TC6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.22Å | 1.25Å | |
| C1 | C2 | sing | 1.47Å | 1.39Å | |
| C1 | S1P | sing | 1.76Å | 1.77Å | |
| C2 | C3 | doub | 1.33Å | 1.37Å | |
| C3 | C4 | sing | 1.51Å | 1.37Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| N1A | C2A | doub | 1.32Å | 1.32Å | Aromatic |
| N1A | C6A | sing | 1.33Å | 1.34Å | Aromatic |
| O1A | P1A | doub | 1.54Å | 1.47Å | |
| P1A | O2A | sing | 1.54Å | 1.48Å | |
| P1A | O3A | sing | 1.61Å | 1.58Å | |
| P1A | O5B | sing | 1.61Å | 1.64Å | |
| C1B | C2B | sing | 1.55Å | 1.53Å | |
| C1B | O4B | sing | 1.44Å | 1.44Å | |
| C1B | N9A | sing | 1.47Å | 1.45Å | |
| S1P | C2P | sing | 1.81Å | 1.84Å | |
| C2A | N3A | sing | 1.32Å | 1.33Å | Aromatic |
| P2A | O3A | sing | 1.61Å | 1.60Å | |
| P2A | O4A | sing | 1.55Å | 1.48Å | |
| P2A | O5A | doub | 1.54Å | 1.47Å | |
| P2A | O6A | sing | 1.61Å | 1.62Å | |
| C2B | O2B | sing | 1.43Å | 1.44Å | |
| C2B | C3B | sing | 1.55Å | 1.54Å | |
| C2P | C3P | sing | 1.53Å | 1.52Å | |
| N3A | C4A | doub | 1.33Å | 1.35Å | Aromatic |
| C3B | O3B | sing | 1.43Å | 1.44Å | |
| C3B | C4B | sing | 1.54Å | 1.54Å | |
| O3B | P3B | sing | 1.61Å | 1.62Å | |
| P3B | O7A | sing | 1.57Å | 1.63Å | |
| P3B | O8A | sing | 1.57Å | 1.63Å | |
| P3B | O9A | doub | 1.57Å | 1.48Å | |
| C3P | N4P | sing | 1.46Å | 1.47Å | |
| C4A | C5A | sing | 1.40Å | 1.38Å | Aromatic |
| C4A | N9A | sing | 1.37Å | 1.33Å | Aromatic |
| C4B | O4B | sing | 1.44Å | 1.47Å | |
| C4B | C5B | sing | 1.53Å | 1.57Å | |
| N4P | C5P | sing | 1.35Å | 1.34Å | |
| C5A | C6A | doub | 1.40Å | 1.39Å | Aromatic |
| C5A | N7A | sing | 1.36Å | 1.33Å | Aromatic |
| C5B | O5B | sing | 1.43Å | 1.45Å | |
| C5P | O5P | doub | 1.21Å | 1.24Å | |
| C5P | C6P | sing | 1.51Å | 1.55Å | |
| C6A | N6A | sing | 1.38Å | 1.32Å | |
| O6A | CCP | sing | 1.43Å | 1.46Å | |
| C6P | C7P | sing | 1.53Å | 1.53Å | |
| N7A | C8A | doub | 1.30Å | 1.33Å | Aromatic |
| C7P | N8P | sing | 1.46Å | 1.47Å | |
| C8A | N9A | sing | 1.36Å | 1.33Å | Aromatic |
| N8P | C9P | sing | 1.35Å | 1.34Å | |
| C9P | O9P | doub | 1.21Å | 1.24Å | |
| C9P | CAP | sing | 1.51Å | 1.56Å | |
| CAP | OAP | sing | 1.43Å | 1.43Å | |
| CAP | CBP | sing | 1.53Å | 1.55Å | |
| CBP | CCP | sing | 1.53Å | 1.54Å | |
| CBP | CDP | sing | 1.53Å | 1.52Å | |
| CBP | CEP | sing | 1.53Å | 1.52Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| 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 | H2A | 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 | 121.6° | 120.0° |
| O1 | C1 | S1P | 122.7° | 120.0° |
| C2 | C1 | S1P | 115.7° | 120.0° |
| C1 | C2 | C3 | 118.5° | 120.0° |
| C1 | C2 | H2 | 120.8° | 120.0° |
| C1 | S1P | C2P | 99.7° | 100.0° |
| C2 | C3 | C4 | 120.4° | 120.1° |
| C3 | C2 | H2 | 120.8° | 120.0° |
| C2 | C3 | H3 | 119.8° | 120.0° |
| C3 | C4 | C5 | 107.3° | 109.5° |
| C4 | C3 | H3 | 119.8° | 119.9° |
| C3 | C4 | H4 | 110.2° | 109.5° |
| C3 | C4 | H4A | 110.2° | 109.4° |
| C4 | C5 | C6 | 115.8° | 109.5° |
| C5 | C4 | H4 | 110.2° | 109.5° |
| C5 | C4 | H4A | 110.2° | 109.4° |
| C4 | C5 | H5 | 107.4° | 109.5° |
| C4 | C5 | H5A | 107.4° | 109.4° |
| C6 | C5 | H5 | 107.4° | 109.5° |
| C6 | C5 | H5A | 107.4° | 109.4° |
| C5 | C6 | H6 | 109.5° | 109.5° |
| C5 | C6 | H6A | 109.5° | 109.5° |
| C5 | C6 | H6B | 109.4° | 109.5° |
| C2A | N1A | C6A | 120.5° | 121.1° |
| N1A | C2A | N3A | 121.2° | 122.5° |
| N1A | C2A | H2A | 119.4° | 118.8° |
| N1A | C6A | C5A | 119.9° | 118.4° |
| N1A | C6A | N6A | 120.7° | 120.7° |
| O1A | P1A | O2A | 120.6° | 109.5° |
| O1A | P1A | O3A | 106.0° | 109.5° |
| O1A | P1A | O5B | 109.2° | 109.5° |
| O2A | P1A | O3A | 108.3° | 109.4° |
| O2A | P1A | O5B | 106.9° | 109.5° |
| O3A | P1A | O5B | 104.8° | 109.4° |
| P1A | O3A | P2A | 121.4° | 134.0° |
| P1A | O5B | C5B | 121.1° | 123.0° |
| C2B | C1B | O4B | 102.2° | 103.5° |
| C2B | C1B | N9A | 116.1° | 110.6° |
| C1B | C2B | O2B | 110.3° | 110.9° |
| C1B | C2B | C3B | 98.7° | 102.1° |
| C2B | C1B | H1B | 108.6° | 110.6° |
| C1B | C2B | H2B | 116.7° | 110.9° |
| O4B | C1B | N9A | 104.4° | 110.6° |
| C1B | O4B | C4B | 106.3° | 107.0° |
| O4B | C1B | H1B | 119.5° | 110.6° |
| C1B | N9A | C4A | 126.6° | 126.3° |
| C1B | N9A | C8A | 124.7° | 126.3° |
| N9A | C1B | H1B | 106.6° | 110.7° |
| S1P | C2P | C3P | 113.1° | 109.5° |
| S1P | C2P | H2P | 108.3° | 109.5° |
| S1P | C2P | H2PA | 108.3° | 109.5° |
| C2A | N3A | C4A | 121.4° | 120.6° |
| N3A | C2A | H2A | 119.4° | 118.7° |
| O3A | P2A | O4A | 109.4° | 109.5° |
| O3A | P2A | O5A | 109.0° | 109.5° |
| O3A | P2A | O6A | 100.4° | 109.5° |
| O4A | P2A | O5A | 120.3° | 109.5° |
| O4A | P2A | O6A | 106.9° | 109.4° |
| O5A | P2A | O6A | 108.9° | 109.4° |
| P2A | O6A | CCP | 123.7° | 123.0° |
| O2B | C2B | C3B | 112.4° | 110.9° |
| O2B | C2B | H2B | 104.1° | 110.8° |
| C2B | O2B | HO2B | 109.5° | 114.0° |
| C2B | C3B | O3B | 110.3° | 110.5° |
| C2B | C3B | C4B | 102.1° | 104.2° |
| C3B | C2B | H2B | 114.8° | 110.9° |
| C2B | C3B | H3B | 112.9° | 110.5° |
| C2P | C3P | N4P | 110.1° | 109.5° |
| C3P | C2P | H2P | 108.3° | 109.4° |
| C3P | C2P | H2PA | 108.3° | 109.5° |
| C2P | C3P | H3P | 109.2° | 109.4° |
| C2P | C3P | H3PA | 109.3° | 109.5° |
| N3A | C4A | C5A | 118.4° | 119.1° |
| N3A | C4A | N9A | 134.9° | 134.9° |
| O3B | C3B | C4B | 107.1° | 110.5° |
| C3B | O3B | P3B | 124.1° | 123.0° |
| O3B | C3B | H3B | 108.4° | 110.4° |
| C3B | C4B | O4B | 106.2° | 107.3° |
| C3B | C4B | C5B | 116.0° | 109.8° |
| C4B | C3B | H3B | 115.8° | 110.6° |
| C3B | C4B | H4B | 108.2° | 109.9° |
| O3B | P3B | O7A | 105.0° | 109.4° |
| O3B | P3B | O8A | 108.5° | 109.5° |
| O3B | P3B | O9A | 111.1° | 109.5° |
| O7A | P3B | O8A | 102.5° | 109.5° |
| O7A | P3B | O9A | 116.9° | 109.5° |
| O8A | P3B | O9A | 112.1° | 109.5° |
| C3P | N4P | C5P | 126.1° | 120.0° |
| N4P | C3P | H3P | 109.3° | 109.5° |
| N4P | C3P | H3PA | 109.3° | 109.5° |
| C3P | N4P | HN4P | 117.0° | 120.0° |
| C5A | C4A | N9A | 106.7° | 106.0° |
| C4A | C5A | C6A | 118.7° | 118.2° |
| C4A | C5A | N7A | 107.4° | 107.1° |
| C4A | N9A | C8A | 108.7° | 107.5° |
| O4B | C4B | C5B | 112.0° | 109.9° |
| O4B | C4B | H4B | 112.6° | 109.9° |
| C4B | C5B | O5B | 114.6° | 109.4° |
| C5B | C4B | H4B | 102.0° | 110.0° |
| C4B | C5B | H5B | 107.8° | 109.5° |
| C4B | C5B | H5BA | 107.8° | 109.5° |
| N4P | C5P | O5P | 125.3° | 120.0° |
| N4P | C5P | C6P | 112.7° | 120.0° |
| C5P | N4P | HN4P | 116.9° | 120.0° |
| C6A | C5A | N7A | 133.9° | 134.7° |
| C5A | C6A | N6A | 119.5° | 120.8° |
| C5A | N7A | C8A | 108.3° | 109.4° |
| O5B | C5B | H5B | 107.8° | 109.5° |
| O5B | C5B | H5BA | 107.8° | 109.5° |
| O5P | C5P | C6P | 121.9° | 120.0° |
| C5P | C6P | C7P | 113.6° | 109.4° |
| C5P | C6P | H6P | 108.1° | 109.5° |
| C5P | C6P | H6PA | 108.1° | 109.5° |
| C6A | N6A | HN6A | 109.5° | 120.1° |
| C6A | N6A | HN6B | 109.5° | 120.0° |
| O6A | CCP | CBP | 115.7° | 109.4° |
| O6A | CCP | HCP | 107.4° | 109.5° |
| O6A | CCP | HCPA | 107.4° | 109.4° |
| C6P | C7P | N8P | 108.6° | 109.4° |
| C7P | C6P | H6P | 108.1° | 109.5° |
| C7P | C6P | H6PA | 108.1° | 109.5° |
| C6P | C7P | H7P | 109.8° | 109.5° |
| C6P | C7P | H7PA | 109.8° | 109.5° |
| N7A | C8A | N9A | 109.0° | 110.0° |
| N7A | C8A | H8A | 125.5° | 125.0° |
| C7P | N8P | C9P | 123.2° | 120.0° |
| N8P | C7P | H7P | 109.8° | 109.5° |
| N8P | C7P | H7PA | 109.8° | 109.5° |
| C7P | N8P | HN8P | 118.4° | 120.0° |
| N9A | C8A | H8A | 125.5° | 125.0° |
| N8P | C9P | O9P | 124.2° | 120.0° |
| N8P | C9P | CAP | 115.0° | 120.0° |
| C9P | N8P | HN8P | 118.4° | 119.9° |
| O9P | C9P | CAP | 120.6° | 120.0° |
| C9P | CAP | OAP | 110.2° | 109.5° |
| C9P | CAP | CBP | 117.1° | 109.5° |
| C9P | CAP | HAP | 103.6° | 109.5° |
| OAP | CAP | CBP | 109.8° | 109.4° |
| OAP | CAP | HAP | 111.8° | 109.5° |
| CAP | OAP | HOAP | 109.5° | 114.0° |
| CAP | CBP | CCP | 104.8° | 109.5° |
| CAP | CBP | CDP | 115.4° | 109.4° |
| CAP | CBP | CEP | 111.0° | 109.5° |
| CBP | CAP | HAP | 104.1° | 109.5° |
| CCP | CBP | CDP | 107.6° | 109.5° |
| CCP | CBP | CEP | 112.6° | 109.5° |
| CBP | CCP | HCP | 107.5° | 109.5° |
| CBP | CCP | HCPA | 107.5° | 109.5° |
| CDP | CBP | CEP | 105.6° | 109.5° |
| CBP | CDP | HDP | 109.5° | 109.5° |
| CBP | CDP | HDPA | 109.5° | 109.5° |
| CBP | CDP | HDPB | 109.4° | 109.5° |
| CBP | CEP | HEP | 109.5° | 109.5° |
| CBP | CEP | HEPA | 109.4° | 109.5° |
| CBP | CEP | HEPB | 109.4° | 109.5° |
| H4 | C4 | H4A | 108.7° | 109.5° |
| H5 | C5 | H5A | 111.5° | 109.5° |
| H6 | C6 | H6A | 109.5° | 109.4° |
| H6 | C6 | H6B | 109.5° | 109.4° |
| H6A | C6 | H6B | 109.5° | 109.5° |
| H2P | C2P | H2PA | 110.7° | 109.5° |
| H3P | C3P | H3PA | 109.7° | 109.5° |
| H5B | C5B | H5BA | 111.1° | 109.5° |
| HN6A | N6A | HN6B | 109.4° | 120.0° |
| H6P | C6P | H6PA | 110.8° | 109.5° |
| H7P | C7P | H7PA | 109.2° | 109.4° |
| HCP | CCP | HCPA | 111.4° | 109.5° |
| HDP | CDP | HDPA | 109.5° | 109.4° |
| HDP | CDP | HDPB | 109.5° | 109.5° |
| HDPA | CDP | HDPB | 109.5° | 109.5° |
| HEP | CEP | HEPA | 109.5° | 109.4° |
| HEP | CEP | HEPB | 109.5° | 109.4° |
| 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 | 179.7° | 179.7° |
| O1 | C1 | C2 | C3 | 0.4° | 0.0° |
| O1 | C1 | S1P | C2P | 9.2° | 0.0° |
| O1 | C1 | C2 | H2 | 179.6° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 175.8° | 180.0° |
| C2 | C1 | S1P | C2P | 170.5° | 179.7° |
| C1 | C2 | C3 | H3 | 4.2° | 0.0° |
| S1P | C1 | C2 | C3 | 179.9° | 179.7° |
| C1 | S1P | C2P | C3P | 80.6° | 180.0° |
| S1P | C1 | C2 | H2 | 0.1° | 0.3° |
| C1 | S1P | C2P | H2P | 39.4° | 60.0° |
| C1 | S1P | C2P | H2PA | 159.4° | 60.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 134.1° | 125.0° |
| C2 | C3 | C4 | H4 | 105.9° | 115.0° |
| C2 | C3 | C4 | H4A | 14.2° | 5.1° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4A | 120.0° | 119.9° |
| C3 | C4 | C5 | C6 | 87.1° | 180.0° |
| C4 | C3 | C2 | H2 | 4.2° | 0.0° |
| C3 | C4 | H4 | H4A | 120.9° | 120.0° |
| C3 | C4 | C5 | H5 | 32.9° | 60.0° |
| C3 | C4 | C5 | H5A | 152.9° | 60.1° |
| C4 | C5 | C6 | H5 | 120.0° | 120.1° |
| C4 | C5 | C6 | H5A | 120.0° | 119.9° |
| C5 | C4 | C3 | H3 | 45.8° | 55.0° |
| C5 | C4 | H4 | H4A | 120.9° | 120.0° |
| C4 | C5 | H5 | H5A | 117.4° | 120.0° |
| C4 | C5 | C6 | H6 | 180.0° | 59.9° |
| C4 | C5 | C6 | H6A | 60.0° | 60.0° |
| C4 | C5 | C6 | H6B | 60.0° | 179.9° |
| C6 | C5 | C4 | H4 | 152.9° | 60.0° |
| C6 | C5 | C4 | H4A | 32.9° | 60.1° |
| C6 | C5 | H5 | H5A | 117.4° | 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 | H2A | 180.0° | 180.0° |
| N1A | C2A | N3A | C4A | 0.2° | 0.1° |
| C2A | N1A | C6A | C5A | 0.4° | 0.0° |
| C2A | N1A | C6A | N6A | 179.8° | 180.0° |
| C6A | N1A | C2A | N3A | 0.0° | 0.0° |
| N1A | C6A | C5A | C4A | 0.6° | 0.0° |
| N1A | C6A | C5A | N6A | 179.4° | 180.0° |
| N1A | C6A | C5A | N7A | 179.9° | 179.9° |
| C6A | N1A | C2A | H2A | 180.0° | 180.0° |
| N1A | C6A | N6A | HN6A | 0.0° | 0.0° |
| N1A | C6A | N6A | HN6B | 120.0° | 180.0° |
| O1A | P1A | O2A | O3A | 122.2° | 120.0° |
| O1A | P1A | O2A | O5B | 125.3° | 120.1° |
| O1A | P1A | O3A | O5B | 115.4° | 120.0° |
| O1A | P1A | O3A | P2A | 61.4° | 40.0° |
| O1A | P1A | O5B | C5B | 37.5° | 55.0° |
| O2A | P1A | O3A | O5B | 113.9° | 120.0° |
| O2A | P1A | O3A | P2A | 167.9° | 80.0° |
| O2A | P1A | O5B | C5B | 94.4° | 65.0° |
| P1A | O3A | P2A | O4A | 21.2° | 75.0° |
| P1A | O3A | P2A | O5A | 112.2° | 45.0° |
| P1A | O3A | P2A | O6A | 133.5° | 165.0° |
| O3A | P1A | O5B | C5B | 150.7° | 175.0° |
| O5B | P1A | O3A | P2A | 54.0° | 160.0° |
| P1A | O5B | C5B | C4B | 91.5° | 180.0° |
| P1A | O5B | C5B | H5B | 148.5° | 60.0° |
| P1A | O5B | C5B | H5BA | 28.5° | 60.0° |
| C2B | C1B | O4B | N9A | 121.3° | 118.5° |
| C2B | C1B | O4B | H1B | 119.8° | 118.5° |
| C2B | C1B | N9A | H1B | 121.1° | 123.0° |
| C1B | C2B | O2B | C3B | 109.1° | 112.7° |
| C1B | C2B | O2B | H2B | 126.0° | 123.6° |
| C1B | C2B | C3B | H2B | 124.9° | 118.2° |
| C1B | C2B | C3B | O3B | 74.1° | 97.8° |
| C1B | C2B | C3B | C4B | 39.5° | 20.9° |
| C2B | C1B | N9A | C4A | 117.4° | 85.0° |
| C2B | C1B | O4B | C4B | 40.1° | 40.1° |
| C2B | C1B | N9A | C8A | 63.7° | 95.0° |
| C1B | C2B | O2B | HO2B | 180.0° | 61.5° |
| C1B | C2B | C3B | H3B | 164.5° | 139.7° |
| O4B | C1B | N9A | H1B | 127.4° | 123.0° |
| O4B | C1B | C2B | O2B | 167.2° | 155.2° |
| O4B | C1B | C2B | C3B | 49.3° | 37.1° |
| C1B | O4B | C4B | C3B | 14.1° | 26.6° |
| O4B | C1B | N9A | C4A | 131.0° | 160.9° |
| C1B | O4B | C4B | C5B | 141.6° | 145.9° |
| O4B | C1B | N9A | C8A | 47.8° | 19.0° |
| O4B | C1B | C2B | H2B | 74.3° | 81.2° |
| C1B | O4B | C4B | H4B | 104.2° | 92.9° |
| N9A | C1B | C2B | O2B | 80.0° | 86.3° |
| N9A | C1B | C2B | C3B | 162.1° | 155.5° |
| C1B | N9A | C4A | N3A | 1.0° | 0.0° |
| C1B | N9A | C4A | C5A | 179.4° | 180.0° |
| C1B | N9A | C4A | C8A | 179.0° | 180.0° |
| N9A | C1B | O4B | C4B | 161.4° | 158.6° |
| C1B | N9A | C8A | N7A | 179.4° | 179.9° |
| N9A | C1B | C2B | H2B | 38.6° | 37.3° |
| C1B | N9A | C8A | H8A | 0.6° | 0.0° |
| S1P | C2P | C3P | H2P | 120.0° | 120.0° |
| S1P | C2P | C3P | H2PA | 120.0° | 120.0° |
| S1P | C2P | C3P | N4P | 149.3° | 180.0° |
| S1P | C2P | H2P | H2PA | 118.5° | 120.0° |
| S1P | C2P | C3P | H3P | 29.3° | 60.0° |
| S1P | C2P | C3P | H3PA | 90.7° | 60.0° |
| C2A | N3A | C4A | C5A | 0.0° | 0.1° |
| C2A | N3A | C4A | N9A | 179.7° | 179.9° |
| O3A | P2A | O4A | O5A | 127.3° | 120.1° |
| O3A | P2A | O4A | O6A | 107.9° | 120.0° |
| O3A | P2A | O5A | O6A | 108.7° | 120.0° |
| O3A | P2A | O6A | CCP | 32.5° | 175.0° |
| O4A | P2A | O5A | O6A | 123.8° | 120.0° |
| O4A | P2A | O6A | CCP | 146.7° | 65.0° |
| O5A | P2A | O6A | CCP | 81.8° | 55.0° |
| P2A | O6A | CCP | CBP | 104.1° | 180.0° |
| P2A | O6A | CCP | HCP | 135.9° | 60.0° |
| P2A | O6A | CCP | HCPA | 16.0° | 60.0° |
| O2B | C2B | C3B | H2B | 118.7° | 123.6° |
| O2B | C2B | C3B | O3B | 42.3° | 20.4° |
| O2B | C2B | C3B | C4B | 155.8° | 139.1° |
| O2B | C2B | C1B | H1B | 40.0° | 36.7° |
| O2B | C2B | C3B | H3B | 79.2° | 102.1° |
| C2B | C3B | O3B | C4B | 110.3° | 114.8° |
| C2B | C3B | O3B | H3B | 124.1° | 122.5° |
| C2B | C3B | C4B | H3B | 123.1° | 118.7° |
| C2B | C3B | O3B | P3B | 166.1° | 121.4° |
| C2B | C3B | C4B | O4B | 17.1° | 2.0° |
| C2B | C3B | C4B | C5B | 108.0° | 121.4° |
| C3B | C2B | C1B | H1B | 77.9° | 81.5° |
| C3B | C2B | O2B | HO2B | 70.9° | 174.2° |
| C2B | C3B | C4B | H4B | 138.2° | 117.4° |
| C2P | C3P | N4P | H3P | 120.0° | 120.0° |
| C2P | C3P | N4P | H3PA | 120.0° | 120.0° |
| C2P | C3P | N4P | C5P | 91.7° | 179.9° |
| C3P | C2P | H2P | H2PA | 118.5° | 120.0° |
| C2P | C3P | H3P | H3PA | 119.7° | 120.0° |
| C2P | C3P | N4P | HN4P | 88.4° | 0.0° |
| N3A | C4A | C5A | N9A | 179.7° | 180.0° |
| N3A | C4A | C5A | C6A | 0.4° | 0.0° |
| N3A | C4A | C5A | N7A | 180.0° | 180.0° |
| N3A | C4A | N9A | C8A | 180.0° | 180.0° |
| C4A | N3A | C2A | H2A | 179.8° | 179.9° |
| O3B | C3B | C4B | H3B | 121.0° | 122.6° |
| C3B | O3B | P3B | O7A | 141.6° | 65.0° |
| C3B | O3B | P3B | O8A | 109.4° | 175.0° |
| C3B | O3B | P3B | O9A | 14.3° | 55.0° |
| O3B | C3B | C4B | O4B | 98.8° | 120.7° |
| O3B | C3B | C4B | C5B | 136.1° | 119.9° |
| O3B | C3B | C2B | H2B | 161.0° | 144.0° |
| O3B | C3B | C4B | H4B | 22.3° | 1.2° |
| C4B | C3B | O3B | P3B | 83.6° | 123.8° |
| C3B | C4B | O4B | C5B | 127.5° | 119.4° |
| C3B | C4B | O4B | H4B | 118.3° | 119.4° |
| C3B | C4B | C5B | H4B | 117.3° | 121.0° |
| C3B | C4B | C5B | O5B | 71.5° | 175.0° |
| C4B | C3B | C2B | H2B | 85.5° | 97.3° |
| C3B | C4B | C5B | H5B | 168.5° | 55.0° |
| C3B | C4B | C5B | H5BA | 48.5° | 65.0° |
| O3B | P3B | O7A | O8A | 113.3° | 120.0° |
| O3B | P3B | O7A | O9A | 123.6° | 120.0° |
| O3B | P3B | O8A | O9A | 123.1° | 120.0° |
| P3B | O3B | C3B | H3B | 42.0° | 1.1° |
| O7A | P3B | O8A | O9A | 126.2° | 120.0° |
| C3P | N4P | C5P | HN4P | 180.0° | 179.9° |
| C3P | N4P | C5P | O5P | 3.2° | 0.1° |
| C3P | N4P | C5P | C6P | 178.6° | 180.0° |
| N4P | C3P | C2P | H2P | 90.7° | 60.0° |
| N4P | C3P | C2P | H2PA | 29.3° | 60.0° |
| N4P | C3P | H3P | H3PA | 119.8° | 120.0° |
| C4A | C5A | C6A | N7A | 179.5° | 179.9° |
| C4A | C5A | C6A | N6A | 179.9° | 180.0° |
| C4A | C5A | N7A | C8A | 0.0° | 0.0° |
| C5A | C4A | N9A | C8A | 0.4° | 0.0° |
| N9A | C4A | C5A | C6A | 179.8° | 180.0° |
| N9A | C4A | C5A | N7A | 0.2° | 0.0° |
| C4A | N9A | C8A | N7A | 0.3° | 0.0° |
| C4A | N9A | C1B | H1B | 3.6° | 38.0° |
| C4A | N9A | C8A | H8A | 179.6° | 180.0° |
| O4B | C4B | C5B | H4B | 120.6° | 121.2° |
| O4B | C4B | C5B | O5B | 50.6° | 67.2° |
| C4B | O4B | C1B | H1B | 79.7° | 78.4° |
| O4B | C4B | C3B | H3B | 140.1° | 116.7° |
| O4B | C4B | C5B | H5B | 69.4° | 172.8° |
| O4B | C4B | C5B | H5BA | 170.6° | 52.8° |
| C4B | C5B | O5B | H5B | 120.0° | 120.0° |
| C4B | C5B | O5B | H5BA | 120.0° | 120.0° |
| C5B | C4B | C3B | H3B | 15.0° | 2.7° |
| C4B | C5B | H5B | H5BA | 117.9° | 120.1° |
| N4P | C5P | O5P | C6P | 178.0° | 179.9° |
| N4P | C5P | C6P | C7P | 150.5° | 179.9° |
| C5P | N4P | C3P | H3P | 28.3° | 59.9° |
| C5P | N4P | C3P | H3PA | 148.3° | 60.0° |
| N4P | C5P | C6P | H6P | 30.5° | 60.0° |
| N4P | C5P | C6P | H6PA | 89.5° | 60.1° |
| C6A | C5A | N7A | C8A | 179.5° | 180.0° |
| C5A | C6A | N6A | HN6A | 179.5° | 179.9° |
| C5A | C6A | N6A | HN6B | 60.6° | 0.1° |
| N7A | C5A | C6A | N6A | 0.5° | 0.1° |
| C5A | N7A | C8A | N9A | 0.2° | 0.1° |
| C5A | N7A | C8A | H8A | 179.8° | 180.0° |
| O5B | C5B | C4B | H4B | 171.1° | 53.9° |
| O5B | C5B | H5B | H5BA | 117.9° | 120.0° |
| O5P | C5P | C6P | C7P | 31.3° | 0.1° |
| O5P | C5P | N4P | HN4P | 176.8° | 180.0° |
| O5P | C5P | C6P | H6P | 151.3° | 119.9° |
| O5P | C5P | C6P | H6PA | 88.7° | 120.1° |
| C5P | C6P | C7P | H6P | 120.0° | 120.0° |
| C5P | C6P | C7P | H6PA | 120.0° | 120.0° |
| C5P | C6P | C7P | N8P | 176.6° | 180.0° |
| C6P | C5P | N4P | HN4P | 1.4° | 0.1° |
| C5P | C6P | H6P | H6PA | 118.3° | 120.0° |
| C5P | C6P | C7P | H7P | 63.4° | 60.0° |
| C5P | C6P | C7P | H7PA | 56.6° | 60.0° |
| C6A | N6A | HN6A | HN6B | 120.0° | 180.0° |
| O6A | CCP | CBP | CAP | 123.5° | 180.0° |
| O6A | CCP | CBP | HCP | 120.0° | 120.0° |
| O6A | CCP | CBP | HCPA | 120.0° | 120.0° |
| O6A | CCP | CBP | CDP | 113.3° | 60.1° |
| O6A | CCP | CBP | CEP | 2.6° | 60.0° |
| O6A | CCP | HCP | HCPA | 117.4° | 120.0° |
| C6P | C7P | N8P | H7P | 120.0° | 120.0° |
| C6P | C7P | N8P | H7PA | 120.0° | 120.0° |
| C6P | C7P | N8P | C9P | 154.5° | 180.0° |
| C7P | C6P | H6P | H6PA | 118.3° | 120.1° |
| C6P | C7P | H7P | H7PA | 120.4° | 120.1° |
| C6P | C7P | N8P | HN8P | 25.5° | 0.0° |
| N7A | C8A | N9A | H8A | 180.0° | 179.9° |
| C7P | N8P | C9P | HN8P | 180.0° | 180.0° |
| C7P | N8P | C9P | O9P | 4.9° | 5.2° |
| C7P | N8P | C9P | CAP | 179.5° | 174.9° |
| N8P | C7P | C6P | H6P | 56.6° | 60.0° |
| N8P | C7P | C6P | H6PA | 63.4° | 60.0° |
| N8P | C7P | H7P | H7PA | 120.4° | 120.0° |
| C8A | N9A | C1B | H1B | 175.2° | 142.0° |
| N8P | C9P | O9P | CAP | 175.4° | 179.9° |
| N8P | C9P | CAP | OAP | 26.3° | 11.7° |
| N8P | C9P | CAP | CBP | 100.1° | 108.2° |
| C9P | N8P | C7P | H7P | 85.5° | 60.0° |
| C9P | N8P | C7P | H7PA | 34.5° | 60.0° |
| N8P | C9P | CAP | HAP | 146.0° | 131.7° |
| O9P | C9P | CAP | OAP | 149.6° | 168.2° |
| O9P | C9P | CAP | CBP | 84.1° | 71.8° |
| O9P | C9P | N8P | HN8P | 175.2° | 174.8° |
| O9P | C9P | CAP | HAP | 29.8° | 48.2° |
| C9P | CAP | OAP | CBP | 130.4° | 120.0° |
| C9P | CAP | OAP | HAP | 114.7° | 120.1° |
| C9P | CAP | CBP | HAP | 113.6° | 120.0° |
| C9P | CAP | CBP | CCP | 131.1° | 174.0° |
| C9P | CAP | CBP | CDP | 13.1° | 66.0° |
| C9P | CAP | CBP | CEP | 107.0° | 54.0° |
| CAP | C9P | N8P | HN8P | 0.5° | 5.1° |
| C9P | CAP | OAP | HOAP | 145.0° | 60.0° |
| OAP | CAP | CBP | HAP | 119.8° | 120.0° |
| OAP | CAP | CBP | CCP | 102.3° | 54.1° |
| OAP | CAP | CBP | CDP | 139.6° | 174.0° |
| OAP | CAP | CBP | CEP | 19.5° | 66.0° |
| CAP | CBP | CCP | CDP | 123.2° | 119.9° |
| CAP | CBP | CCP | CEP | 120.8° | 120.0° |
| CAP | CBP | CDP | CEP | 123.0° | 120.0° |
| CBP | CAP | OAP | HOAP | 84.7° | 60.0° |
| CAP | CBP | CCP | HCP | 116.5° | 60.0° |
| CAP | CBP | CCP | HCPA | 3.5° | 60.0° |
| CAP | CBP | CDP | HDP | 180.0° | 64.4° |
| 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° | 59.9° |
| CCP | CBP | CDP | CEP | 120.5° | 120.1° |
| CCP | CBP | CAP | HAP | 17.5° | 65.9° |
| CBP | CCP | HCP | HCPA | 117.4° | 120.0° |
| CCP | CBP | CDP | HDP | 63.5° | 175.6° |
| CCP | CBP | CDP | HDPA | 56.5° | 55.7° |
| CCP | CBP | CDP | HDPB | 176.5° | 64.3° |
| CCP | CBP | CEP | HEP | 62.8° | 60.0° |
| CCP | CBP | CEP | HEPA | 177.2° | 60.0° |
| CCP | CBP | CEP | HEPB | 57.2° | 179.9° |
| CDP | CBP | CAP | HAP | 100.5° | 54.0° |
| CDP | CBP | CCP | HCP | 6.7° | 59.9° |
| CDP | CBP | CCP | HCPA | 126.7° | 180.0° |
| CBP | CDP | HDP | HDPA | 120.0° | 120.0° |
| CBP | CDP | HDP | HDPB | 120.0° | 120.1° |
| CBP | CDP | HDPA | HDPB | 120.0° | 120.0° |
| CDP | CBP | CEP | HEP | 54.3° | 179.9° |
| CDP | CBP | CEP | HEPA | 65.7° | 60.1° |
| CDP | CBP | CEP | HEPB | 174.3° | 60.0° |
| CEP | CBP | CAP | HAP | 139.4° | 174.1° |
| CEP | CBP | CCP | HCP | 122.7° | 180.0° |
| CEP | CBP | CCP | HCPA | 117.4° | 60.0° |
| CEP | CBP | CDP | HDP | 57.0° | 55.6° |
| CEP | CBP | CDP | HDPA | 177.0° | 64.4° |
| CEP | CBP | CDP | HDPB | 63.0° | 175.6° |
| CBP | CEP | HEP | HEPA | 120.0° | 120.0° |
| CBP | CEP | HEP | HEPB | 120.0° | 120.0° |
| CBP | CEP | HEPA | HEPB | 120.0° | 120.1° |
| H2 | C2 | C3 | H3 | 175.8° | 180.0° |
| H3 | C3 | C4 | H4 | 74.1° | 65.0° |
| H3 | C3 | C4 | H4A | 165.8° | 175.0° |
| H4 | C4 | C5 | H5 | 87.1° | 180.0° |
| H4 | C4 | C5 | H5A | 32.9° | 59.9° |
| H4A | C4 | C5 | H5 | 152.9° | 59.9° |
| H4A | C4 | C5 | H5A | 87.1° | NaN° |
| H5 | C5 | C6 | H6 | 60.0° | 180.0° |
| H5 | C5 | C6 | H6A | 180.0° | 60.0° |
| H5 | C5 | C6 | H6B | 60.0° | 60.0° |
| H5A | C5 | C6 | H6 | 60.0° | 60.0° |
| H5A | C5 | C6 | H6A | 60.0° | 180.0° |
| H5A | C5 | C6 | H6B | 180.0° | 60.0° |
| H6 | C6 | H6A | H6B | 120.0° | 120.0° |
| H1B | C1B | C2B | H2B | 158.5° | 160.3° |
| H2B | C2B | O2B | HO2B | 54.0° | 62.1° |
| H2B | C2B | C3B | H3B | 39.6° | 21.5° |
| H2P | C2P | C3P | H3P | 149.3° | 180.0° |
| H2P | C2P | C3P | H3PA | 29.3° | 60.0° |
| H2PA | C2P | C3P | H3P | 90.7° | 60.0° |
| H2PA | C2P | C3P | H3PA | 149.3° | 180.0° |
| H3B | C3B | C4B | H4B | 98.8° | 123.8° |
| H3P | C3P | N4P | HN4P | 151.7° | 119.9° |
| H3PA | C3P | N4P | HN4P | 31.6° | 120.1° |
| H4B | C4B | C5B | H5B | 51.2° | 66.0° |
| H4B | C4B | C5B | H5BA | 68.9° | 173.9° |
| H6P | C6P | C7P | H7P | 176.6° | 180.0° |
| H6P | C6P | C7P | H7PA | 63.3° | 59.9° |
| H6PA | C6P | C7P | H7P | 56.6° | 60.0° |
| H6PA | C6P | C7P | H7PA | 176.6° | NaN° |
| H7P | C7P | N8P | HN8P | 94.5° | 120.0° |
| H7PA | C7P | N8P | HN8P | 145.5° | 120.0° |
| HAP | CAP | OAP | HOAP | 30.3° | 180.0° |
| HDP | CDP | HDPA | HDPB | 120.0° | 120.0° |
| HEP | CEP | HEPA | HEPB | 120.0° | 119.9° |
