C5A | 179.9° | 180.0° |
| C1A' | N9A | C4A | N3A | 0.1° | 0.0° |
| C1A' | N9A | C8A | N7A | 179.8° | 179.8° |
| C1A' | N9A | C8A | H8A | 0.2° | 0.3° |
| N9A | C1A' | O4A' | C4A' | 141.5° | 158.5° |
| O4A' | C1A' | N9A | C8A | 76.3° | 18.8° |
| O4A' | C1A' | N9A | C4A | 103.6° | 160.9° |
| C1A' | O4A' | C4A' | C5A' | 123.8° | 146.0° |
| C1A' | O4A' | C4A' | H4A' | 118.0° | 93.0° |
| H1A' | C1A' | N9A | C8A | 162.8° | 141.7° |
| H1A' | C1A' | N9A | C4A | 17.4° | 37.9° |
| H1A' | C1A' | O4A' | C4A' | 101.1° | 78.5° |
| C8A | N9A | C4A | C5A | 0.3° | 0.3° |
| C8A | N9A | C4A | N3A | 180.0° | 179.7° |
| N9A | C8A | N7A | C5A | 0.3° | 0.5° |
| N9A | C8A | N7A | H8A | 180.0° | 179.5° |
| N9A | C4A | C5A | N3A | 179.8° | 180.0° |
| N9A | C4A | C5A | N7A | 0.1° | 0.0° |
| N9A | C4A | C5A | C6A | 180.0° | 180.0° |
| N9A | C4A | N3A | C2A | 180.0° | 180.0° |
| C4A | N9A | C8A | N7A | 0.3° | 0.5° |
| C4A | N9A | C8A | H8A | 179.7° | 180.0° |
| C4A | C5A | N7A | C6A | 179.8° | 179.9° |
| C4A | C5A | C6A | N6A | 180.0° | 180.0° |
| C4A | C5A | C6A | N1A | 0.1° | 0.0° |
| C5A | C4A | N3A | C2A | 0.3° | 0.0° |
| C4A | C5A | N7A | C8A | 0.1° | 0.3° |
| N3A | C4A | C5A | N7A | 179.9° | 180.0° |
| N3A | C4A | C5A | C6A | 0.3° | 0.0° |
| C4A | N3A | C2A | N1A | 0.1° | 0.0° |
| C4A | N3A | C2A | H2A | 179.9° | 180.0° |
| N7A | C5A | C6A | N6A | 0.2° | 0.0° |
| N7A | C5A | C6A | N1A | 179.9° | 180.0° |
| C5A | N7A | C8A | H8A | 179.8° | 180.0° |
| C5A | C6A | N6A | N1A | 180.0° | 180.0° |
| C5A | C6A | N6A | HN6A | 61.1° | 0.0° |
| C5A | C6A | N6A | HN6B | 178.9° | 180.0° |
| C5A | C6A | N1A | C2A | 0.1° | 0.0° |
| C6A | C5A | N7A | C8A | 179.7° | 179.7° |
| C6A | N6A | HN6A | HN6B | 120.0° | 179.9° |
| N6A | C6A | N1A | C2A | 179.8° | 180.0° |
| N1A | C6A | N6A | HN6A | 118.9° | 180.0° |
| N1A | C6A | N6A | HN6B | 1.2° | 0.0° |
| C6A | N1A | C2A | N3A | 0.1° | 0.0° |
| C6A | N1A | C2A | H2A | 179.9° | 180.0° |
| N1A | C2A | N3A | H2A | 180.0° | 180.0° |
| O4A' | C4A' | C5A' | H4A' | 120.9° | 121.0° |
| O4A' | C4A' | C5A' | O5A' | 83.4° | 67.1° |
| O4A' | C4A' | C5A' | H5A' | 36.6° | 172.9° |
| O4A' | C4A' | C5A' | H5AA | 157.4° | 52.9° |
| C4A' | C5A' | O5A' | H5A' | 120.0° | 120.0° |
| C4A' | C5A' | O5A' | H5AA | 119.2° | 120.1° |
| C4A' | C5A' | H5A' | H5AA | 119.2° | 120.0° |
| C4A' | C5A' | O5A' | P1A | 147.1° | 180.0° |
| H4A' | C4A' | C5A' | O5A' | 155.7° | 53.9° |
| H4A' | C4A' | C5A' | H5A' | 84.3° | 66.2° |
| H4A' | C4A' | C5A' | H5AA | 36.5° | 173.9° |
| O5A' | C5A' | H5A' | H5AA | 119.2° | 119.9° |
| C5A' | O5A' | P1A | O1A | 171.8° | 55.1° |
| C5A' | O5A' | P1A | O2A | 57.8° | 65.0° |
| C5A' | O5A' | P1A | O3A | 57.9° | 175.0° |
| H5A' | C5A' | O5A' | P1A | 27.1° | 59.9° |
| H5AA | C5A' | O5A' | P1A | 93.7° | 60.0° |
| O5A' | P1A | O1A | O2A | 123.2° | 120.0° |
| O5A' | P1A | O1A | O3A | 109.9° | 119.9° |
| O5A' | P1A | O2A | O3A | 110.2° | 120.0° |
| O5A' | P1A | O2A | HO2A | 63.4° | 60.1° |
| O5A' | P1A | O3A | P2A | 147.2° | 160.0° |
| O1A | P1A | O2A | O3A | 125.9° | 120.0° |
| O1A | P1A | O2A | HO2A | 172.7° | 179.9° |
| O1A | P1A | O3A | P2A | 98.5° | 40.0° |
| O2A | P1A | O3A | P2A | 33.7° | 80.0° |
| O3A | P1A | O2A | HO2A | 46.8° | 59.9° |
| P1A | O3A | P2A | O4A | 49.6° | 45.0° |
| P1A | O3A | P2A | O6A | 165.3° | 165.0° |
| P1A | O3A | P2A | O5A | 82.7° | 75.0° |
| O3A | P2A | O4A | O6A | 110.9° | 120.0° |
| O3A | P2A | O4A | O5A | 126.0° | 120.0° |
| O3A | P2A | O6A | O5A | 114.6° | 120.0° |
| O3A | P2A | O5A | HO5A | 73.2° | 60.0° |
| O3A | P2A | O6A | CCP | 52.7° | 175.0° |
| O4A | P2A | O6A | O5A | 131.3° | 120.0° |
| O4A | P2A | O5A | HO5A | 161.6° | 180.0° |
| O4A | P2A | O6A | CCP | 61.5° | 55.0° |
| O6A | P2A | O5A | HO5A | 36.7° | 60.0° |
| P2A | O6A | CCP | CBP | 121.2° | 180.0° |
| P2A | O6A | CCP | HCP | 1.2° | 60.0° |
| P2A | O6A | CCP | HCPA | 119.6° | 60.0° |
| O5A | P2A | O6A | CCP | 167.2° | 65.0° |
| O6A | CCP | CBP | HCP | 120.0° | 120.0° |
| O6A | CCP | CBP | HCPA | 119.2° | 119.9° |
| O6A | CCP | HCP | HCPA | 119.2° | 120.0° |
| O6A | CCP | CBP | CAP | 178.4° | 180.0° |
| O6A | CCP | CBP | CDP | 58.4° | 60.0° |
| O6A | CCP | CBP | CEP | 61.8° | 60.0° |
| CBP | CCP | HCP | HCPA | 119.2° | 120.0° |
| CCP | CBP | CAP | CDP | 118.3° | 120.1° |
| CCP | CBP | CAP | CEP | 119.7° | 119.9° |
| CCP | CBP | CDP | CEP | 120.9° | 120.0° |
| CCP | CBP | CDP | HDP | 80.5° | 65.3° |
| CCP | CBP | CDP | HDPA | 39.5° | 174.7° |
| CCP | CBP | CDP | HDPB | 159.5° | 54.7° |
| CCP | CBP | CEP | HEP | 174.7° | 53.2° |
| CCP | CBP | CEP | HEPA | 54.7° | 173.2° |
| CCP | CBP | CEP | HEPB | 65.3° | 66.8° |
| CCP | CBP | CAP | C9P | 169.2° | 54.4° |
| CCP | CBP | CAP | OAP | 65.5° | 65.6° |
| CCP | CBP | CAP | HAP | 53.7° | 174.3° |
| HCP | CCP | CBP | CAP | 58.4° | 60.0° |
| HCP | CCP | CBP | CDP | 61.6° | 180.0° |
| HCP | CCP | CBP | CEP | 178.2° | 60.0° |
| HCPA | CCP | CBP | CAP | 62.4° | 60.1° |
| HCPA | CCP | CBP | CDP | 177.6° | 60.0° |
| HCPA | CCP | CBP | CEP | 57.4° | 180.0° |
| CAP | CBP | CDP | CEP | 122.9° | 120.0° |
| CAP | CBP | CDP | HDP | 163.3° | 174.6° |
| CAP | CBP | CDP | HDPA | 76.7° | 54.6° |
| CAP | CBP | CDP | HDPB | 43.3° | 65.4° |
| CAP | CBP | CEP | HEP | 58.1° | 66.7° |
| CAP | CBP | CEP | HEPA | 62.0° | 53.2° |
| CAP | CBP | CEP | HEPB | 178.0° | 173.2° |
| CBP | CAP | C9P | OAP | 124.0° | 120.0° |
| CBP | CAP | C9P | HAP | 117.1° | 120.0° |
| CBP | CAP | OAP | HAP | 117.6° | 120.0° |
| CBP | CAP | OAP | HOAP | 165.6° | 59.9° |
| CBP | CAP | C9P | O9P | 69.0° | 109.3° |
| CBP | CAP | C9P | N8P | 112.1° | 70.8° |
| 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 | 65.3° | 173.3° |
| CDP | CBP | CEP | HEPA | 174.6° | 66.8° |
| CDP | CBP | CEP | HEPB | 54.6° | 53.2° |
| CDP | CBP | CAP | C9P | 50.9° | 65.7° |
| CDP | CBP | CAP | OAP | 176.2° | 174.3° |
| CDP | CBP | CAP | HAP | 64.6° | 54.3° |
| CEP | CBP | CDP | HDP | 40.4° | 54.7° |
| CEP | CBP | CDP | HDPA | 160.4° | 65.3° |
| CEP | CBP | CDP | HDPB | 79.6° | 174.6° |
| CBP | CEP | HEP | HEPA | 120.0° | 120.0° |
| CBP | CEP | HEP | HEPB | 120.0° | 120.1° |
| CBP | CEP | HEPA | HEPB | 120.0° | 120.0° |
| CEP | CBP | CAP | C9P | 71.1° | 174.3° |
| CEP | CBP | CAP | OAP | 54.2° | 54.3° |
| CEP | CBP | CAP | HAP | 173.3° | 65.7° |
| HDP | CDP | HDPA | HDPB | 120.0° | 120.0° |
| HEP | CEP | HEPA | HEPB | 120.0° | 119.9° |
| C9P | CAP | OAP | HAP | 115.8° | 120.0° |
| C9P | CAP | OAP | HOAP | 67.7° | 60.0° |
| CAP | C9P | O9P | N8P | 178.9° | 180.0° |
| CAP | C9P | N8P | C7P | 179.6° | 175.2° |
| CAP | C9P | N8P | HN8P | 0.4° | 4.8° |
| OAP | CAP | C9P | O9P | 167.1° | 10.8° |
| OAP | CAP | C9P | N8P | 11.8° | 169.2° |
| HAP | CAP | OAP | HOAP | 48.1° | 180.0° |
| HAP | CAP | C9P | O9P | 48.1° | 130.8° |
| HAP | CAP | C9P | N8P | 130.8° | 49.2° |
| O9P | C9P | N8P | C7P | 0.7° | 4.8° |
| O9P | C9P | N8P | HN8P | 179.2° | 175.2° |
| C9P | N8P | C7P | HN8P | 180.0° | 180.0° |
| C9P | N8P | C7P | C6P | 118.8° | 180.0° |
| C9P | N8P | C7P | H7P | 121.2° | 60.0° |
| C9P | N8P | C7P | H7PA | 1.9° | 60.0° |
| N8P | C7P | C6P | H7P | 120.0° | 120.1° |
| N8P | C7P | C6P | H7PA | 120.8° | 120.0° |
| N8P | C7P | H7P | H7PA | 120.8° | 120.0° |
| N8P | C7P | C6P | C5P | 179.3° | 180.0° |
| N8P | C7P | C6P | H6P | 60.8° | 59.9° |
| N8P | C7P | C6P | H6PA | 59.0° | 60.0° |
| HN8P | N8P | C7P | C6P | 61.1° | 0.0° |
| HN8P | N8P | C7P | H7P | 58.9° | 120.0° |
| HN8P | N8P | C7P | H7PA | 178.1° | 120.0° |
| C6P | C7P | H7P | H7PA | 120.8° | 120.0° |
| C7P | C6P | C5P | H6P | 120.0° | 120.0° |
| C7P | C6P | C5P | H6PA | 120.3° | 120.0° |
| C7P | C6P | H6P | H6PA | 120.3° | 120.0° |
| C7P | C6P | C5P | O5P | 62.2° | 0.0° |
| C7P | C6P | C5P | N4P | 118.5° | 180.0° |
| H7P | C7P | C6P | C5P | 59.2° | 60.0° |
| H7P | C7P | C6P | H6P | 179.2° | 180.0° |
| H7P | C7P | C6P | H6PA | 61.1° | 60.1° |
| H7PA | C7P | C6P | C5P | 60.0° | 60.0° |
| H7PA | C7P | C6P | H6P | 60.0° | 60.0° |
| H7PA | C7P | C6P | H6PA | 179.7° | 180.0° |
| C5P | C6P | H6P | H6PA | 120.3° | 120.0° |
| C6P | C5P | O5P | N4P | 179.2° | 180.0° |
| C6P | C5P | N4P | C3P | 179.5° | 180.0° |
| C6P | C5P | N4P | HN4P | 0.5° | 0.0° |
| H6P | C6P | C5P | O5P | 57.8° | 120.0° |
| H6P | C6P | C5P | N4P | 121.5° | 60.0° |
| H6PA | C6P | C5P | O5P | 177.5° | 120.0° |
| H6PA | C6P | C5P | N4P | 1.8° | 60.0° |
| O5P | C5P | N4P | C3P | 1.3° | 0.0° |
| O5P | C5P | N4P | HN4P | 178.8° | 180.0° |
| C5P | N4P | C3P | HN4P | 180.0° | 179.9° |
| C5P | N4P | C3P | C2P | 82.3° | 180.0° |
| C5P | N4P | C3P | H3P | 157.7° | 60.0° |
| C5P | N4P | C3P | H3PA | 38.2° | 60.0° |
| N4P | C3P | C2P | H3P | 120.0° | 120.0° |
| N4P | C3P | C2P | H3PA | 120.4° | 120.0° |
| N4P | C3P | H3P | H3PA | 120.4° | 120.0° |
| N4P | C3P | C2P | S1P | 172.7° | 180.0° |
| N4P | C3P | C2P | H2P | 67.3° | 60.0° |
| N4P | C3P | C2P | H2PA | 54.3° | 60.0° |
| HN4P | N4P | C3P | C2P | 97.7° | 0.0° |
| HN4P | N4P | C3P | H3P | 22.3° | 120.0° |
| HN4P | N4P | C3P | H3PA | 141.8° | 120.0° |
| C2P | C3P | H3P | H3PA | 120.5° | 120.0° |
| C3P | C2P | S1P | H2P | 120.0° | 120.0° |
| C3P | C2P | S1P | H2PA | 118.4° | 120.0° |
| C3P | C2P | H2P | H2PA | 118.5° | 120.0° |
| C3P | C2P | S1P | C1 | 57.8° | 180.0° |
| H3P | C3P | C2P | S1P | 52.7° | 60.0° |
| H3P | C3P | C2P | H2P | 172.7° | 180.0° |
| H3P | C3P | C2P | H2PA | 65.7° | 60.0° |
| H3PA | C3P | C2P | S1P | 66.9° | 60.0° |
| H3PA | C3P | C2P | H2P | 53.1° | 60.0° |
| H3PA | C3P | C2P | H2PA | 174.7° | 180.0° |
| S1P | C2P | H2P | H2PA | 118.5° | 120.0° |
| C2P | S1P | C1 | C | 136.4° | 180.0° |
| C2P | S1P | C1 | H1 | 103.6° | 60.0° |
| C2P | S1P | C1 | H1A | 28.0° | 60.0° |
| H2P | C2P | S1P | C1 | 177.9° | 60.0° |
| H2PA | C2P | S1P | C1 | 60.6° | 60.0° |
| S1P | C1 | C | H1 | 120.0° | 120.0° |
| S1P | C1 | C | H1A | 108.3° | 120.0° |
| S1P | C1 | H1 | H1A | 111.5° | 120.0° |
| S1P | C1 | C | C1' | 3.8° | 180.0° |
| S1P | C1 | C | O2 | 176.1° | 0.0° |
| C | C1 | H1 | H1A | 111.5° | 120.0° |
| C1 | C | C1' | O2 | 179.9° | 179.9° |
| C1 | C | C1' | C2 | 45.9° | 0.3° |
| C1 | C | C1' | C6 | 136.2° | 180.0° |
| H1 | C1 | C | C1' | 116.2° | 60.0° |
| H1 | C1 | C | O2 | 63.9° | 120.0° |
| H1A | C1 | C | C1' | 112.1° | 59.9° |
| H1A | C1 | C | O2 | 67.8° | 120.0° |
| C | C1' | C2 | C6 | 177.8° | 179.7° |
| C | C1' | C6 | C5 | 179.6° | 180.0° |
| C | C1' | C6 | H6 | 0.4° | 0.0° |
| C | C1' | C2 | C3 | 179.6° | 180.0° |
| C | C1' | C2 | H2 | 0.4° | 0.0° |
| O2 | C | C1' | C2 | 134.2° | 179.7° |
| O2 | C | C1' | C6 | 43.7° | 0.1° |
| C2 | C1' | C6 | C5 | 1.6° | 0.3° |
| C2 | C1' | C6 | H6 | 178.4° | 179.7° |
| C1' | C2 | C3 | H2 | 180.0° | 180.0° |
| C1' | C2 | C3 | C4 | 1.0° | 0.0° |
| C1' | C2 | C3 | H3 | 179.0° | 180.0° |
| C1' | C6 | C5 | H6 | 180.0° | 180.0° |
| C1' | C6 | C5 | C4 | 0.7° | 0.0° |
| C1' | C6 | C5 | H5 | 179.3° | 180.0° |
| C6 | C1' | C2 | C3 | 1.8° | 0.3° |
| C6 | C1' | C2 | H2 | 178.2° | 179.7° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.0° | 0.3° |
| C6 | C5 | C4 | CL4A | 179.8° | 180.0° |
| H6 | C6 | C5 | C4 | 179.3° | 180.0° |
| H6 | C6 | C5 | H5 | 0.7° | 0.0° |
| C5 | C4 | C3 | C2 | 0.1° | 0.3° |
| C5 | C4 | C3 | CL4A | 179.8° | 179.7° |
| C5 | C4 | C3 | H3 | 179.9° | 179.7° |
| H5 | C5 | C4 | C3 | 180.0° | 179.7° |
| H5 | C5 | C4 | CL4A | 0.2° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | CL4A | 180.0° | 180.0° |
| H2 | C2 | C3 | C4 | 179.0° | 180.0° |
| H2 | C2 | C3 | H3 | 1.0° | 0.0° |
| H3 | C3 | C4 | CL4A | 0.1° | 0.0° |
