MC4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S1P | C1 | sing | 1.76Å | 1.77Å | |
| O1 | C1 | sing | 1.35Å | 1.23Å | |
| C1 | C2 | doub | 1.38Å | 1.41Å | |
| C2 | C3 | sing | 1.39Å | 1.54Å | |
| C2 | C52 | sing | 1.51Å | 1.54Å | |
| C4 | C3 | sing | 1.51Å | 1.39Å | |
| C3 | O3 | doub | 1.22Å | 1.36Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C2A | N1A | doub | 1.32Å | 1.35Å | Aromatic |
| N1A | C6A | sing | 1.33Å | 1.35Å | Aromatic |
| P1A | O1A | sing | 1.61Å | 1.51Å | |
| O1A | HO1A | sing | 0.97Å | 0.95Å | |
| O2A | P1A | doub | 1.48Å | 1.68Å | |
| O5B | P1A | sing | 1.61Å | 1.60Å | |
| P1A | O3A | sing | 1.61Å | 1.61Å | |
| C2B | C1B | sing | 1.54Å | 1.52Å | |
| C1B | O4B | sing | 1.44Å | 1.43Å | |
| C1B | N9A | sing | 1.47Å | 1.48Å | |
| C1B | H1B | sing | 1.09Å | 1.10Å | |
| C2P | S1P | sing | 1.81Å | 1.81Å | |
| N3A | C2A | sing | 1.32Å | 1.35Å | Aromatic |
| C2A | H2A | sing | 1.08Å | 1.08Å | |
| O4A | P2A | doub | 1.48Å | 1.69Å | |
| P2A | O3A | sing | 1.61Å | 1.62Å | |
| P2A | O5A | sing | 1.61Å | 1.51Å | |
| P2A | O6A | sing | 1.61Å | 1.61Å | |
| O2B | C2B | sing | 1.43Å | 1.43Å | |
| C3B | C2B | sing | 1.54Å | 1.51Å | |
| C2B | H2B | sing | 1.09Å | 1.10Å | |
| O2B | HO2B | sing | 0.97Å | 0.95Å | |
| C3P | C2P | sing | 1.53Å | 1.52Å | |
| C2P | H2P | sing | 1.09Å | 1.10Å | |
| C2P | H2PA | sing | 1.09Å | 1.10Å | |
| N3A | C4A | doub | 1.33Å | 1.34Å | Aromatic |
| O3B | C3B | sing | 1.43Å | 1.43Å | |
| C3B | C4B | sing | 1.54Å | 1.52Å | |
| C3B | H3B | sing | 1.09Å | 1.10Å | |
| P3B | O3B | sing | 1.61Å | 1.61Å | |
| O9A | P3B | doub | 1.48Å | 1.70Å | |
| P3B | O8A | sing | 1.61Å | 1.69Å | |
| P3B | O7A | sing | 1.61Å | 1.51Å | |
| N4P | C3P | sing | 1.47Å | 1.45Å | |
| C3P | H3P | sing | 1.09Å | 1.10Å | |
| C3P | H3PA | sing | 1.09Å | 1.10Å | |
| C4A | N9A | sing | 1.37Å | 1.33Å | Aromatic |
| C4A | C5A | sing | 1.41Å | 1.46Å | Aromatic |
| C4B | O4B | sing | 1.44Å | 1.43Å | |
| C4B | C5B | sing | 1.53Å | 1.52Å | |
| C4B | H4BA | sing | 1.09Å | 1.10Å | |
| C5P | N4P | sing | 1.35Å | 1.34Å | |
| N4P | HN4P | sing | 0.97Å | 1.00Å | |
| C52 | H52 | sing | 1.09Å | 1.10Å | |
| C52 | H52A | sing | 1.09Å | 1.10Å | |
| C52 | H52B | sing | 1.09Å | 1.10Å | |
| C5A | C6A | doub | 1.41Å | 1.48Å | Aromatic |
| C5A | N7A | sing | 1.35Å | 1.33Å | Aromatic |
| O5A | HO5A | sing | 0.97Å | 0.95Å | |
| O5B | C5B | sing | 1.43Å | 1.42Å | |
| C5B | H5B | sing | 1.09Å | 1.10Å | |
| C5B | H5BA | sing | 1.09Å | 1.10Å | |
| C6P | C5P | sing | 1.51Å | 1.51Å | |
| C5P | O5P | doub | 1.21Å | 1.23Å | |
| C6A | N6A | sing | 1.38Å | 1.35Å | |
| N6A | HN6A | sing | 0.97Å | 1.00Å | |
| N6A | HN6B | sing | 0.97Å | 1.00Å | |
| O6A | CCP | sing | 1.43Å | 1.43Å | |
| 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 | 1.46Å | |
| C7P | H7P | sing | 1.09Å | 1.10Å | |
| C7P | H7PA | sing | 1.09Å | 1.10Å | |
| N9A | C8A | sing | 1.36Å | 1.35Å | Aromatic |
| C8A | H8A | sing | 1.08Å | 1.08Å | |
| O8A | HO8A | sing | 0.97Å | 0.95Å | |
| C9P | N8P | sing | 1.35Å | 1.34Å | |
| N8P | HN8P | sing | 0.97Å | 1.00Å | |
| CAP | C9P | sing | 1.51Å | 1.51Å | |
| O9P | C9P | doub | 1.21Å | 1.22Å | |
| CAP | OAP | sing | 1.43Å | 1.44Å | |
| CAP | CBP | sing | 1.53Å | 1.54Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| OAP | HOAP | sing | 0.97Å | 0.95Å | |
| CCP | CBP | sing | 1.53Å | 1.52Å | |
| CEP | CBP | sing | 1.53Å | 1.53Å | |
| CBP | CDP | 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S1P | C1 | O1 | 118.0° | 120.0° |
| S1P | C1 | C2 | 122.3° | 120.0° |
| C1 | S1P | C2P | 100.9° | 100.0° |
| O1 | C1 | C2 | 119.7° | 120.0° |
| C1 | C2 | C3 | 123.5° | 120.0° |
| C1 | C2 | C52 | 118.2° | 120.0° |
| C3 | C2 | C52 | 118.3° | 120.0° |
| C2 | C3 | C4 | 123.5° | 120.0° |
| C2 | C3 | O3 | 116.4° | 120.0° |
| C2 | C52 | H52 | 109.5° | 109.5° |
| C2 | C52 | H52A | 109.5° | 109.5° |
| C2 | C52 | H52B | 109.4° | 109.5° |
| C4 | C3 | O3 | 120.1° | 120.0° |
| C3 | C4 | H4 | 109.5° | 109.5° |
| C3 | C4 | H4A | 109.5° | 109.5° |
| C3 | C4 | H4B | 109.4° | 109.5° |
| H4 | C4 | H4A | 109.5° | 109.4° |
| H4 | C4 | H4B | 109.5° | 109.5° |
| H4A | C4 | H4B | 109.5° | 109.4° |
| C2A | N1A | C6A | 122.2° | 121.2° |
| N1A | C2A | N3A | 124.0° | 122.4° |
| N1A | C2A | H2A | 118.0° | 118.8° |
| N1A | C6A | C5A | 115.9° | 118.5° |
| N1A | C6A | N6A | 121.9° | 120.8° |
| P1A | O1A | HO1A | 109.5° | 114.1° |
| O1A | P1A | O2A | 113.2° | 109.5° |
| O1A | P1A | O5B | 109.2° | 109.5° |
| O1A | P1A | O3A | 108.0° | 109.5° |
| O2A | P1A | O5B | 108.0° | 109.5° |
| O2A | P1A | O3A | 114.4° | 109.5° |
| O5B | P1A | O3A | 103.5° | 109.4° |
| P1A | O5B | C5B | 121.7° | 123.0° |
| P1A | O3A | P2A | 128.0° | 134.0° |
| C2B | C1B | O4B | 105.5° | 104.8° |
| C2B | C1B | N9A | 112.4° | 110.4° |
| C2B | C1B | H1B | 110.9° | 110.5° |
| C1B | C2B | O2B | 112.0° | 110.5° |
| C1B | C2B | C3B | 101.5° | 104.1° |
| C1B | C2B | H2B | 113.9° | 110.5° |
| O4B | C1B | N9A | 111.3° | 110.3° |
| O4B | C1B | H1B | 112.0° | 110.4° |
| C1B | O4B | C4B | 108.9° | 105.3° |
| N9A | C1B | H1B | 105.0° | 110.3° |
| C1B | N9A | C4A | 123.7° | 126.3° |
| C1B | N9A | C8A | 127.6° | 126.3° |
| S1P | C2P | C3P | 112.5° | 109.5° |
| S1P | C2P | H2P | 108.5° | 109.5° |
| S1P | C2P | H2PA | 107.8° | 109.5° |
| N3A | C2A | H2A | 118.0° | 118.8° |
| C2A | N3A | C4A | 119.9° | 120.6° |
| O4A | P2A | O3A | 113.4° | 109.4° |
| O4A | P2A | O5A | 113.1° | 109.4° |
| O4A | P2A | O6A | 109.0° | 109.5° |
| O3A | P2A | O5A | 107.5° | 109.4° |
| O3A | P2A | O6A | 103.4° | 109.5° |
| O5A | P2A | O6A | 110.0° | 109.5° |
| P2A | O5A | HO5A | 109.5° | 114.0° |
| P2A | O6A | CCP | 120.3° | 123.0° |
| O2B | C2B | C3B | 112.2° | 110.7° |
| O2B | C2B | H2B | 103.7° | 110.5° |
| C2B | O2B | HO2B | 109.5° | 114.1° |
| C3B | C2B | H2B | 113.8° | 110.5° |
| C2B | C3B | O3B | 108.9° | 110.5° |
| C2B | C3B | C4B | 103.4° | 104.1° |
| C2B | C3B | H3B | 114.0° | 110.5° |
| C3P | C2P | H2P | 108.5° | 109.5° |
| C3P | C2P | H2PA | 107.8° | 109.4° |
| C2P | C3P | N4P | 111.9° | 109.5° |
| C2P | C3P | H3P | 108.7° | 109.5° |
| C2P | C3P | H3PA | 108.1° | 109.5° |
| H2P | C2P | H2PA | 111.9° | 109.5° |
| N3A | C4A | N9A | 136.4° | 134.9° |
| N3A | C4A | C5A | 118.9° | 119.1° |
| O3B | C3B | C4B | 110.2° | 110.5° |
| O3B | C3B | H3B | 107.5° | 110.6° |
| C3B | O3B | P3B | 122.9° | 123.0° |
| C4B | C3B | H3B | 112.7° | 110.5° |
| C3B | C4B | O4B | 107.1° | 104.8° |
| C3B | C4B | C5B | 112.2° | 110.4° |
| C3B | C4B | H4BA | 108.9° | 110.4° |
| O3B | P3B | O9A | 108.6° | 109.5° |
| O3B | P3B | O8A | 108.8° | 109.5° |
| O3B | P3B | O7A | 110.7° | 109.5° |
| O9A | P3B | O8A | 108.9° | 109.4° |
| O9A | P3B | O7A | 109.1° | 109.5° |
| O8A | P3B | O7A | 110.6° | 109.4° |
| P3B | O8A | HO8A | 109.5° | 114.1° |
| P3B | O7A | HO7A | 109.5° | 114.0° |
| N4P | C3P | H3P | 108.7° | 109.5° |
| N4P | C3P | H3PA | 108.1° | 109.5° |
| C3P | N4P | C5P | 122.5° | 120.0° |
| C3P | N4P | HN4P | 118.8° | 120.0° |
| H3P | C3P | H3PA | 111.4° | 109.5° |
| N9A | C4A | C5A | 104.7° | 106.0° |
| C4A | N9A | C8A | 108.7° | 107.4° |
| C4A | C5A | C6A | 119.0° | 118.1° |
| C4A | C5A | N7A | 109.2° | 107.2° |
| O4B | C4B | C5B | 108.2° | 110.4° |
| O4B | C4B | H4BA | 112.8° | 110.3° |
| C5B | C4B | H4BA | 107.8° | 110.4° |
| C4B | C5B | O5B | 107.6° | 109.5° |
| C4B | C5B | H5B | 110.1° | 109.5° |
| C4B | C5B | H5BA | 110.5° | 109.5° |
| C5P | N4P | HN4P | 118.8° | 120.0° |
| N4P | C5P | C6P | 115.6° | 120.0° |
| N4P | C5P | O5P | 123.3° | 120.0° |
| H52 | C52 | H52A | 109.5° | 109.5° |
| H52 | C52 | H52B | 109.5° | 109.5° |
| H52A | C52 | H52B | 109.5° | 109.5° |
| C6A | C5A | N7A | 131.8° | 134.7° |
| C5A | C6A | N6A | 122.1° | 120.8° |
| C5A | N7A | C8A | 105.8° | 109.4° |
| O5B | C5B | H5B | 110.1° | 109.4° |
| O5B | C5B | H5BA | 110.6° | 109.5° |
| H5B | C5B | H5BA | 108.0° | 109.5° |
| C6P | C5P | O5P | 121.1° | 120.0° |
| C5P | C6P | C7P | 112.1° | 109.5° |
| C5P | C6P | H6P | 108.6° | 109.5° |
| C5P | C6P | H6PA | 108.1° | 109.5° |
| C6A | N6A | HN6A | 109.5° | 120.0° |
| C6A | N6A | HN6B | 109.5° | 120.0° |
| HN6A | N6A | HN6B | 109.5° | 120.0° |
| O6A | CCP | CBP | 109.5° | 109.5° |
| O6A | CCP | HCP | 109.5° | 109.5° |
| O6A | CCP | HCPA | 109.5° | 109.5° |
| C7P | C6P | H6P | 108.6° | 109.5° |
| C7P | C6P | H6PA | 108.0° | 109.5° |
| C6P | C7P | N8P | 113.7° | 109.5° |
| C6P | C7P | H7P | 108.1° | 109.5° |
| C6P | C7P | H7PA | 107.1° | 109.5° |
| H6P | C6P | H6PA | 111.5° | 109.5° |
| N7A | C8A | N9A | 111.6° | 110.0° |
| N7A | C8A | H8A | 124.2° | 125.0° |
| N8P | C7P | H7P | 108.1° | 109.5° |
| N8P | C7P | H7PA | 107.1° | 109.4° |
| C7P | N8P | C9P | 123.7° | 120.0° |
| C7P | N8P | HN8P | 118.2° | 120.0° |
| H7P | C7P | H7PA | 112.8° | 109.5° |
| N9A | C8A | H8A | 124.2° | 125.0° |
| C9P | N8P | HN8P | 118.2° | 120.0° |
| N8P | C9P | CAP | 116.4° | 120.0° |
| N8P | C9P | O9P | 123.3° | 120.0° |
| CAP | C9P | O9P | 120.3° | 120.0° |
| C9P | CAP | OAP | 108.9° | 109.5° |
| C9P | CAP | CBP | 113.6° | 109.5° |
| C9P | CAP | HAP | 107.4° | 109.4° |
| OAP | CAP | CBP | 110.4° | 109.5° |
| OAP | CAP | HAP | 110.7° | 109.5° |
| CAP | OAP | HOAP | 109.5° | 114.0° |
| CBP | CAP | HAP | 105.8° | 109.5° |
| CAP | CBP | CCP | 108.5° | 109.5° |
| CAP | CBP | CEP | 111.1° | 109.5° |
| CAP | CBP | CDP | 111.3° | 109.5° |
| CCP | CBP | CEP | 108.6° | 109.5° |
| CCP | CBP | CDP | 107.9° | 109.5° |
| CBP | CCP | HCP | 109.5° | 109.5° |
| CBP | CCP | HCPA | 109.5° | 109.5° |
| CEP | CBP | CDP | 109.3° | 109.4° |
| CBP | CEP | HEP | 109.5° | 109.4° |
| CBP | CEP | HEPA | 109.4° | 109.4° |
| CBP | CEP | HEPB | 109.5° | 109.5° |
| CBP | CDP | HDP | 109.5° | 109.4° |
| CBP | CDP | HDPA | 109.5° | 109.5° |
| CBP | CDP | HDPB | 109.5° | 109.5° |
| HCP | CCP | HCPA | 109.5° | 109.5° |
| HDP | CDP | HDPA | 109.5° | 109.5° |
| HDP | CDP | HDPB | 109.4° | 109.4° |
| HDPA | CDP | HDPB | 109.5° | 109.5° |
| HEP | CEP | HEPA | 109.5° | 109.5° |
| HEP | CEP | HEPB | 109.4° | 109.5° |
| HEPA | CEP | HEPB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S1P | C1 | O1 | C2 | 177.7° | 179.6° |
| S1P | C1 | C2 | C3 | 1.9° | 0.3° |
| S1P | C1 | C2 | C52 | 178.5° | 179.7° |
| C1 | S1P | C2P | C3P | 99.6° | 180.0° |
| C1 | S1P | C2P | H2P | 140.4° | 60.0° |
| C1 | S1P | C2P | H2PA | 19.1° | 60.0° |
| O1 | C1 | C2 | C3 | 179.5° | 180.0° |
| O1 | C1 | C2 | C52 | 0.9° | 0.1° |
| O1 | C1 | S1P | C2P | 16.1° | 0.3° |
| C1 | C2 | C3 | C52 | 179.6° | 180.0° |
| C1 | C2 | C3 | C4 | 4.0° | 180.0° |
| C1 | C2 | C3 | O3 | 175.7° | 0.0° |
| C2 | C1 | S1P | C2P | 166.2° | 180.0° |
| C1 | C2 | C52 | H52 | 84.6° | 90.0° |
| C1 | C2 | C52 | H52A | 35.4° | 150.0° |
| C1 | C2 | C52 | H52B | 155.4° | 30.0° |
| C2 | C3 | C4 | O3 | 179.7° | 179.9° |
| C2 | C3 | C4 | H4 | 95.1° | 90.0° |
| C2 | C3 | C4 | H4A | 24.9° | 150.0° |
| C2 | C3 | C4 | H4B | 144.9° | 30.1° |
| C3 | C2 | C52 | H52 | 95.0° | 90.0° |
| C3 | C2 | C52 | H52A | 145.0° | 30.0° |
| C3 | C2 | C52 | H52B | 24.9° | 150.0° |
| C52 | C2 | C3 | C4 | 176.4° | 0.0° |
| C52 | C2 | C3 | O3 | 3.9° | 180.0° |
| C2 | C52 | H52 | H52A | 120.0° | 120.0° |
| C2 | C52 | H52 | H52B | 120.0° | 120.0° |
| C2 | C52 | H52A | H52B | 120.0° | 120.0° |
| C3 | C4 | H4 | H4A | 120.0° | 120.0° |
| C3 | C4 | H4 | H4B | 120.0° | 120.0° |
| C3 | C4 | H4A | H4B | 120.0° | 120.0° |
| O3 | C3 | C4 | H4 | 85.2° | 90.0° |
| O3 | C3 | C4 | H4A | 154.8° | 30.0° |
| O3 | C3 | C4 | H4B | 34.8° | 150.0° |
| H4 | C4 | H4A | H4B | 120.0° | 119.9° |
| N1A | C2A | N3A | H2A | 180.0° | 180.0° |
| N1A | C2A | N3A | C4A | 0.3° | 0.0° |
| C2A | N1A | C6A | C5A | 0.3° | 0.1° |
| C2A | N1A | C6A | N6A | 179.8° | 180.0° |
| C6A | N1A | C2A | N3A | 0.0° | 0.1° |
| C6A | N1A | C2A | H2A | 180.0° | 179.9° |
| N1A | C6A | C5A | C4A | 0.3° | 0.1° |
| N1A | C6A | C5A | N6A | 179.5° | 179.9° |
| N1A | C6A | C5A | N7A | 179.9° | 179.9° |
| N1A | C6A | N6A | HN6A | 126.4° | 0.0° |
| N1A | C6A | N6A | HN6B | 113.6° | 179.9° |
| O1A | P1A | O2A | O5B | 121.0° | 120.0° |
| O1A | P1A | O2A | O3A | 124.3° | 120.1° |
| O1A | P1A | O5B | O3A | 114.8° | 120.0° |
| O1A | P1A | O3A | P2A | 120.3° | 75.0° |
| O1A | P1A | O5B | C5B | 63.7° | 65.0° |
| HO1A | O1A | P1A | O2A | 92.6° | 180.0° |
| HO1A | O1A | P1A | O5B | 147.0° | 60.0° |
| HO1A | O1A | P1A | O3A | 35.1° | 60.0° |
| O2A | P1A | O5B | O3A | 121.6° | 120.0° |
| O2A | P1A | O3A | P2A | 6.7° | 45.1° |
| O2A | P1A | O5B | C5B | 172.8° | 55.0° |
| O5B | P1A | O3A | P2A | 124.0° | 165.0° |
| P1A | O5B | C5B | C4B | 156.7° | 180.0° |
| P1A | O5B | C5B | H5B | 83.3° | 60.0° |
| P1A | O5B | C5B | H5BA | 35.9° | 60.0° |
| P1A | O3A | P2A | O4A | 39.2° | 44.9° |
| P1A | O3A | P2A | O5A | 165.0° | 75.0° |
| P1A | O3A | P2A | O6A | 78.7° | 164.9° |
| O3A | P1A | O5B | C5B | 51.1° | 175.0° |
| C2B | C1B | O4B | N9A | 122.1° | 118.8° |
| C2B | C1B | O4B | H1B | 120.7° | 119.0° |
| C2B | C1B | N9A | H1B | 120.6° | 122.4° |
| C1B | C2B | O2B | C3B | 113.5° | 114.7° |
| C1B | C2B | O2B | H2B | 123.3° | 122.5° |
| C1B | C2B | C3B | H2B | 122.9° | 118.6° |
| C1B | C2B | O2B | HO2B | 93.6° | 61.4° |
| C1B | C2B | C3B | O3B | 84.2° | 118.7° |
| C1B | C2B | C3B | C4B | 33.0° | 0.0° |
| C1B | C2B | C3B | H3B | 155.7° | 118.6° |
| C2B | C1B | N9A | C4A | 108.7° | 88.2° |
| C2B | C1B | O4B | C4B | 25.7° | 40.5° |
| C2B | C1B | N9A | C8A | 71.4° | 91.8° |
| O4B | C1B | N9A | H1B | 121.4° | 122.2° |
| O4B | C1B | C2B | O2B | 156.4° | 142.8° |
| O4B | C1B | C2B | C3B | 36.5° | 24.0° |
| O4B | C1B | C2B | H2B | 86.3° | 94.7° |
| C1B | O4B | C4B | C3B | 4.0° | 40.5° |
| O4B | C1B | N9A | C4A | 133.2° | 156.5° |
| C1B | O4B | C4B | C5B | 125.1° | 159.4° |
| C1B | O4B | C4B | H4BA | 115.7° | 78.3° |
| O4B | C1B | N9A | C8A | 46.6° | 23.6° |
| N9A | C1B | C2B | O2B | 82.1° | 98.4° |
| N9A | C1B | C2B | C3B | 158.0° | 142.8° |
| N9A | C1B | C2B | H2B | 35.2° | 24.1° |
| C1B | N9A | C4A | N3A | 0.3° | 0.0° |
| C1B | N9A | C4A | C8A | 179.9° | 179.9° |
| C1B | N9A | C4A | C5A | 179.8° | 179.9° |
| N9A | C1B | O4B | C4B | 147.8° | 159.3° |
| C1B | N9A | C8A | N7A | 179.8° | 180.0° |
| C1B | N9A | C8A | H8A | 0.2° | 0.1° |
| H1B | C1B | C2B | O2B | 35.0° | 23.9° |
| H1B | C1B | C2B | C3B | 84.9° | 94.9° |
| H1B | C1B | C2B | H2B | 152.3° | 146.4° |
| H1B | C1B | N9A | C4A | 11.9° | 34.2° |
| H1B | C1B | O4B | C4B | 95.0° | 78.5° |
| H1B | C1B | N9A | C8A | 168.0° | 145.9° |
| S1P | C2P | C3P | H2P | 120.0° | 120.0° |
| S1P | C2P | C3P | H2PA | 118.7° | 120.0° |
| S1P | C2P | H2P | H2PA | 118.8° | 120.1° |
| S1P | C2P | C3P | N4P | 172.9° | 180.0° |
| S1P | C2P | C3P | H3P | 67.1° | 60.0° |
| S1P | C2P | C3P | H3PA | 54.0° | 60.0° |
| C2A | N3A | C4A | N9A | 179.9° | 180.0° |
| C2A | N3A | C4A | C5A | 0.2° | 0.0° |
| H2A | C2A | N3A | C4A | 179.7° | 180.0° |
| O4A | P2A | O3A | O5A | 125.8° | 119.9° |
| O4A | P2A | O3A | O6A | 117.9° | 120.0° |
| O4A | P2A | O5A | O6A | 122.2° | 120.1° |
| O4A | P2A | O5A | HO5A | 26.3° | 180.0° |
| O4A | P2A | O6A | CCP | 170.8° | 55.0° |
| O3A | P2A | O5A | O6A | 111.9° | 120.0° |
| O3A | P2A | O5A | HO5A | 99.7° | 60.1° |
| O3A | P2A | O6A | CCP | 68.3° | 175.0° |
| O5A | P2A | O6A | CCP | 46.2° | 65.0° |
| O6A | P2A | O5A | HO5A | 148.5° | 59.9° |
| P2A | O6A | CCP | CBP | 155.8° | 180.0° |
| P2A | O6A | CCP | HCP | 35.8° | 60.0° |
| P2A | O6A | CCP | HCPA | 84.2° | 60.0° |
| O2B | C2B | C3B | H2B | 117.3° | 122.7° |
| O2B | C2B | C3B | O3B | 35.6° | 0.1° |
| O2B | C2B | C3B | C4B | 152.8° | 118.7° |
| O2B | C2B | C3B | H3B | 84.5° | 122.7° |
| C3B | C2B | O2B | HO2B | 152.9° | 176.1° |
| C2B | C3B | O3B | C4B | 112.7° | 114.6° |
| C2B | C3B | O3B | H3B | 124.0° | 122.7° |
| C2B | C3B | C4B | H3B | 123.5° | 118.6° |
| C2B | C3B | O3B | P3B | 133.8° | 121.5° |
| C2B | C3B | C4B | O4B | 19.0° | 24.0° |
| C2B | C3B | C4B | C5B | 99.5° | 142.8° |
| C2B | C3B | C4B | H4BA | 141.3° | 94.8° |
| H2B | C2B | O2B | HO2B | 29.7° | 61.1° |
| H2B | C2B | C3B | O3B | 152.9° | 122.7° |
| H2B | C2B | C3B | C4B | 89.9° | 118.6° |
| H2B | C2B | C3B | H3B | 32.8° | 0.0° |
| C3P | C2P | H2P | H2PA | 118.8° | 119.9° |
| C2P | C3P | N4P | H3P | 120.0° | 120.0° |
| C2P | C3P | N4P | H3PA | 119.0° | 120.0° |
| C2P | C3P | H3P | H3PA | 119.0° | 120.0° |
| C2P | C3P | N4P | C5P | 72.9° | 180.0° |
| C2P | C3P | N4P | HN4P | 107.2° | 0.0° |
| H2P | C2P | C3P | N4P | 52.9° | 60.0° |
| H2P | C2P | C3P | H3P | 172.9° | 180.0° |
| H2P | C2P | C3P | H3PA | 66.0° | 60.0° |
| H2PA | C2P | C3P | N4P | 68.4° | 60.0° |
| H2PA | C2P | C3P | H3P | 51.6° | 60.0° |
| H2PA | C2P | C3P | H3PA | 172.7° | 180.0° |
| N3A | C4A | N9A | C5A | 179.9° | 179.9° |
| N3A | C4A | C5A | C6A | 0.1° | 0.1° |
| N3A | C4A | C5A | N7A | 179.9° | 180.0° |
| N3A | C4A | N9A | C8A | 179.9° | 179.9° |
| O3B | C3B | C4B | H3B | 120.2° | 122.7° |
| C3B | O3B | P3B | O9A | 167.3° | 55.0° |
| C3B | O3B | P3B | O8A | 74.3° | 175.0° |
| C3B | O3B | P3B | O7A | 47.5° | 65.0° |
| O3B | C3B | C4B | O4B | 97.2° | 142.6° |
| O3B | C3B | C4B | C5B | 144.2° | 98.6° |
| O3B | C3B | C4B | H4BA | 25.0° | 23.8° |
| C4B | C3B | O3B | P3B | 113.4° | 123.9° |
| C3B | C4B | O4B | C5B | 121.1° | 118.8° |
| C3B | C4B | O4B | H4BA | 119.8° | 118.9° |
| C3B | C4B | C5B | H4BA | 119.8° | 122.3° |
| C3B | C4B | C5B | O5B | 67.2° | 175.0° |
| C3B | C4B | C5B | H5B | 52.8° | 55.0° |
| C3B | C4B | C5B | H5BA | 172.0° | 65.0° |
| H3B | C3B | O3B | P3B | 9.8° | 1.2° |
| H3B | C3B | C4B | O4B | 142.6° | 94.6° |
| H3B | C3B | C4B | C5B | 24.0° | 24.2° |
| H3B | C3B | C4B | H4BA | 95.2° | 146.5° |
| O3B | P3B | O9A | O8A | 118.3° | 120.0° |
| O3B | P3B | O9A | O7A | 120.8° | 120.1° |
| O3B | P3B | O8A | O7A | 121.9° | 120.0° |
| O3B | P3B | O7A | HO7A | 30.9° | 59.9° |
| O3B | P3B | O8A | HO8A | 142.5° | 180.0° |
| O9A | P3B | O8A | O7A | 119.9° | 120.0° |
| O9A | P3B | O7A | HO7A | 150.4° | 180.0° |
| O9A | P3B | O8A | HO8A | 24.3° | 60.0° |
| O8A | P3B | O7A | HO7A | 89.8° | 60.1° |
| O7A | P3B | O8A | HO8A | 95.6° | 60.0° |
| N4P | C3P | H3P | H3PA | 119.0° | 120.0° |
| C3P | N4P | C5P | HN4P | 180.0° | 180.0° |
| C3P | N4P | C5P | C6P | 179.6° | 180.0° |
| C3P | N4P | C5P | O5P | 0.4° | 0.1° |
| H3P | C3P | N4P | C5P | 167.1° | 60.0° |
| H3P | C3P | N4P | HN4P | 12.8° | 120.0° |
| H3PA | C3P | N4P | C5P | 46.1° | 60.0° |
| H3PA | C3P | N4P | HN4P | 133.9° | 120.0° |
| N9A | C4A | C5A | C6A | 179.9° | 180.0° |
| N9A | C4A | C5A | N7A | 0.1° | 0.0° |
| C4A | N9A | C8A | N7A | 0.1° | 0.0° |
| C4A | N9A | C8A | H8A | 180.0° | 180.0° |
| C4A | C5A | C6A | N7A | 179.7° | 179.9° |
| C4A | C5A | C6A | N6A | 179.8° | 180.0° |
| C4A | C5A | N7A | C8A | 0.0° | 0.0° |
| C5A | C4A | N9A | C8A | 0.1° | 0.0° |
| O4B | C4B | C5B | H4BA | 122.2° | 122.3° |
| O4B | C4B | C5B | O5B | 174.8° | 69.6° |
| O4B | C4B | C5B | H5B | 65.2° | 170.4° |
| O4B | C4B | C5B | H5BA | 54.1° | 50.4° |
| C4B | C5B | O5B | H5B | 120.0° | 120.0° |
| C4B | C5B | O5B | H5BA | 120.8° | 120.0° |
| C4B | C5B | H5B | H5BA | 120.8° | 120.0° |
| H4BA | C4B | C5B | O5B | 52.6° | 52.6° |
| H4BA | C4B | C5B | H5B | 172.6° | 67.3° |
| H4BA | C4B | C5B | H5BA | 68.2° | 172.6° |
| N4P | C5P | C6P | O5P | 179.3° | 179.9° |
| N4P | C5P | C6P | C7P | 139.2° | 180.0° |
| N4P | C5P | C6P | H6P | 100.8° | 60.0° |
| N4P | C5P | C6P | H6PA | 20.3° | 60.0° |
| HN4P | N4P | C5P | C6P | 0.4° | 0.0° |
| HN4P | N4P | C5P | O5P | 179.7° | 180.0° |
| H52 | C52 | H52A | H52B | 120.0° | 120.0° |
| C5A | C6A | N6A | HN6A | 53.1° | 179.9° |
| C5A | C6A | N6A | HN6B | 66.9° | 0.1° |
| C6A | C5A | N7A | C8A | 179.8° | 180.0° |
| N7A | C5A | C6A | N6A | 0.4° | 0.1° |
| C5A | N7A | C8A | N9A | 0.0° | 0.0° |
| C5A | N7A | C8A | H8A | 180.0° | 180.0° |
| O5B | C5B | H5B | H5BA | 120.8° | 120.0° |
| C5P | C6P | C7P | H6P | 120.0° | 120.0° |
| C5P | C6P | C7P | H6PA | 118.9° | 120.0° |
| C5P | C6P | H6P | H6PA | 119.0° | 120.0° |
| C5P | C6P | C7P | N8P | 45.2° | 180.0° |
| C5P | C6P | C7P | H7P | 74.8° | 60.0° |
| C5P | C6P | C7P | H7PA | 163.4° | 60.1° |
| O5P | C5P | C6P | C7P | 41.6° | 0.0° |
| O5P | C5P | C6P | H6P | 78.4° | 120.0° |
| O5P | C5P | C6P | H6PA | 160.5° | 120.0° |
| C6A | N6A | HN6A | HN6B | 120.0° | 180.0° |
| O6A | CCP | CBP | CAP | 65.7° | 180.0° |
| O6A | CCP | CBP | HCP | 120.0° | 120.0° |
| O6A | CCP | CBP | HCPA | 120.0° | 120.0° |
| O6A | CCP | CBP | CEP | 55.2° | 60.0° |
| O6A | CCP | CBP | CDP | 173.6° | 60.0° |
| O6A | CCP | HCP | HCPA | 120.0° | 120.0° |
| C7P | C6P | H6P | H6PA | 118.9° | 120.0° |
| C6P | C7P | N8P | H7P | 120.0° | 120.0° |
| C6P | C7P | N8P | H7PA | 118.2° | 120.0° |
| C6P | C7P | H7P | H7PA | 118.3° | 120.0° |
| C6P | C7P | N8P | C9P | 74.0° | 180.0° |
| C6P | C7P | N8P | HN8P | 106.0° | 0.1° |
| H6P | C6P | C7P | N8P | 165.3° | 60.0° |
| H6P | C6P | C7P | H7P | 45.3° | 180.0° |
| H6P | C6P | C7P | H7PA | 76.6° | 60.0° |
| H6PA | C6P | C7P | N8P | 73.7° | 60.0° |
| H6PA | C6P | C7P | H7P | 166.3° | 60.0° |
| H6PA | C6P | C7P | H7PA | 44.5° | 180.0° |
| N7A | C8A | N9A | H8A | 180.0° | 180.0° |
| N8P | C7P | H7P | H7PA | 118.3° | 120.0° |
| C7P | N8P | C9P | HN8P | 180.0° | 179.9° |
| C7P | N8P | C9P | CAP | 179.9° | 174.9° |
| C7P | N8P | C9P | O9P | 0.8° | 5.0° |
| H7P | C7P | N8P | C9P | 166.0° | 60.0° |
| H7P | C7P | N8P | HN8P | 14.0° | 119.9° |
| H7PA | C7P | N8P | C9P | 44.1° | 60.1° |
| H7PA | C7P | N8P | HN8P | 135.9° | 120.0° |
| N8P | C9P | CAP | O9P | 179.2° | 179.9° |
| N8P | C9P | CAP | OAP | 17.6° | 11.8° |
| N8P | C9P | CAP | CBP | 105.8° | 108.2° |
| N8P | C9P | CAP | HAP | 137.6° | 131.8° |
| HN8P | N8P | C9P | CAP | 0.0° | 5.2° |
| HN8P | N8P | C9P | O9P | 179.2° | 174.9° |
| C9P | CAP | OAP | CBP | 125.3° | 120.0° |
| C9P | CAP | OAP | HAP | 117.8° | 120.0° |
| C9P | CAP | CBP | HAP | 117.5° | 120.0° |
| C9P | CAP | OAP | HOAP | 65.4° | 60.0° |
| C9P | CAP | CBP | CCP | 177.5° | 174.0° |
| C9P | CAP | CBP | CEP | 63.2° | 54.0° |
| C9P | CAP | CBP | CDP | 58.9° | 65.9° |
| O9P | C9P | CAP | OAP | 161.6° | 168.3° |
| O9P | C9P | CAP | CBP | 75.0° | 71.7° |
| O9P | C9P | CAP | HAP | 41.6° | 48.3° |
| OAP | CAP | CBP | HAP | 119.9° | 120.0° |
| OAP | CAP | CBP | CCP | 54.8° | 54.0° |
| OAP | CAP | CBP | CEP | 174.2° | 66.0° |
| OAP | CAP | CBP | CDP | 63.8° | 174.1° |
| CBP | CAP | OAP | HOAP | 59.9° | 60.0° |
| CAP | CBP | CCP | CEP | 120.9° | 120.0° |
| CAP | CBP | CCP | CDP | 120.7° | 120.0° |
| CAP | CBP | CEP | CDP | 123.2° | 120.0° |
| CAP | CBP | CCP | HCP | 54.3° | 60.0° |
| CAP | CBP | CCP | HCPA | 174.3° | 60.0° |
| CAP | CBP | CDP | HDP | 116.0° | 64.4° |
| CAP | CBP | CDP | HDPA | 124.0° | 175.7° |
| CAP | CBP | CDP | HDPB | 3.9° | 55.6° |
| CAP | CBP | CEP | HEP | 55.0° | 60.0° |
| CAP | CBP | CEP | HEPA | 65.1° | 180.0° |
| CAP | CBP | CEP | HEPB | 174.9° | 60.0° |
| HAP | CAP | OAP | HOAP | 176.7° | 180.0° |
| HAP | CAP | CBP | CCP | 65.0° | 66.0° |
| HAP | CAP | CBP | CEP | 54.4° | 174.0° |
| HAP | CAP | CBP | CDP | 176.4° | 54.0° |
| CCP | CBP | CEP | CDP | 117.5° | 119.9° |
| CBP | CCP | HCP | HCPA | 120.0° | 120.0° |
| CCP | CBP | CDP | HDP | 2.9° | 175.6° |
| CCP | CBP | CDP | HDPA | 117.1° | 55.6° |
| CCP | CBP | CDP | HDPB | 122.9° | 64.5° |
| CCP | CBP | CEP | HEP | 64.3° | 60.0° |
| CCP | CBP | CEP | HEPA | 175.6° | 59.9° |
| CCP | CBP | CEP | HEPB | 55.6° | 180.0° |
| CEP | CBP | CCP | HCP | 175.2° | 180.0° |
| CEP | CBP | CCP | HCPA | 64.8° | 60.0° |
| CEP | CBP | CDP | HDP | 120.9° | 55.6° |
| CEP | CBP | CDP | HDPA | 0.9° | 64.3° |
| CEP | CBP | CDP | HDPB | 119.1° | 175.6° |
| CBP | CEP | HEP | HEPA | 120.0° | 119.9° |
| CBP | CEP | HEP | HEPB | 120.0° | 120.0° |
| CBP | CEP | HEPA | HEPB | 120.0° | 120.0° |
| CDP | CBP | CCP | HCP | 66.4° | 60.0° |
| CDP | CBP | CCP | HCPA | 53.6° | 180.0° |
| CBP | CDP | HDP | HDPA | 120.0° | 120.0° |
| CBP | CDP | HDP | HDPB | 120.0° | 120.0° |
| CBP | CDP | HDPA | HDPB | 120.0° | 120.1° |
| CDP | CBP | CEP | HEP | 178.1° | 180.0° |
| CDP | CBP | CEP | HEPA | 58.1° | 60.0° |
| CDP | CBP | CEP | HEPB | 61.9° | 60.0° |
| HDP | CDP | HDPA | HDPB | 120.0° | 120.0° |
| HEP | CEP | HEPA | HEPB | 120.0° | 120.1° |
