3H9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | S1P | sing | 1.71Å | 1.73Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| N1A | C2A | doub | 1.32Å | 1.32Å | Aromatic |
| N1A | C6A | sing | 1.33Å | 1.36Å | Aromatic |
| O1A | P1A | doub | 1.55Å | 1.48Å | |
| P1A | O2A | sing | 1.54Å | 1.48Å | |
| P1A | O3A | sing | 1.61Å | 1.64Å | |
| P1A | O5B | sing | 1.61Å | 1.56Å | |
| C1B | C2B | sing | 1.55Å | 1.50Å | |
| C1B | O4B | sing | 1.44Å | 1.46Å | |
| C1B | N9A | sing | 1.47Å | 1.46Å | |
| S1P | C2P | sing | 1.81Å | 1.82Å | |
| C2A | N3A | sing | 1.32Å | 1.33Å | Aromatic |
| P2A | O3A | sing | 1.61Å | 1.65Å | |
| P2A | O4A | doub | 1.55Å | 1.49Å | |
| P2A | O5A | sing | 1.54Å | 1.49Å | |
| P2A | O6A | sing | 1.61Å | 1.61Å | |
| C2B | O2B | sing | 1.43Å | 1.40Å | |
| C2B | C3B | sing | 1.55Å | 1.53Å | |
| C2P | C3P | sing | 1.53Å | 1.50Å | |
| N3A | C4A | doub | 1.33Å | 1.34Å | Aromatic |
| C3B | O3B | sing | 1.43Å | 1.43Å | |
| C3B | C4B | sing | 1.54Å | 1.51Å | |
| O3B | P3B | sing | 1.61Å | 1.60Å | |
| P3B | O7A | sing | 1.57Å | 1.58Å | |
| P3B | O8A | doub | 1.57Å | 1.43Å | |
| P3B | O9A | sing | 1.57Å | 1.56Å | |
| C3P | N4P | sing | 1.47Å | 1.44Å | |
| C4A | C5A | sing | 1.40Å | 1.40Å | Aromatic |
| C4A | N9A | sing | 1.37Å | 1.32Å | Aromatic |
| C4B | O4B | sing | 1.44Å | 1.45Å | |
| C4B | C5B | sing | 1.53Å | 1.55Å | |
| N4P | C5P | sing | 1.35Å | 1.31Å | |
| C5A | C6A | doub | 1.41Å | 1.40Å | Aromatic |
| C5A | N7A | sing | 1.35Å | 1.34Å | Aromatic |
| C5B | O5B | sing | 1.43Å | 1.40Å | |
| C5P | O5P | doub | 1.21Å | 1.23Å | |
| C5P | C6P | sing | 1.51Å | 1.53Å | |
| C6A | N6A | sing | 1.38Å | 1.33Å | |
| O6A | CCP | sing | 1.43Å | 1.38Å | |
| C6P | C7P | sing | 1.53Å | 1.53Å | |
| N7A | C8A | doub | 1.30Å | 1.34Å | Aromatic |
| C7P | N8P | sing | 1.46Å | 1.47Å | |
| C8A | N9A | sing | 1.36Å | 1.34Å | Aromatic |
| N8P | C9P | sing | 1.35Å | 1.33Å | |
| C9P | O9P | doub | 1.21Å | 1.23Å | |
| C9P | CAP | sing | 1.51Å | 1.51Å | |
| CAP | OAP | sing | 1.43Å | 1.43Å | |
| CAP | CBP | sing | 1.53Å | 1.57Å | |
| CBP | CCP | sing | 1.53Å | 1.55Å | |
| CBP | CDP | sing | 1.53Å | 1.53Å | |
| CBP | CEP | sing | 1.53Å | 1.54Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C6 | H6B | sing | 1.09Å | 1.10Å | |
| C1B | H1B | sing | 1.09Å | 1.10Å | |
| C2A | H2AA | sing | 1.08Å | 1.08Å | |
| C2B | H2B | sing | 1.09Å | 1.10Å | |
| O2B | HO2B | sing | 0.97Å | 0.95Å | |
| C2P | H2P | sing | 1.09Å | 1.10Å | |
| C2P | H2PA | sing | 1.09Å | 1.10Å | |
| C3B | H3B | sing | 1.09Å | 1.10Å | |
| C3P | H3P | sing | 1.09Å | 1.10Å | |
| C3P | H3PA | sing | 1.09Å | 1.10Å | |
| C4B | H4B | sing | 1.09Å | 1.10Å | |
| N4P | HN4P | sing | 0.97Å | 1.00Å | |
| C5B | H5B | sing | 1.09Å | 1.10Å | |
| C5B | H5BA | sing | 1.09Å | 1.10Å | |
| N6A | HN6A | sing | 0.97Å | 1.00Å | |
| N6A | HN6B | sing | 0.97Å | 1.00Å | |
| C6P | H6P | sing | 1.09Å | 1.10Å | |
| C6P | H6PA | sing | 1.09Å | 1.10Å | |
| C7P | H7P | sing | 1.09Å | 1.10Å | |
| C7P | H7PA | sing | 1.09Å | 1.10Å | |
| C8A | H8A | sing | 1.08Å | 1.08Å | |
| N8P | HN8P | sing | 0.97Å | 1.00Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| OAP | HOAP | sing | 0.97Å | 0.95Å | |
| 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) |
| O1 | C1 | C2 | 123.0° | 120.0° |
| O1 | C1 | S1P | 118.8° | 120.0° |
| C2 | C1 | S1P | 118.3° | 120.0° |
| C1 | C2 | C3 | 115.3° | 109.4° |
| C1 | C2 | H2 | 107.6° | 109.4° |
| C1 | C2 | H2A | 107.6° | 109.4° |
| C1 | S1P | C2P | 98.8° | 100.0° |
| C2 | C3 | O3 | 108.6° | 109.5° |
| C2 | C3 | C4 | 109.0° | 109.5° |
| C3 | C2 | H2 | 107.6° | 109.5° |
| C3 | C2 | H2A | 107.6° | 109.5° |
| C2 | C3 | H3 | 109.1° | 109.5° |
| O3 | C3 | C4 | 105.4° | 109.5° |
| O3 | C3 | H3 | 112.5° | 109.4° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C4 | C5 | 112.1° | 109.5° |
| C4 | C3 | H3 | 112.1° | 109.4° |
| C3 | C4 | H4 | 108.6° | 109.4° |
| C3 | C4 | H4A | 108.6° | 109.5° |
| C4 | C5 | C6 | 110.9° | 109.5° |
| C5 | C4 | H4 | 108.6° | 109.5° |
| C5 | C4 | H4A | 108.6° | 109.5° |
| C4 | C5 | H5 | 109.0° | 109.4° |
| C4 | C5 | H5A | 109.0° | 109.5° |
| C6 | C5 | H5 | 109.0° | 109.4° |
| C6 | C5 | H5A | 109.0° | 109.4° |
| C5 | C6 | H6 | 109.5° | 109.5° |
| C5 | C6 | H6A | 109.5° | 109.4° |
| C5 | C6 | H6B | 109.5° | 109.5° |
| C2A | N1A | C6A | 120.9° | 121.2° |
| N1A | C2A | N3A | 121.4° | 122.5° |
| N1A | C2A | H2AA | 119.3° | 118.8° |
| N1A | C6A | C5A | 119.4° | 118.4° |
| N1A | C6A | N6A | 118.9° | 120.8° |
| O1A | P1A | O2A | 115.5° | 109.5° |
| O1A | P1A | O3A | 104.9° | 109.4° |
| O1A | P1A | O5B | 110.9° | 109.5° |
| O2A | P1A | O3A | 119.6° | 109.5° |
| O2A | P1A | O5B | 107.3° | 109.5° |
| O3A | P1A | O5B | 97.2° | 109.5° |
| P1A | O3A | P2A | 124.2° | 134.0° |
| P1A | O5B | C5B | 122.5° | 123.0° |
| C2B | C1B | O4B | 105.3° | 103.5° |
| C2B | C1B | N9A | 117.6° | 110.6° |
| C1B | C2B | O2B | 102.5° | 110.9° |
| C1B | C2B | C3B | 102.1° | 102.1° |
| C2B | C1B | H1B | 105.6° | 110.6° |
| C1B | C2B | H2B | 118.1° | 110.9° |
| O4B | C1B | N9A | 104.9° | 110.6° |
| C1B | O4B | C4B | 109.2° | 107.0° |
| O4B | C1B | H1B | 118.2° | 110.7° |
| C1B | N9A | C4A | 123.6° | 126.3° |
| C1B | N9A | C8A | 128.2° | 126.3° |
| N9A | C1B | H1B | 106.0° | 110.6° |
| S1P | C2P | C3P | 107.9° | 109.4° |
| S1P | C2P | H2P | 110.0° | 109.5° |
| S1P | C2P | H2PA | 110.0° | 109.5° |
| C2A | N3A | C4A | 121.0° | 120.6° |
| N3A | C2A | H2AA | 119.3° | 118.8° |
| O3A | P2A | O4A | 108.7° | 109.5° |
| O3A | P2A | O5A | 111.1° | 109.5° |
| O3A | P2A | O6A | 98.8° | 109.5° |
| O4A | P2A | O5A | 123.0° | 109.5° |
| O4A | P2A | O6A | 100.8° | 109.5° |
| O5A | P2A | O6A | 111.5° | 109.5° |
| P2A | O6A | CCP | 122.2° | 123.0° |
| O2B | C2B | C3B | 109.7° | 110.9° |
| O2B | C2B | H2B | 111.6° | 110.8° |
| C2B | O2B | HO2B | 109.5° | 114.0° |
| C2B | C3B | O3B | 107.6° | 110.5° |
| C2B | C3B | C4B | 103.9° | 104.2° |
| C3B | C2B | H2B | 112.0° | 110.9° |
| C2B | C3B | H3B | 112.8° | 110.5° |
| C2P | C3P | N4P | 105.6° | 109.4° |
| C3P | C2P | H2P | 110.0° | 109.5° |
| C3P | C2P | H2PA | 110.0° | 109.5° |
| C2P | C3P | H3P | 110.8° | 109.5° |
| C2P | C3P | H3PA | 110.8° | 109.5° |
| N3A | C4A | C5A | 120.1° | 119.1° |
| N3A | C4A | N9A | 132.1° | 134.9° |
| O3B | C3B | C4B | 105.2° | 110.5° |
| C3B | O3B | P3B | 123.1° | 122.9° |
| O3B | C3B | H3B | 111.6° | 110.5° |
| C3B | C4B | O4B | 106.2° | 107.3° |
| C3B | C4B | C5B | 114.6° | 109.9° |
| C4B | C3B | H3B | 114.9° | 110.6° |
| C3B | C4B | H4B | 108.4° | 109.9° |
| O3B | P3B | O7A | 106.4° | 109.5° |
| O3B | P3B | O8A | 109.6° | 109.5° |
| O3B | P3B | O9A | 99.5° | 109.5° |
| O7A | P3B | O8A | 111.8° | 109.5° |
| O7A | P3B | O9A | 106.3° | 109.5° |
| O8A | P3B | O9A | 121.8° | 109.5° |
| C3P | N4P | C5P | 122.6° | 120.0° |
| N4P | C3P | H3P | 110.8° | 109.5° |
| N4P | C3P | H3PA | 110.8° | 109.4° |
| C3P | N4P | HN4P | 118.7° | 120.0° |
| C5A | C4A | N9A | 107.8° | 106.0° |
| C4A | C5A | C6A | 117.3° | 118.2° |
| C4A | C5A | N7A | 107.1° | 107.2° |
| C4A | N9A | C8A | 108.1° | 107.4° |
| O4B | C4B | C5B | 109.7° | 109.9° |
| O4B | C4B | H4B | 113.4° | 109.9° |
| C4B | C5B | O5B | 109.9° | 109.5° |
| C5B | C4B | H4B | 104.7° | 110.0° |
| C4B | C5B | H5B | 109.3° | 109.5° |
| C4B | C5B | H5BA | 109.4° | 109.5° |
| N4P | C5P | O5P | 123.4° | 120.0° |
| N4P | C5P | C6P | 113.5° | 120.0° |
| C5P | N4P | HN4P | 118.7° | 120.0° |
| C6A | C5A | N7A | 135.6° | 134.6° |
| C5A | C6A | N6A | 121.6° | 120.8° |
| C5A | N7A | C8A | 107.3° | 109.4° |
| O5B | C5B | H5B | 109.3° | 109.5° |
| O5B | C5B | H5BA | 109.3° | 109.4° |
| O5P | C5P | C6P | 123.0° | 120.0° |
| C5P | C6P | C7P | 112.0° | 109.4° |
| C5P | C6P | H6P | 108.7° | 109.5° |
| C5P | C6P | H6PA | 108.7° | 109.5° |
| C6A | N6A | HN6A | 109.5° | 120.0° |
| C6A | N6A | HN6B | 109.5° | 120.0° |
| O6A | CCP | CBP | 109.9° | 109.5° |
| O6A | CCP | HCP | 109.3° | 109.5° |
| O6A | CCP | HCPA | 109.3° | 109.5° |
| C6P | C7P | N8P | 112.3° | 109.5° |
| C7P | C6P | H6P | 108.6° | 109.5° |
| C7P | C6P | H6PA | 108.6° | 109.5° |
| C6P | C7P | H7P | 108.6° | 109.5° |
| C6P | C7P | H7PA | 108.6° | 109.5° |
| N7A | C8A | N9A | 109.7° | 110.0° |
| N7A | C8A | H8A | 125.1° | 125.1° |
| C7P | N8P | C9P | 122.2° | 120.0° |
| N8P | C7P | H7P | 108.5° | 109.4° |
| N8P | C7P | H7PA | 108.5° | 109.5° |
| C7P | N8P | HN8P | 118.9° | 120.0° |
| N9A | C8A | H8A | 125.1° | 125.0° |
| N8P | C9P | O9P | 125.1° | 120.0° |
| N8P | C9P | CAP | 114.2° | 120.0° |
| C9P | N8P | HN8P | 118.9° | 120.0° |
| O9P | C9P | CAP | 120.4° | 120.0° |
| C9P | CAP | OAP | 108.8° | 109.5° |
| C9P | CAP | CBP | 114.5° | 109.5° |
| C9P | CAP | HAP | 107.1° | 109.4° |
| OAP | CAP | CBP | 111.4° | 109.5° |
| OAP | CAP | HAP | 110.5° | 109.5° |
| CAP | OAP | HOAP | 109.5° | 114.0° |
| CAP | CBP | CCP | 106.2° | 109.4° |
| CAP | CBP | CDP | 112.6° | 109.5° |
| CAP | CBP | CEP | 112.1° | 109.4° |
| CBP | CAP | HAP | 104.2° | 109.5° |
| CCP | CBP | CDP | 106.5° | 109.5° |
| CCP | CBP | CEP | 110.2° | 109.5° |
| CBP | CCP | HCP | 109.3° | 109.5° |
| CBP | CCP | HCPA | 109.3° | 109.5° |
| CDP | CBP | CEP | 109.1° | 109.5° |
| CBP | CDP | HDP | 109.5° | 109.5° |
| CBP | CDP | HDPA | 109.5° | 109.5° |
| CBP | CDP | HDPB | 109.5° | 109.4° |
| CBP | CEP | HEP | 109.5° | 109.5° |
| CBP | CEP | HEPA | 109.5° | 109.4° |
| CBP | CEP | HEPB | 109.5° | 109.4° |
| H2 | C2 | H2A | 111.3° | 109.5° |
| H4 | C4 | H4A | 110.3° | 109.5° |
| H5 | C5 | H5A | 109.9° | 109.5° |
| H6 | C6 | H6A | 109.5° | 109.5° |
| H6 | C6 | H6B | 109.5° | 109.5° |
| H6A | C6 | H6B | 109.5° | 109.5° |
| H2P | C2P | H2PA | 108.9° | 109.5° |
| H3P | C3P | H3PA | 108.1° | 109.5° |
| H5B | C5B | H5BA | 109.6° | 109.4° |
| HN6A | N6A | HN6B | 109.5° | 120.0° |
| H6P | C6P | H6PA | 110.3° | 109.5° |
| H7P | C7P | H7PA | 110.4° | 109.5° |
| HCP | CCP | HCPA | 109.6° | 109.5° |
| HDP | CDP | HDPA | 109.4° | 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) |
| O1 | C1 | C2 | S1P | 179.1° | 179.8° |
| O1 | C1 | C2 | C3 | 17.6° | 0.1° |
| O1 | C1 | S1P | C2P | 6.9° | 0.0° |
| O1 | C1 | C2 | H2 | 137.6° | 120.0° |
| O1 | C1 | C2 | H2A | 102.3° | 120.0° |
| C1 | C2 | C3 | H2 | 120.0° | 119.9° |
| C1 | C2 | C3 | H2A | 120.0° | 120.0° |
| C1 | C2 | C3 | O3 | 88.0° | 65.0° |
| C1 | C2 | C3 | C4 | 157.7° | 175.0° |
| C2 | C1 | S1P | C2P | 174.0° | 179.7° |
| C1 | C2 | H2 | H2A | 117.6° | 120.0° |
| C1 | C2 | C3 | H3 | 35.0° | 55.0° |
| S1P | C1 | C2 | C3 | 161.5° | 179.7° |
| C1 | S1P | C2P | C3P | 111.3° | 180.0° |
| S1P | C1 | C2 | H2 | 41.5° | 59.8° |
| S1P | C1 | C2 | H2A | 78.6° | 60.3° |
| C1 | S1P | C2P | H2P | 8.7° | 60.0° |
| C1 | S1P | C2P | H2PA | 128.8° | 60.0° |
| C2 | C3 | O3 | C4 | 116.7° | 120.0° |
| C2 | C3 | O3 | H3 | 120.9° | 120.0° |
| C2 | C3 | C4 | H3 | 120.9° | 120.0° |
| C2 | C3 | C4 | C5 | 89.6° | 175.0° |
| C3 | C2 | H2 | H2A | 117.6° | 120.1° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C2 | C3 | C4 | H4 | 150.4° | 65.0° |
| C2 | C3 | C4 | H4A | 30.4° | 55.0° |
| O3 | C3 | C4 | H3 | 122.7° | 119.9° |
| O3 | C3 | C4 | C5 | 154.0° | 64.9° |
| O3 | C3 | C2 | H2 | 32.0° | 55.0° |
| O3 | C3 | C2 | H2A | 152.1° | 175.1° |
| O3 | C3 | C4 | H4 | 33.9° | 55.1° |
| O3 | C3 | C4 | H4A | 86.0° | 175.0° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4A | 120.0° | 120.0° |
| C3 | C4 | C5 | C6 | 151.4° | 180.0° |
| C4 | C3 | C2 | H2 | 82.3° | 65.1° |
| C4 | C3 | C2 | H2A | 37.7° | 55.0° |
| C4 | C3 | O3 | HO3 | 63.3° | 60.0° |
| C3 | C4 | H4 | H4A | 118.9° | 120.0° |
| C3 | C4 | C5 | H5 | 88.6° | 60.1° |
| C3 | C4 | C5 | H5A | 31.4° | 60.0° |
| C4 | C5 | C6 | H5 | 120.0° | 119.9° |
| C4 | C5 | C6 | H5A | 120.0° | 120.1° |
| C5 | C4 | C3 | H3 | 31.3° | 55.0° |
| C5 | C4 | H4 | H4A | 118.9° | 120.0° |
| C4 | C5 | H5 | H5A | 119.4° | 120.1° |
| C4 | C5 | C6 | H6 | 180.0° | 179.9° |
| C4 | C5 | C6 | H6A | 60.0° | 60.0° |
| C4 | C5 | C6 | H6B | 60.0° | 60.0° |
| C6 | C5 | C4 | H4 | 31.4° | 60.0° |
| C6 | C5 | C4 | H4A | 88.6° | 60.0° |
| C6 | C5 | H5 | H5A | 119.4° | 120.0° |
| C5 | C6 | H6 | H6A | 120.0° | 120.0° |
| C5 | C6 | H6 | H6B | 120.0° | 120.0° |
| C5 | C6 | H6A | H6B | 120.0° | 120.0° |
| N1A | C2A | N3A | H2AA | 180.0° | 180.0° |
| N1A | C2A | N3A | C4A | 0.2° | 0.0° |
| C2A | N1A | C6A | C5A | 0.5° | 0.0° |
| C2A | N1A | C6A | N6A | 180.0° | 180.0° |
| C6A | N1A | C2A | N3A | 0.6° | 0.0° |
| N1A | C6A | C5A | C4A | 0.0° | 0.0° |
| N1A | C6A | C5A | N6A | 179.5° | 180.0° |
| N1A | C6A | C5A | N7A | 179.1° | 179.9° |
| C6A | N1A | C2A | H2AA | 179.4° | 180.0° |
| N1A | C6A | N6A | HN6A | 0.0° | 0.0° |
| N1A | C6A | N6A | HN6B | 120.0° | 180.0° |
| O1A | P1A | O2A | O3A | 126.7° | 120.0° |
| O1A | P1A | O2A | O5B | 124.2° | 120.0° |
| O1A | P1A | O3A | O5B | 113.9° | 120.0° |
| O1A | P1A | O3A | P2A | 116.3° | 40.0° |
| O1A | P1A | O5B | C5B | 48.3° | 55.0° |
| O2A | P1A | O3A | O5B | 114.6° | 120.0° |
| O2A | P1A | O3A | P2A | 15.2° | 80.0° |
| O2A | P1A | O5B | C5B | 175.2° | 65.0° |
| P1A | O3A | P2A | O4A | 179.5° | 40.0° |
| P1A | O3A | P2A | O5A | 41.2° | 80.0° |
| P1A | O3A | P2A | O6A | 76.0° | 160.0° |
| O3A | P1A | O5B | C5B | 60.7° | 175.0° |
| O5B | P1A | O3A | P2A | 129.8° | 160.0° |
| P1A | O5B | C5B | C4B | 140.9° | 180.0° |
| P1A | O5B | C5B | H5B | 99.1° | 60.0° |
| P1A | O5B | C5B | H5BA | 20.9° | 60.0° |
| C2B | C1B | O4B | N9A | 124.8° | 118.5° |
| C2B | C1B | O4B | H1B | 117.5° | 118.5° |
| C2B | C1B | N9A | H1B | 117.7° | 123.0° |
| C1B | C2B | O2B | C3B | 107.9° | 112.7° |
| C1B | C2B | O2B | H2B | 127.4° | 123.6° |
| C1B | C2B | C3B | H2B | 127.4° | 118.2° |
| C1B | C2B | C3B | O3B | 76.6° | 97.7° |
| C1B | C2B | C3B | C4B | 34.6° | 20.9° |
| C2B | C1B | N9A | C4A | 126.3° | 84.9° |
| C2B | C1B | O4B | C4B | 22.2° | 40.1° |
| C2B | C1B | N9A | C8A | 57.4° | 95.0° |
| C1B | C2B | O2B | HO2B | 180.0° | 61.4° |
| C1B | C2B | C3B | H3B | 159.8° | 139.7° |
| O4B | C1B | N9A | H1B | 125.7° | 123.0° |
| O4B | C1B | C2B | O2B | 148.5° | 155.3° |
| O4B | C1B | C2B | C3B | 34.9° | 37.1° |
| C1B | O4B | C4B | C3B | 0.2° | 26.6° |
| O4B | C1B | N9A | C4A | 117.2° | 161.0° |
| C1B | O4B | C4B | C5B | 124.2° | 146.0° |
| O4B | C1B | N9A | C8A | 59.1° | 19.1° |
| O4B | C1B | C2B | H2B | 88.3° | 81.2° |
| C1B | O4B | C4B | H4B | 119.1° | 92.9° |
| N9A | C1B | C2B | O2B | 95.1° | 86.3° |
| N9A | C1B | C2B | C3B | 151.3° | 155.5° |
| C1B | N9A | C4A | N3A | 2.4° | 0.1° |
| C1B | N9A | C4A | C5A | 177.1° | 180.0° |
| C1B | N9A | C4A | C8A | 177.0° | 179.9° |
| N9A | C1B | O4B | C4B | 147.0° | 158.6° |
| C1B | N9A | C8A | N7A | 177.8° | 180.0° |
| N9A | C1B | C2B | H2B | 28.0° | 37.3° |
| C1B | N9A | C8A | H8A | 2.2° | 0.0° |
| S1P | C2P | C3P | H2P | 120.0° | 120.0° |
| S1P | C2P | C3P | H2PA | 120.0° | 120.0° |
| S1P | C2P | C3P | N4P | 164.1° | 180.0° |
| S1P | C2P | H2P | H2PA | 120.7° | 120.0° |
| S1P | C2P | C3P | H3P | 44.1° | 60.0° |
| S1P | C2P | C3P | H3PA | 75.9° | 60.0° |
| C2A | N3A | C4A | C5A | 0.2° | 0.0° |
| C2A | N3A | C4A | N9A | 179.6° | 179.9° |
| O3A | P2A | O4A | O5A | 132.3° | 120.0° |
| O3A | P2A | O4A | O6A | 103.2° | 120.0° |
| O3A | P2A | O5A | O6A | 109.1° | 120.0° |
| O3A | P2A | O6A | CCP | 157.0° | 175.0° |
| O4A | P2A | O5A | O6A | 119.6° | 120.0° |
| O4A | P2A | O6A | CCP | 91.9° | 55.0° |
| O5A | P2A | O6A | CCP | 40.1° | 65.0° |
| P2A | O6A | CCP | CBP | 158.9° | 180.0° |
| P2A | O6A | CCP | HCP | 81.1° | 60.0° |
| P2A | O6A | CCP | HCPA | 38.9° | 60.0° |
| O2B | C2B | C3B | H2B | 124.5° | 123.6° |
| O2B | C2B | C3B | O3B | 31.6° | 20.4° |
| O2B | C2B | C3B | C4B | 142.8° | 139.1° |
| O2B | C2B | C1B | H1B | 22.8° | 36.7° |
| O2B | C2B | C3B | H3B | 92.0° | 102.1° |
| C2B | C3B | O3B | C4B | 110.4° | 114.7° |
| C2B | C3B | O3B | H3B | 124.3° | 122.6° |
| C2B | C3B | C4B | H3B | 123.7° | 118.8° |
| C2B | C3B | O3B | P3B | 138.5° | 121.5° |
| C2B | C3B | C4B | O4B | 22.0° | 2.1° |
| C2B | C3B | C4B | C5B | 99.3° | 121.5° |
| C3B | C2B | C1B | H1B | 90.8° | 81.5° |
| C3B | C2B | O2B | HO2B | 72.0° | 174.1° |
| C2B | C3B | C4B | H4B | 144.1° | 117.4° |
| C2P | C3P | N4P | H3P | 120.0° | 120.0° |
| C2P | C3P | N4P | H3PA | 120.0° | 120.0° |
| C2P | C3P | N4P | C5P | 113.7° | 180.0° |
| C3P | C2P | H2P | H2PA | 120.6° | 120.1° |
| C2P | C3P | H3P | H3PA | 121.6° | 120.1° |
| C2P | C3P | N4P | HN4P | 66.3° | 0.1° |
| N3A | C4A | C5A | N9A | 179.5° | 180.0° |
| N3A | C4A | C5A | C6A | 0.3° | 0.0° |
| N3A | C4A | C5A | N7A | 179.6° | 180.0° |
| N3A | C4A | N9A | C8A | 179.3° | 180.0° |
| C4A | N3A | C2A | H2AA | 179.7° | 180.0° |
| O3B | C3B | C4B | H3B | 123.3° | 122.6° |
| C3B | O3B | P3B | O7A | 146.2° | 60.0° |
| C3B | O3B | P3B | O8A | 92.8° | 180.0° |
| C3B | O3B | P3B | O9A | 35.9° | 60.0° |
| O3B | C3B | C4B | O4B | 91.0° | 120.7° |
| O3B | C3B | C4B | C5B | 147.7° | 119.9° |
| O3B | C3B | C2B | H2B | 156.0° | 144.0° |
| O3B | C3B | C4B | H4B | 31.1° | 1.2° |
| C4B | C3B | O3B | P3B | 111.2° | 123.8° |
| C3B | C4B | O4B | C5B | 124.4° | 119.4° |
| C3B | C4B | O4B | H4B | 118.9° | 119.4° |
| C3B | C4B | C5B | H4B | 118.7° | 121.0° |
| C3B | C4B | C5B | O5B | 51.2° | 175.0° |
| C4B | C3B | C2B | H2B | 92.7° | 97.3° |
| C3B | C4B | C5B | H5B | 171.2° | 54.9° |
| C3B | C4B | C5B | H5BA | 68.8° | 65.1° |
| O3B | P3B | O7A | O8A | 119.6° | 120.0° |
| O3B | P3B | O7A | O9A | 105.4° | 120.0° |
| O3B | P3B | O8A | O9A | 115.2° | 120.0° |
| P3B | O3B | C3B | H3B | 14.1° | 1.1° |
| O7A | P3B | O8A | O9A | 127.1° | 120.0° |
| C3P | N4P | C5P | HN4P | 180.0° | 179.9° |
| C3P | N4P | C5P | O5P | 0.4° | 0.0° |
| C3P | N4P | C5P | C6P | 178.0° | 180.0° |
| N4P | C3P | C2P | H2P | 75.9° | 60.0° |
| N4P | C3P | C2P | H2PA | 44.1° | 60.1° |
| N4P | C3P | H3P | H3PA | 121.6° | 120.0° |
| C4A | C5A | C6A | N7A | 179.1° | 179.9° |
| C4A | C5A | C6A | N6A | 179.6° | 180.0° |
| C4A | C5A | N7A | C8A | 1.4° | 0.0° |
| C5A | C4A | N9A | C8A | 0.1° | 0.0° |
| N9A | C4A | C5A | C6A | 179.9° | 179.9° |
| N9A | C4A | C5A | N7A | 0.8° | 0.0° |
| C4A | N9A | C8A | N7A | 1.0° | 0.0° |
| C4A | N9A | C1B | H1B | 8.6° | 38.0° |
| C4A | N9A | C8A | H8A | 178.9° | 180.0° |
| O4B | C4B | C5B | H4B | 122.0° | 121.1° |
| O4B | C4B | C5B | O5B | 68.1° | 67.2° |
| C4B | O4B | C1B | H1B | 95.3° | 78.4° |
| O4B | C4B | C3B | H3B | 145.7° | 116.7° |
| O4B | C4B | C5B | H5B | 51.9° | 172.8° |
| O4B | C4B | C5B | H5BA | 171.9° | 52.8° |
| C4B | C5B | O5B | H5B | 120.0° | 120.1° |
| C4B | C5B | O5B | H5BA | 120.0° | 120.0° |
| C5B | C4B | C3B | H3B | 24.4° | 2.7° |
| C4B | C5B | H5B | H5BA | 119.8° | 120.0° |
| N4P | C5P | O5P | C6P | 178.3° | 180.0° |
| N4P | C5P | C6P | C7P | 175.8° | 180.0° |
| C5P | N4P | C3P | H3P | 6.3° | 60.0° |
| C5P | N4P | C3P | H3PA | 126.3° | 60.0° |
| N4P | C5P | C6P | H6P | 64.3° | 60.0° |
| N4P | C5P | C6P | H6PA | 55.8° | 60.1° |
| C6A | C5A | N7A | C8A | 179.4° | 179.9° |
| C5A | C6A | N6A | HN6A | 179.5° | 180.0° |
| C5A | C6A | N6A | HN6B | 60.5° | 0.0° |
| N7A | C5A | C6A | N6A | 0.5° | 0.1° |
| C5A | N7A | C8A | N9A | 1.5° | 0.0° |
| C5A | N7A | C8A | H8A | 178.4° | 180.0° |
| O5B | C5B | C4B | H4B | 169.8° | 53.9° |
| O5B | C5B | H5B | H5BA | 119.8° | 119.9° |
| O5P | C5P | C6P | C7P | 5.8° | 0.0° |
| O5P | C5P | N4P | HN4P | 179.6° | 179.9° |
| O5P | C5P | C6P | H6P | 114.2° | 120.0° |
| O5P | C5P | C6P | H6PA | 125.8° | 119.9° |
| C5P | C6P | C7P | H6P | 120.0° | 120.0° |
| C5P | C6P | C7P | H6PA | 120.0° | 120.0° |
| C5P | C6P | C7P | N8P | 179.7° | 180.0° |
| C6P | C5P | N4P | HN4P | 2.0° | 0.1° |
| C5P | C6P | H6P | H6PA | 119.0° | 120.0° |
| C5P | C6P | C7P | H7P | 59.7° | 60.0° |
| C5P | C6P | C7P | H7PA | 60.4° | 60.0° |
| C6A | N6A | HN6A | HN6B | 120.0° | 180.0° |
| O6A | CCP | CBP | CAP | 71.7° | 180.0° |
| O6A | CCP | CBP | HCP | 120.0° | 120.0° |
| O6A | CCP | CBP | HCPA | 120.0° | 120.0° |
| O6A | CCP | CBP | CDP | 168.1° | 60.0° |
| O6A | CCP | CBP | CEP | 49.8° | 60.0° |
| O6A | CCP | HCP | HCPA | 119.8° | 120.0° |
| C6P | C7P | N8P | H7P | 120.0° | 120.0° |
| C6P | C7P | N8P | H7PA | 120.0° | 120.0° |
| C6P | C7P | N8P | C9P | 112.3° | 180.0° |
| C7P | C6P | H6P | H6PA | 119.0° | 120.0° |
| C6P | C7P | H7P | H7PA | 118.9° | 120.0° |
| C6P | C7P | N8P | HN8P | 67.7° | 0.0° |
| N7A | C8A | N9A | H8A | 180.0° | 180.0° |
| C7P | N8P | C9P | HN8P | 180.0° | 180.0° |
| C7P | N8P | C9P | O9P | 3.3° | 5.1° |
| C7P | N8P | C9P | CAP | 177.3° | 174.8° |
| N8P | C7P | C6P | H6P | 60.3° | 60.0° |
| N8P | C7P | C6P | H6PA | 59.7° | 60.0° |
| N8P | C7P | H7P | H7PA | 118.8° | 120.0° |
| C8A | N9A | C1B | H1B | 175.1° | 142.1° |
| N8P | C9P | O9P | CAP | 173.6° | 179.9° |
| N8P | C9P | CAP | OAP | 21.6° | 11.8° |
| N8P | C9P | CAP | CBP | 103.9° | 108.2° |
| C9P | N8P | C7P | H7P | 127.7° | 60.0° |
| C9P | N8P | C7P | H7PA | 7.7° | 60.0° |
| N8P | C9P | CAP | HAP | 141.1° | 131.8° |
| O9P | C9P | CAP | OAP | 152.7° | 168.2° |
| O9P | C9P | CAP | CBP | 81.9° | 71.7° |
| O9P | C9P | N8P | HN8P | 176.7° | 174.8° |
| O9P | C9P | CAP | HAP | 33.2° | 48.3° |
| C9P | CAP | OAP | CBP | 127.2° | 120.0° |
| C9P | CAP | OAP | HAP | 117.4° | 119.9° |
| C9P | CAP | CBP | HAP | 116.7° | 119.9° |
| C9P | CAP | CBP | CCP | 154.5° | 174.1° |
| C9P | CAP | CBP | CDP | 38.3° | 65.9° |
| C9P | CAP | CBP | CEP | 85.1° | 54.1° |
| CAP | C9P | N8P | HN8P | 2.7° | 5.2° |
| C9P | CAP | OAP | HOAP | 126.6° | 60.0° |
| OAP | CAP | CBP | HAP | 119.2° | 120.1° |
| OAP | CAP | CBP | CCP | 81.4° | 54.0° |
| OAP | CAP | CBP | CDP | 162.4° | 174.1° |
| OAP | CAP | CBP | CEP | 39.0° | 65.9° |
| CAP | CBP | CCP | CDP | 120.2° | 120.0° |
| CAP | CBP | CCP | CEP | 121.6° | 119.9° |
| CAP | CBP | CDP | CEP | 125.1° | 120.0° |
| CBP | CAP | OAP | HOAP | 106.1° | 60.0° |
| CAP | CBP | CCP | HCP | 168.2° | 60.0° |
| CAP | CBP | CCP | HCPA | 48.3° | 60.0° |
| CAP | CBP | CDP | HDP | 180.0° | 64.3° |
| CAP | CBP | CDP | HDPA | 60.0° | 175.6° |
| CAP | CBP | CDP | HDPB | 60.0° | 55.6° |
| CAP | CBP | CEP | HEP | 180.0° | 60.0° |
| CAP | CBP | CEP | HEPA | 60.0° | 180.0° |
| CAP | CBP | CEP | HEPB | 60.0° | 60.1° |
| CCP | CBP | CDP | CEP | 118.9° | 120.0° |
| CCP | CBP | CAP | HAP | 37.8° | 66.0° |
| CBP | CCP | HCP | HCPA | 119.8° | 120.0° |
| CCP | CBP | CDP | HDP | 64.0° | 175.7° |
| CCP | CBP | CDP | HDPA | 56.0° | 55.6° |
| CCP | CBP | CDP | HDPB | 176.0° | 64.4° |
| CCP | CBP | CEP | HEP | 61.9° | 60.0° |
| CCP | CBP | CEP | HEPA | 178.0° | 60.0° |
| CCP | CBP | CEP | HEPB | 58.0° | 180.0° |
| CDP | CBP | CAP | HAP | 78.4° | 54.0° |
| CDP | CBP | CCP | HCP | 48.0° | 60.0° |
| CDP | CBP | CCP | HCPA | 71.9° | 180.0° |
| CBP | CDP | HDP | HDPA | 120.0° | 120.1° |
| CBP | CDP | HDP | HDPB | 120.0° | 119.9° |
| CBP | CDP | HDPA | HDPB | 120.0° | 120.0° |
| CDP | CBP | CEP | HEP | 54.6° | 180.0° |
| CDP | CBP | CEP | HEPA | 65.4° | 60.0° |
| CDP | CBP | CEP | HEPB | 174.6° | 59.9° |
| CEP | CBP | CAP | HAP | 158.2° | 174.0° |
| CEP | CBP | CCP | HCP | 70.2° | 180.0° |
| CEP | CBP | CCP | HCPA | 169.8° | 59.9° |
| CEP | CBP | CDP | HDP | 54.9° | 55.7° |
| CEP | CBP | CDP | HDPA | 174.9° | 64.4° |
| CEP | CBP | CDP | HDPB | 65.0° | 175.6° |
| CBP | CEP | HEP | HEPA | 120.0° | 120.0° |
| CBP | CEP | HEP | HEPB | 120.0° | 120.0° |
| CBP | CEP | HEPA | HEPB | 120.0° | 119.9° |
| H2 | C2 | C3 | H3 | 155.0° | 174.9° |
| H2A | C2 | C3 | H3 | 85.0° | 64.9° |
| H3 | C3 | O3 | HO3 | 59.1° | 180.0° |
| H3 | C3 | C4 | H4 | 88.7° | 175.0° |
| H3 | C3 | C4 | H4A | 151.3° | 65.0° |
| H4 | C4 | C5 | H5 | 151.4° | 180.0° |
| H4 | C4 | C5 | H5A | 88.6° | 60.0° |
| H4A | C4 | C5 | H5 | 31.4° | 60.0° |
| H4A | C4 | C5 | H5A | 151.4° | 180.0° |
| H5 | C5 | C6 | H6 | 60.0° | 60.0° |
| H5 | C5 | C6 | H6A | 180.0° | 180.0° |
| H5 | C5 | C6 | H6B | 60.0° | 60.0° |
| H5A | C5 | C6 | H6 | 60.0° | 60.0° |
| H5A | C5 | C6 | H6A | 60.0° | 60.1° |
| H5A | C5 | C6 | H6B | 180.0° | 180.0° |
| H6 | C6 | H6A | H6B | 120.0° | 120.0° |
| H1B | C1B | C2B | H2B | 145.9° | 160.3° |
| H2B | C2B | O2B | HO2B | 52.6° | 62.2° |
| H2B | C2B | C3B | H3B | 32.4° | 21.5° |
| H2P | C2P | C3P | H3P | 164.1° | 180.0° |
| H2P | C2P | C3P | H3PA | 44.1° | 60.0° |
| H2PA | C2P | C3P | H3P | 75.9° | 60.0° |
| H2PA | C2P | C3P | H3PA | 164.1° | 180.0° |
| H3B | C3B | C4B | H4B | 92.1° | 123.8° |
| H3P | C3P | N4P | HN4P | 173.7° | 119.9° |
| H3PA | C3P | N4P | HN4P | 53.7° | 120.1° |
| H4B | C4B | C5B | H5B | 70.2° | 66.1° |
| H4B | C4B | C5B | H5BA | 49.8° | 173.9° |
| H6P | C6P | C7P | H7P | 179.7° | 180.0° |
| H6P | C6P | C7P | H7PA | 59.6° | 60.0° |
| H6PA | C6P | C7P | H7P | 60.3° | 59.9° |
| H6PA | C6P | C7P | H7PA | 179.7° | 179.9° |
| H7P | C7P | N8P | HN8P | 52.3° | 119.9° |
| H7PA | C7P | N8P | HN8P | 172.3° | 120.0° |
| HAP | CAP | OAP | HOAP | 9.3° | 179.9° |
| HDP | CDP | HDPA | HDPB | 120.0° | 120.0° |
| HEP | CEP | HEPA | HEPB | 120.0° | 120.1° |
