HFQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1B | CB | sing | 1.51Å | 1.51Å | |
| CB | S1P | sing | 1.81Å | 1.76Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| N1A | C6A | doub | 1.33Å | 1.42Å | Aromatic |
| N1A | C2A | sing | 1.32Å | 1.39Å | Aromatic |
| O1A | P1A | doub | 1.48Å | 1.63Å | |
| O3A | P1A | sing | 1.61Å | 1.66Å | |
| O5D | P1A | sing | 1.61Å | 1.66Å | |
| P1A | O2A | sing | 1.61Å | 1.46Å | |
| C2B | C1B | sing | 1.47Å | 1.53Å | |
| C1B | O1B | doub | 1.21Å | 1.17Å | |
| N9A | C1D | sing | 1.46Å | 1.46Å | |
| C1D | O4D | sing | 1.44Å | 1.43Å | |
| C1D | C2D | sing | 1.55Å | 1.51Å | |
| C1D | H1D | sing | 1.09Å | 1.10Å | |
| S1P | C2P | sing | 1.81Å | 1.82Å | |
| C2A | N3A | doub | 1.32Å | 1.45Å | Aromatic |
| C2A | H2A | sing | 1.08Å | 1.08Å | |
| O2A | HO2A | sing | 0.97Å | 0.95Å | |
| O6A | P2A | sing | 1.61Å | 1.65Å | |
| O4A | P2A | doub | 1.48Å | 1.63Å | |
| O5A | P2A | sing | 1.61Å | 1.47Å | |
| P2A | O3A | sing | 1.61Å | 1.66Å | |
| C7B | C2B | doub | 1.41Å | 1.51Å | Aromatic |
| C3B | C2B | sing | 1.40Å | 1.39Å | Aromatic |
| O2B | C5B | sing | 1.36Å | 1.41Å | |
| O2B | HO2B | sing | 0.97Å | 0.95Å | |
| C2D | O2D | sing | 1.43Å | 1.42Å | |
| C2D | C3D | sing | 1.55Å | 1.50Å | |
| C2D | H2D | sing | 1.09Å | 1.10Å | |
| O2D | HO2D | sing | 0.97Å | 0.95Å | |
| C2P | C3P | sing | 1.53Å | 1.55Å | |
| C2P | H2P | sing | 1.09Å | 1.10Å | |
| C2P | H2PA | sing | 1.09Å | 1.10Å | |
| N3A | C4A | sing | 1.33Å | 1.39Å | Aromatic |
| C4B | C3B | doub | 1.36Å | 1.45Å | Aromatic |
| C3B | H3B | sing | 1.08Å | 1.08Å | |
| C7B | O3B | sing | 1.36Å | 1.40Å | |
| O3B | HO3B | sing | 0.97Å | 0.95Å | |
| C4D | C3D | sing | 1.54Å | 1.58Å | |
| C3D | O3D | sing | 1.43Å | 1.40Å | |
| C3D | H3D | sing | 1.09Å | 1.10Å | |
| O3D | P3D | sing | 1.61Å | 1.64Å | |
| O7A | P3D | doub | 1.48Å | 1.65Å | |
| P3D | O9A | sing | 1.61Å | 1.47Å | |
| P3D | O8A | sing | 1.61Å | 1.64Å | |
| C3P | N4P | sing | 1.47Å | 1.47Å | |
| C3P | H3P | sing | 1.09Å | 1.10Å | |
| C3P | H3PA | sing | 1.09Å | 1.10Å | |
| C5A | C4A | doub | 1.40Å | 1.41Å | Aromatic |
| C4A | N9A | sing | 1.37Å | 1.39Å | Aromatic |
| C5B | C4B | sing | 1.39Å | 1.45Å | Aromatic |
| C4B | H4B | sing | 1.08Å | 1.08Å | |
| O4D | C4D | sing | 1.44Å | 1.46Å | |
| C4D | C5D | sing | 1.53Å | 1.55Å | |
| C4D | H4D | sing | 1.09Å | 1.10Å | |
| N4P | C5P | sing | 1.35Å | 1.48Å | |
| N4P | HN4P | sing | 0.97Å | 1.00Å | |
| C6A | C5A | sing | 1.41Å | 1.42Å | Aromatic |
| C5A | N7A | sing | 1.35Å | 1.41Å | Aromatic |
| O5A | HO5A | sing | 0.97Å | 0.95Å | |
| C5B | C6B | doub | 1.39Å | 1.43Å | Aromatic |
| O5D | C5D | sing | 1.43Å | 1.40Å | |
| C5D | H5D | sing | 1.09Å | 1.10Å | |
| C5D | H5DA | sing | 1.09Å | 1.10Å | |
| C5P | C6P | sing | 1.51Å | 1.53Å | |
| C5P | O5P | doub | 1.21Å | 1.21Å | |
| N6A | C6A | sing | 1.38Å | 1.46Å | |
| N6A | HN6A | sing | 0.97Å | 1.00Å | |
| N6A | HN6B | sing | 0.97Å | 1.00Å | |
| CCP | O6A | sing | 1.43Å | 1.40Å | |
| C6B | C7B | sing | 1.38Å | 1.42Å | Aromatic |
| C6B | H6B | sing | 1.08Å | 1.08Å | |
| C6P | C7P | sing | 1.53Å | 1.54Å | |
| C6P | H6P | sing | 1.09Å | 1.10Å | |
| C6P | H6PA | sing | 1.09Å | 1.10Å | |
| N7A | C8A | doub | 1.30Å | 1.40Å | Aromatic |
| C7P | N8P | sing | 1.46Å | 1.46Å | |
| C7P | H7P | sing | 1.09Å | 1.10Å | |
| C7P | H7PA | sing | 1.09Å | 1.10Å | |
| C8A | N9A | sing | 1.36Å | 1.42Å | Aromatic |
| C8A | H8A | sing | 1.08Å | 1.08Å | |
| O8A | HO8A | sing | 0.97Å | 0.95Å | |
| N8P | C9P | sing | 1.35Å | 1.44Å | |
| N8P | HN8P | sing | 0.97Å | 1.00Å | |
| O9A | HO9A | sing | 0.97Å | 0.95Å | |
| O9P | C9P | doub | 1.21Å | 1.20Å | |
| C9P | CAP | sing | 1.51Å | 1.55Å | |
| CBP | CAP | sing | 1.53Å | 1.56Å | |
| CAP | OAP | sing | 1.43Å | 1.42Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| OAP | HOAP | sing | 0.97Å | 0.95Å | |
| CEP | CBP | sing | 1.53Å | 1.56Å | |
| CDP | CBP | sing | 1.53Å | 1.55Å | |
| CBP | CCP | sing | 1.53Å | 1.54Å | |
| 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) |
| C1B | CB | S1P | 125.6° | 109.4° |
| C1B | CB | HB | 104.4° | 109.5° |
| C1B | CB | HBA | 104.4° | 109.4° |
| CB | C1B | C2B | 117.6° | 120.0° |
| CB | C1B | O1B | 119.6° | 120.0° |
| S1P | CB | HB | 104.4° | 109.5° |
| S1P | CB | HBA | 104.4° | 109.5° |
| CB | S1P | C2P | 102.7° | 103.0° |
| HB | CB | HBA | 114.0° | 109.5° |
| C6A | N1A | C2A | 120.4° | 121.2° |
| N1A | C6A | C5A | 120.0° | 118.4° |
| N1A | C6A | N6A | 120.8° | 120.8° |
| N1A | C2A | N3A | 119.4° | 122.5° |
| N1A | C2A | H2A | 120.3° | 118.8° |
| O1A | P1A | O3A | 111.4° | 109.5° |
| O1A | P1A | O5D | 108.7° | 109.4° |
| O1A | P1A | O2A | 114.2° | 109.5° |
| O3A | P1A | O5D | 106.4° | 109.5° |
| O3A | P1A | O2A | 108.4° | 109.5° |
| P1A | O3A | P2A | 121.4° | 134.0° |
| O5D | P1A | O2A | 107.5° | 109.5° |
| P1A | O5D | C5D | 116.2° | 123.0° |
| P1A | O2A | HO2A | 109.5° | 114.0° |
| C2B | C1B | O1B | 122.9° | 120.0° |
| C1B | C2B | C7B | 121.7° | 120.2° |
| C1B | C2B | C3B | 117.3° | 120.1° |
| N9A | C1D | O4D | 110.6° | 110.4° |
| N9A | C1D | C2D | 109.9° | 110.4° |
| N9A | C1D | H1D | 108.2° | 110.4° |
| C1D | N9A | C4A | 121.2° | 126.3° |
| C1D | N9A | C8A | 128.7° | 126.3° |
| O4D | C1D | C2D | 108.8° | 104.8° |
| O4D | C1D | H1D | 109.3° | 110.4° |
| C1D | O4D | C4D | 106.5° | 105.3° |
| C2D | C1D | H1D | 110.1° | 110.4° |
| C1D | C2D | O2D | 118.0° | 110.5° |
| C1D | C2D | C3D | 95.2° | 104.0° |
| C1D | C2D | H2D | 116.4° | 110.5° |
| S1P | C2P | C3P | 111.7° | 109.5° |
| S1P | C2P | H2P | 108.8° | 109.5° |
| S1P | C2P | H2PA | 108.8° | 109.5° |
| N3A | C2A | H2A | 120.3° | 118.8° |
| C2A | N3A | C4A | 119.4° | 120.6° |
| O6A | P2A | O4A | 113.9° | 109.5° |
| O6A | P2A | O5A | 108.1° | 109.5° |
| O6A | P2A | O3A | 101.3° | 109.5° |
| P2A | O6A | CCP | 121.7° | 123.0° |
| O4A | P2A | O5A | 111.0° | 109.5° |
| O4A | P2A | O3A | 106.7° | 109.4° |
| O5A | P2A | O3A | 115.6° | 109.5° |
| P2A | O5A | HO5A | 109.5° | 114.0° |
| C7B | C2B | C3B | 121.0° | 119.7° |
| C2B | C7B | O3B | 122.9° | 120.2° |
| C2B | C7B | C6B | 119.4° | 119.6° |
| C2B | C3B | C4B | 119.1° | 120.0° |
| C2B | C3B | H3B | 120.4° | 120.0° |
| C5B | O2B | HO2B | 109.5° | 114.0° |
| O2B | C5B | C4B | 118.1° | 119.8° |
| O2B | C5B | C6B | 120.4° | 119.8° |
| O2D | C2D | C3D | 116.9° | 110.5° |
| O2D | C2D | H2D | 94.6° | 110.5° |
| C2D | O2D | HO2D | 109.5° | 114.0° |
| C3D | C2D | H2D | 117.6° | 110.7° |
| C2D | C3D | C4D | 102.4° | 104.1° |
| C2D | C3D | O3D | 111.8° | 110.5° |
| C2D | C3D | H3D | 115.7° | 110.5° |
| C3P | C2P | H2P | 108.7° | 109.5° |
| C3P | C2P | H2PA | 108.7° | 109.4° |
| C2P | C3P | N4P | 116.4° | 109.5° |
| C2P | C3P | H3P | 107.2° | 109.5° |
| C2P | C3P | H3PA | 107.2° | 109.4° |
| H2P | C2P | H2PA | 110.2° | 109.5° |
| N3A | C4A | C5A | 121.7° | 119.0° |
| N3A | C4A | N9A | 131.5° | 134.9° |
| C4B | C3B | H3B | 120.5° | 119.9° |
| C3B | C4B | C5B | 120.1° | 120.4° |
| C3B | C4B | H4B | 119.9° | 119.8° |
| C7B | O3B | HO3B | 109.5° | 114.0° |
| O3B | C7B | C6B | 117.4° | 120.2° |
| C4D | C3D | O3D | 117.1° | 110.5° |
| C4D | C3D | H3D | 110.1° | 110.6° |
| C3D | C4D | O4D | 102.8° | 104.8° |
| C3D | C4D | C5D | 114.4° | 110.4° |
| C3D | C4D | H4D | 112.3° | 110.3° |
| O3D | C3D | H3D | 100.4° | 110.4° |
| C3D | O3D | P3D | 117.5° | 123.0° |
| O3D | P3D | O7A | 110.9° | 109.5° |
| O3D | P3D | O9A | 103.9° | 109.5° |
| O3D | P3D | O8A | 109.4° | 109.5° |
| O7A | P3D | O9A | 111.0° | 109.5° |
| O7A | P3D | O8A | 110.7° | 109.5° |
| O9A | P3D | O8A | 110.7° | 109.5° |
| P3D | O9A | HO9A | 109.5° | 114.0° |
| P3D | O8A | HO8A | 109.5° | 114.0° |
| N4P | C3P | H3P | 107.3° | 109.5° |
| N4P | C3P | H3PA | 107.2° | 109.5° |
| C3P | N4P | C5P | 120.5° | 120.0° |
| C3P | N4P | HN4P | 119.7° | 120.0° |
| H3P | C3P | H3PA | 111.6° | 109.4° |
| C5A | C4A | N9A | 106.8° | 106.0° |
| C4A | C5A | C6A | 119.0° | 118.2° |
| C4A | C5A | N7A | 108.5° | 107.1° |
| C4A | N9A | C8A | 110.1° | 107.5° |
| C5B | C4B | H4B | 120.0° | 119.8° |
| C4B | C5B | C6B | 121.5° | 120.3° |
| O4D | C4D | C5D | 113.6° | 110.4° |
| O4D | C4D | H4D | 113.0° | 110.4° |
| C5D | C4D | H4D | 101.1° | 110.4° |
| C4D | C5D | O5D | 108.4° | 109.5° |
| C4D | C5D | H5D | 109.8° | 109.5° |
| C4D | C5D | H5DA | 109.8° | 109.5° |
| C5P | N4P | HN4P | 119.8° | 120.0° |
| N4P | C5P | C6P | 117.0° | 120.0° |
| N4P | C5P | O5P | 123.3° | 120.0° |
| C6A | C5A | N7A | 132.5° | 134.7° |
| C5A | C6A | N6A | 119.2° | 120.8° |
| C5A | N7A | C8A | 108.5° | 109.5° |
| C5B | C6B | C7B | 118.9° | 119.9° |
| C5B | C6B | H6B | 120.6° | 120.0° |
| O5D | C5D | H5D | 109.8° | 109.4° |
| O5D | C5D | H5DA | 109.8° | 109.4° |
| H5D | C5D | H5DA | 109.1° | 109.5° |
| C6P | C5P | O5P | 119.6° | 120.0° |
| C5P | C6P | C7P | 108.5° | 109.5° |
| C5P | C6P | H6P | 109.8° | 109.4° |
| C5P | C6P | H6PA | 109.8° | 109.5° |
| C6A | N6A | HN6A | 109.5° | 120.0° |
| C6A | N6A | HN6B | 109.4° | 120.1° |
| HN6A | N6A | HN6B | 109.5° | 120.0° |
| O6A | CCP | CBP | 106.1° | 109.5° |
| O6A | CCP | HCP | 110.6° | 109.5° |
| O6A | CCP | HCPA | 110.6° | 109.5° |
| C7B | C6B | H6B | 120.6° | 120.1° |
| C7P | C6P | H6P | 109.8° | 109.4° |
| C7P | C6P | H6PA | 109.8° | 109.5° |
| C6P | C7P | N8P | 112.9° | 109.4° |
| C6P | C7P | H7P | 108.3° | 109.4° |
| C6P | C7P | H7PA | 108.4° | 109.5° |
| H6P | C6P | H6PA | 109.2° | 109.4° |
| N7A | C8A | N9A | 106.2° | 109.9° |
| N7A | C8A | H8A | 126.9° | 125.1° |
| N8P | C7P | H7P | 108.3° | 109.5° |
| N8P | C7P | H7PA | 108.3° | 109.5° |
| C7P | N8P | C9P | 116.6° | 119.9° |
| C7P | N8P | HN8P | 121.7° | 120.0° |
| H7P | C7P | H7PA | 110.6° | 109.5° |
| N9A | C8A | H8A | 126.9° | 125.0° |
| C9P | N8P | HN8P | 121.7° | 120.0° |
| N8P | C9P | O9P | 120.7° | 120.1° |
| N8P | C9P | CAP | 115.3° | 120.0° |
| O9P | C9P | CAP | 123.8° | 120.0° |
| C9P | CAP | CBP | 110.2° | 109.5° |
| C9P | CAP | OAP | 110.2° | 109.5° |
| C9P | CAP | HAP | 109.8° | 109.5° |
| CBP | CAP | OAP | 113.2° | 109.4° |
| CBP | CAP | HAP | 106.6° | 109.5° |
| CAP | CBP | CEP | 112.9° | 109.5° |
| CAP | CBP | CDP | 108.2° | 109.5° |
| CAP | CBP | CCP | 105.3° | 109.5° |
| OAP | CAP | HAP | 106.6° | 109.5° |
| CAP | OAP | HOAP | 109.5° | 114.0° |
| CEP | CBP | CDP | 112.9° | 109.5° |
| CEP | CBP | CCP | 107.9° | 109.5° |
| CBP | CEP | HEP | 109.5° | 109.5° |
| CBP | CEP | HEPA | 109.5° | 109.4° |
| CBP | CEP | HEPB | 109.5° | 109.5° |
| CDP | CBP | CCP | 109.3° | 109.5° |
| CBP | CDP | HDP | 109.5° | 109.5° |
| CBP | CDP | HDPA | 109.5° | 109.5° |
| CBP | CDP | HDPB | 109.5° | 109.5° |
| CBP | CCP | HCP | 110.6° | 109.5° |
| CBP | CCP | HCPA | 110.6° | 109.4° |
| HCP | CCP | HCPA | 108.3° | 109.4° |
| HDP | CDP | HDPA | 109.5° | 109.4° |
| HDP | CDP | HDPB | 109.5° | 109.5° |
| HDPA | CDP | HDPB | 109.5° | 109.5° |
| HEP | CEP | HEPA | 109.4° | 109.5° |
| HEP | CEP | HEPB | 109.5° | 109.5° |
| HEPA | CEP | HEPB | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1B | CB | S1P | HB | 120.0° | 120.0° |
| C1B | CB | S1P | HBA | 120.0° | 119.9° |
| C1B | CB | HB | HBA | 113.3° | 120.0° |
| CB | C1B | C2B | O1B | 178.2° | 179.9° |
| C1B | CB | S1P | C2P | 60.2° | 180.0° |
| CB | C1B | C2B | C7B | 6.7° | 179.7° |
| CB | C1B | C2B | C3B | 173.6° | 0.0° |
| S1P | CB | HB | HBA | 113.4° | 120.0° |
| S1P | CB | C1B | C2B | 95.7° | 180.0° |
| S1P | CB | C1B | O1B | 86.1° | 0.1° |
| CB | S1P | C2P | C3P | 79.4° | 180.0° |
| CB | S1P | C2P | H2P | 40.6° | 60.0° |
| CB | S1P | C2P | H2PA | 160.6° | 60.0° |
| HB | CB | C1B | C2B | 24.3° | 60.0° |
| HB | CB | C1B | O1B | 153.9° | 120.0° |
| HB | CB | S1P | C2P | 179.8° | 60.0° |
| HBA | CB | C1B | C2B | 144.3° | 60.0° |
| HBA | CB | C1B | O1B | 33.9° | 120.0° |
| HBA | CB | S1P | C2P | 59.8° | 60.0° |
| C6A | N1A | C2A | N3A | 0.1° | 0.0° |
| C6A | N1A | C2A | H2A | 179.9° | 179.9° |
| N1A | C6A | C5A | C4A | 0.1° | 0.0° |
| N1A | C6A | C5A | N6A | 179.6° | 179.9° |
| N1A | C6A | C5A | N7A | 179.3° | 180.0° |
| N1A | C6A | N6A | HN6A | 0.0° | 0.0° |
| N1A | C6A | N6A | HN6B | 120.0° | 180.0° |
| N1A | C2A | N3A | H2A | 180.0° | 179.9° |
| N1A | C2A | N3A | C4A | 0.0° | 0.0° |
| C2A | N1A | C6A | C5A | 0.1° | 0.0° |
| C2A | N1A | C6A | N6A | 179.4° | 180.0° |
| O1A | P1A | O3A | O5D | 118.3° | 120.0° |
| O1A | P1A | O3A | O2A | 126.4° | 120.0° |
| O1A | P1A | O5D | O2A | 124.0° | 120.0° |
| O1A | P1A | O2A | HO2A | 0.0° | 180.0° |
| O1A | P1A | O3A | P2A | 42.5° | 40.0° |
| O1A | P1A | O5D | C5D | 158.8° | 55.0° |
| O3A | P1A | O5D | O2A | 115.9° | 120.0° |
| O3A | P1A | O2A | HO2A | 124.8° | 60.0° |
| P1A | O3A | P2A | O6A | 93.9° | 160.0° |
| P1A | O3A | P2A | O4A | 146.8° | 40.0° |
| P1A | O3A | P2A | O5A | 22.7° | 80.0° |
| O3A | P1A | O5D | C5D | 81.1° | 175.0° |
| O5D | P1A | O2A | HO2A | 120.7° | 60.0° |
| O5D | P1A | O3A | P2A | 75.8° | 160.0° |
| P1A | O5D | C5D | C4D | 165.7° | 180.0° |
| P1A | O5D | C5D | H5D | 74.3° | 60.0° |
| P1A | O5D | C5D | H5DA | 45.7° | 60.0° |
| O2A | P1A | O3A | P2A | 168.9° | 80.0° |
| O2A | P1A | O5D | C5D | 34.8° | 65.0° |
| C1B | C2B | C7B | C3B | 179.6° | 179.7° |
| C1B | C2B | C3B | C4B | 179.3° | 180.0° |
| C1B | C2B | C3B | H3B | 0.7° | 0.0° |
| C1B | C2B | C7B | O3B | 7.4° | 0.2° |
| C1B | C2B | C7B | C6B | 179.4° | 179.7° |
| O1B | C1B | C2B | C7B | 175.1° | 0.2° |
| O1B | C1B | C2B | C3B | 4.6° | 180.0° |
| N9A | C1D | O4D | C2D | 120.7° | 118.9° |
| N9A | C1D | O4D | H1D | 119.1° | 122.3° |
| N9A | C1D | C2D | H1D | 119.1° | 122.3° |
| N9A | C1D | C2D | O2D | 69.5° | 98.5° |
| N9A | C1D | C2D | C3D | 166.2° | 142.8° |
| N9A | C1D | C2D | H2D | 41.9° | 24.1° |
| C1D | N9A | C4A | N3A | 2.5° | 0.1° |
| C1D | N9A | C4A | C5A | 177.6° | 180.0° |
| C1D | N9A | C4A | C8A | 177.6° | 179.9° |
| N9A | C1D | O4D | C4D | 145.2° | 159.4° |
| C1D | N9A | C8A | N7A | 177.8° | 180.0° |
| C1D | N9A | C8A | H8A | 2.2° | 0.0° |
| O4D | C1D | C2D | H1D | 119.7° | 118.8° |
| O4D | C1D | C2D | O2D | 169.2° | 142.6° |
| O4D | C1D | C2D | C3D | 45.0° | 24.0° |
| O4D | C1D | C2D | H2D | 79.4° | 94.8° |
| C1D | O4D | C4D | C3D | 6.6° | 40.5° |
| O4D | C1D | N9A | C4A | 96.7° | 156.5° |
| C1D | O4D | C4D | C5D | 117.6° | 159.3° |
| C1D | O4D | C4D | H4D | 127.8° | 78.3° |
| O4D | C1D | N9A | C8A | 86.2° | 23.6° |
| C1D | C2D | O2D | C3D | 112.6° | 114.6° |
| C1D | C2D | O2D | H2D | 123.2° | 122.6° |
| C1D | C2D | C3D | H2D | 123.5° | 118.7° |
| C1D | C2D | O2D | HO2D | 180.0° | 61.4° |
| C1D | C2D | C3D | C4D | 46.1° | 0.0° |
| C1D | C2D | C3D | O3D | 80.1° | 118.7° |
| C1D | C2D | C3D | H3D | 165.8° | 118.8° |
| C2D | C1D | N9A | C4A | 143.2° | 88.1° |
| C2D | C1D | O4D | C4D | 24.4° | 40.5° |
| C2D | C1D | N9A | C8A | 33.9° | 91.8° |
| H1D | C1D | C2D | O2D | 49.5° | 23.8° |
| H1D | C1D | C2D | C3D | 74.7° | 94.9° |
| H1D | C1D | C2D | H2D | 160.9° | 146.4° |
| H1D | C1D | N9A | C4A | 23.0° | 34.2° |
| H1D | C1D | O4D | C4D | 95.8° | 78.3° |
| H1D | C1D | N9A | C8A | 154.1° | 145.9° |
| S1P | C2P | C3P | H2P | 120.0° | 120.1° |
| S1P | C2P | C3P | H2PA | 120.0° | 120.0° |
| S1P | C2P | H2P | H2PA | 119.1° | 120.0° |
| S1P | C2P | C3P | N4P | 55.0° | 180.0° |
| S1P | C2P | C3P | H3P | 65.1° | 60.0° |
| S1P | C2P | C3P | H3PA | 174.9° | 60.0° |
| C2A | N3A | C4A | C5A | 0.0° | 0.0° |
| C2A | N3A | C4A | N9A | 180.0° | 180.0° |
| H2A | C2A | N3A | C4A | 179.9° | 179.9° |
| O6A | P2A | O4A | O5A | 122.3° | 120.0° |
| O6A | P2A | O4A | O3A | 110.9° | 120.0° |
| O6A | P2A | O5A | O3A | 112.6° | 120.0° |
| O6A | P2A | O5A | HO5A | 125.6° | 59.9° |
| P2A | O6A | CCP | CBP | 165.4° | 180.0° |
| P2A | O6A | CCP | HCP | 45.5° | 60.0° |
| P2A | O6A | CCP | HCPA | 74.6° | 60.0° |
| O4A | P2A | O5A | O3A | 121.8° | 120.0° |
| O4A | P2A | O5A | HO5A | 0.0° | 179.9° |
| O4A | P2A | O6A | CCP | 22.8° | 55.0° |
| O5A | P2A | O6A | CCP | 101.1° | 65.0° |
| O3A | P2A | O5A | HO5A | 121.8° | 60.1° |
| O3A | P2A | O6A | CCP | 136.9° | 175.0° |
| C7B | C2B | C3B | C4B | 0.3° | 0.3° |
| C7B | C2B | C3B | H3B | 179.6° | 179.8° |
| C2B | C7B | O3B | C6B | 173.3° | 179.4° |
| C2B | C7B | O3B | HO3B | 180.0° | 90.6° |
| C2B | C7B | C6B | C5B | 1.6° | 0.6° |
| C2B | C7B | C6B | H6B | 178.5° | 179.8° |
| C2B | C3B | C4B | H3B | 180.0° | 179.9° |
| C3B | C2B | C7B | O3B | 172.2° | 180.0° |
| C2B | C3B | C4B | C5B | 1.0° | 0.0° |
| C2B | C3B | C4B | H4B | 179.0° | 180.0° |
| C3B | C2B | C7B | C6B | 1.0° | 0.6° |
| O2B | C5B | C4B | C3B | 177.1° | 179.9° |
| O2B | C5B | C4B | C6B | 177.5° | 179.9° |
| O2B | C5B | C4B | H4B | 2.9° | 0.1° |
| O2B | C5B | C6B | C7B | 178.4° | 179.8° |
| O2B | C5B | C6B | H6B | 1.6° | 0.2° |
| HO2B | O2B | C5B | C4B | 180.0° | 90.1° |
| HO2B | O2B | C5B | C6B | 2.5° | 90.1° |
| O2D | C2D | C3D | H2D | 111.4° | 122.7° |
| O2D | C2D | C3D | C4D | 171.2° | 118.6° |
| O2D | C2D | C3D | O3D | 45.0° | 0.1° |
| O2D | C2D | C3D | H3D | 69.1° | 122.6° |
| C3D | C2D | O2D | HO2D | 67.3° | 176.0° |
| C2D | C3D | C4D | O3D | 122.6° | 118.7° |
| C2D | C3D | C4D | H3D | 123.5° | 118.7° |
| C2D | C3D | O3D | H3D | 123.2° | 122.5° |
| C2D | C3D | O3D | P3D | 102.7° | 121.4° |
| C2D | C3D | C4D | O4D | 35.0° | 23.9° |
| C2D | C3D | C4D | C5D | 88.7° | 142.8° |
| C2D | C3D | C4D | H4D | 156.7° | 95.0° |
| H2D | C2D | O2D | HO2D | 56.8° | 61.1° |
| H2D | C2D | C3D | C4D | 77.4° | 118.6° |
| H2D | C2D | C3D | O3D | 156.4° | 122.7° |
| H2D | C2D | C3D | H3D | 42.3° | 0.1° |
| C3P | C2P | H2P | H2PA | 119.1° | 119.9° |
| C2P | C3P | N4P | H3P | 120.0° | 120.1° |
| C2P | C3P | N4P | H3PA | 120.0° | 120.0° |
| C2P | C3P | H3P | H3PA | 117.2° | 120.0° |
| C2P | C3P | N4P | C5P | 63.0° | 179.9° |
| C2P | C3P | N4P | HN4P | 117.0° | 0.0° |
| H2P | C2P | C3P | N4P | 175.0° | 59.9° |
| H2P | C2P | C3P | H3P | 54.9° | 180.0° |
| H2P | C2P | C3P | H3PA | 65.0° | 60.0° |
| H2PA | C2P | C3P | N4P | 65.0° | 60.0° |
| H2PA | C2P | C3P | H3P | 174.9° | 60.0° |
| H2PA | C2P | C3P | H3PA | 54.9° | 180.0° |
| N3A | C4A | C5A | N9A | 180.0° | 180.0° |
| N3A | C4A | C5A | C6A | 0.0° | 0.0° |
| N3A | C4A | C5A | N7A | 179.5° | 180.0° |
| N3A | C4A | N9A | C8A | 179.9° | 180.0° |
| C3B | C4B | C5B | H4B | 180.0° | 179.9° |
| C3B | C4B | C5B | C6B | 0.4° | 0.1° |
| H3B | C3B | C4B | C5B | 179.0° | 180.0° |
| H3B | C3B | C4B | H4B | 1.1° | 0.1° |
| O3B | C7B | C6B | C5B | 172.0° | 180.0° |
| O3B | C7B | C6B | H6B | 8.0° | 0.3° |
| HO3B | O3B | C7B | C6B | 6.7° | 90.0° |
| C4D | C3D | O3D | H3D | 119.1° | 122.8° |
| C4D | C3D | O3D | P3D | 139.7° | 123.9° |
| C3D | C4D | O4D | C5D | 124.2° | 118.8° |
| C3D | C4D | O4D | H4D | 121.3° | 118.8° |
| C3D | C4D | C5D | H4D | 120.9° | 122.2° |
| C3D | C4D | C5D | O5D | 51.2° | 175.0° |
| C3D | C4D | C5D | H5D | 171.2° | 55.0° |
| C3D | C4D | C5D | H5DA | 68.8° | 65.1° |
| C3D | O3D | P3D | O7A | 89.8° | 55.0° |
| C3D | O3D | P3D | O9A | 150.8° | 175.0° |
| C3D | O3D | P3D | O8A | 32.5° | 65.0° |
| O3D | C3D | C4D | O4D | 87.7° | 142.6° |
| O3D | C3D | C4D | C5D | 148.6° | 98.5° |
| O3D | C3D | C4D | H4D | 34.1° | 23.7° |
| H3D | C3D | O3D | P3D | 20.5° | 1.1° |
| H3D | C3D | C4D | O4D | 158.5° | 94.7° |
| H3D | C3D | C4D | C5D | 34.8° | 24.2° |
| H3D | C3D | C4D | H4D | 79.7° | 146.4° |
| O3D | P3D | O7A | O9A | 114.9° | 120.0° |
| O3D | P3D | O7A | O8A | 121.6° | 120.0° |
| O3D | P3D | O9A | O8A | 117.4° | 120.0° |
| O3D | P3D | O8A | HO8A | 122.5° | 59.9° |
| O3D | P3D | O9A | HO9A | 119.2° | 180.0° |
| O7A | P3D | O9A | O8A | 123.4° | 120.0° |
| O7A | P3D | O8A | HO8A | 0.0° | 180.0° |
| O7A | P3D | O9A | HO9A | 0.0° | 60.0° |
| O9A | P3D | O8A | HO8A | 123.6° | 60.0° |
| O8A | P3D | O9A | HO9A | 123.4° | 60.0° |
| N4P | C3P | H3P | H3PA | 117.2° | 120.0° |
| C3P | N4P | C5P | HN4P | 180.0° | 180.0° |
| C3P | N4P | C5P | C6P | 175.0° | 179.9° |
| C3P | N4P | C5P | O5P | 4.0° | 0.0° |
| H3P | C3P | N4P | C5P | 177.0° | 60.0° |
| H3P | C3P | N4P | HN4P | 3.0° | 120.1° |
| H3PA | C3P | N4P | C5P | 57.0° | 60.0° |
| H3PA | C3P | N4P | HN4P | 123.0° | 120.0° |
| C4A | C5A | C6A | N7A | 179.4° | 179.9° |
| C4A | C5A | C6A | N6A | 179.5° | 180.0° |
| C4A | C5A | N7A | C8A | 0.7° | 0.0° |
| C5A | C4A | N9A | C8A | 0.0° | 0.0° |
| N9A | C4A | C5A | C6A | 180.0° | 179.9° |
| N9A | C4A | C5A | N7A | 0.5° | 0.0° |
| C4A | N9A | C8A | N7A | 0.4° | 0.0° |
| C4A | N9A | C8A | H8A | 179.6° | 180.0° |
| C4B | C5B | C6B | C7B | 0.9° | 0.4° |
| C4B | C5B | C6B | H6B | 179.1° | 180.0° |
| H4B | C4B | C5B | C6B | 179.6° | 180.0° |
| O4D | C4D | C5D | H4D | 121.4° | 122.4° |
| O4D | C4D | C5D | O5D | 66.5° | 69.6° |
| O4D | C4D | C5D | H5D | 53.5° | 170.4° |
| O4D | C4D | C5D | H5DA | 173.5° | 50.3° |
| C4D | C5D | O5D | H5D | 120.0° | 120.0° |
| C4D | C5D | O5D | H5DA | 120.0° | 120.0° |
| C4D | C5D | H5D | H5DA | 120.4° | 120.1° |
| H4D | C4D | C5D | O5D | 172.1° | 52.7° |
| H4D | C4D | C5D | H5D | 67.9° | 67.2° |
| H4D | C4D | C5D | H5DA | 52.1° | 172.7° |
| N4P | C5P | C6P | O5P | 179.1° | 179.9° |
| N4P | C5P | C6P | C7P | 128.3° | 180.0° |
| N4P | C5P | C6P | H6P | 111.7° | 60.1° |
| N4P | C5P | C6P | H6PA | 8.3° | 59.9° |
| HN4P | N4P | C5P | C6P | 5.0° | 0.1° |
| HN4P | N4P | C5P | O5P | 176.0° | 180.0° |
| C5A | C6A | N6A | HN6A | 179.6° | 180.0° |
| C5A | C6A | N6A | HN6B | 60.4° | 0.1° |
| C6A | C5A | N7A | C8A | 179.9° | 180.0° |
| N7A | C5A | C6A | N6A | 1.1° | 0.1° |
| C5A | N7A | C8A | N9A | 0.7° | 0.0° |
| C5A | N7A | C8A | H8A | 179.3° | 180.0° |
| C5B | C6B | C7B | H6B | 180.0° | 179.6° |
| O5D | C5D | H5D | H5DA | 120.4° | 119.9° |
| C5P | C6P | C7P | H6P | 120.0° | 119.9° |
| C5P | C6P | C7P | H6PA | 120.0° | 120.1° |
| C5P | C6P | H6P | H6PA | 120.4° | 120.0° |
| C5P | C6P | C7P | N8P | 166.6° | 180.0° |
| C5P | C6P | C7P | H7P | 46.6° | 60.1° |
| C5P | C6P | C7P | H7PA | 73.4° | 60.0° |
| O5P | C5P | C6P | C7P | 52.6° | 0.1° |
| O5P | C5P | C6P | H6P | 67.4° | 120.0° |
| O5P | C5P | C6P | H6PA | 172.6° | 120.0° |
| C6A | N6A | HN6A | HN6B | 120.0° | 179.9° |
| O6A | CCP | CBP | CAP | 54.8° | 180.0° |
| O6A | CCP | CBP | CEP | 175.5° | 60.0° |
| O6A | CCP | CBP | CDP | 61.3° | 60.0° |
| O6A | CCP | CBP | HCP | 120.0° | 120.1° |
| O6A | CCP | CBP | HCPA | 120.0° | 120.0° |
| O6A | CCP | HCP | HCPA | 121.4° | 120.0° |
| C7P | C6P | H6P | H6PA | 120.4° | 120.0° |
| C6P | C7P | N8P | H7P | 120.0° | 119.9° |
| C6P | C7P | N8P | H7PA | 120.0° | 120.0° |
| C6P | C7P | H7P | H7PA | 118.6° | 120.0° |
| C6P | C7P | N8P | C9P | 93.3° | 180.0° |
| C6P | C7P | N8P | HN8P | 86.7° | 0.1° |
| H6P | C6P | C7P | N8P | 73.5° | 60.0° |
| H6P | C6P | C7P | H7P | 166.5° | 180.0° |
| H6P | C6P | C7P | H7PA | 46.6° | 60.0° |
| H6PA | C6P | C7P | N8P | 46.6° | 59.9° |
| H6PA | C6P | C7P | H7P | 73.4° | 60.0° |
| H6PA | C6P | C7P | H7PA | 166.6° | 179.9° |
| N7A | C8A | N9A | H8A | 180.0° | 180.0° |
| N8P | C7P | H7P | H7PA | 118.6° | 120.1° |
| C7P | N8P | C9P | HN8P | 180.0° | 180.0° |
| C7P | N8P | C9P | O9P | 6.9° | 5.1° |
| C7P | N8P | C9P | CAP | 178.7° | 174.8° |
| H7P | C7P | N8P | C9P | 146.8° | 60.1° |
| H7P | C7P | N8P | HN8P | 33.3° | 120.0° |
| H7PA | C7P | N8P | C9P | 26.8° | 60.0° |
| H7PA | C7P | N8P | HN8P | 153.2° | 119.9° |
| N8P | C9P | O9P | CAP | 173.9° | 180.0° |
| N8P | C9P | CAP | CBP | 116.1° | 108.2° |
| N8P | C9P | CAP | OAP | 9.7° | 11.7° |
| N8P | C9P | CAP | HAP | 126.8° | 131.8° |
| HN8P | N8P | C9P | O9P | 173.1° | 174.9° |
| HN8P | N8P | C9P | CAP | 1.3° | 5.1° |
| O9P | C9P | CAP | CBP | 58.1° | 71.7° |
| O9P | C9P | CAP | OAP | 176.1° | 168.3° |
| O9P | C9P | CAP | HAP | 59.0° | 48.2° |
| C9P | CAP | CBP | OAP | 124.0° | 120.0° |
| C9P | CAP | CBP | HAP | 119.1° | 120.0° |
| C9P | CAP | OAP | HAP | 119.1° | 120.0° |
| C9P | CAP | OAP | HOAP | 180.0° | 60.0° |
| C9P | CAP | CBP | CEP | 53.5° | 54.1° |
| C9P | CAP | CBP | CDP | 72.2° | 66.0° |
| C9P | CAP | CBP | CCP | 170.9° | 174.1° |
| CBP | CAP | OAP | HAP | 116.9° | 120.0° |
| CBP | CAP | OAP | HOAP | 56.0° | 60.0° |
| CAP | CBP | CEP | CDP | 123.1° | 120.0° |
| CAP | CBP | CEP | CCP | 115.9° | 120.0° |
| CAP | CBP | CDP | CCP | 114.2° | 120.0° |
| CAP | CBP | CCP | HCP | 65.2° | 59.9° |
| CAP | CBP | CCP | HCPA | 174.8° | 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° | 60.0° |
| OAP | CAP | CBP | CEP | 70.5° | 65.9° |
| OAP | CAP | CBP | CDP | 163.8° | 174.0° |
| OAP | CAP | CBP | CCP | 46.9° | 54.1° |
| HAP | CAP | OAP | HOAP | 60.9° | 180.0° |
| HAP | CAP | CBP | CEP | 172.6° | 174.0° |
| HAP | CAP | CBP | CDP | 46.9° | 54.0° |
| HAP | CAP | CBP | CCP | 70.0° | 66.0° |
| CEP | CBP | CDP | CCP | 120.1° | 120.0° |
| CEP | CBP | CCP | HCP | 55.6° | 179.9° |
| CEP | CBP | CCP | HCPA | 64.5° | 60.0° |
| CEP | CBP | CDP | HDP | 54.3° | 55.6° |
| CEP | CBP | CDP | HDPA | 174.3° | 64.4° |
| CEP | CBP | CDP | HDPB | 65.7° | 175.6° |
| CBP | CEP | HEP | HEPA | 120.0° | 120.0° |
| CBP | CEP | HEP | HEPB | 120.0° | 120.0° |
| CBP | CEP | HEPA | HEPB | 120.0° | 120.0° |
| CDP | CBP | CCP | HCP | 178.7° | 60.0° |
| CDP | CBP | CCP | HCPA | 58.7° | 179.9° |
| 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 | 56.9° | 180.0° |
| CDP | CBP | CEP | HEPA | 63.1° | 60.0° |
| CDP | CBP | CEP | HEPB | 176.9° | 60.0° |
| CBP | CCP | HCP | HCPA | 121.4° | 119.9° |
| CCP | CBP | CDP | HDP | 65.8° | 175.6° |
| CCP | CBP | CDP | HDPA | 54.2° | 55.6° |
| CCP | CBP | CDP | HDPB | 174.2° | 64.4° |
| CCP | CBP | CEP | HEP | 64.1° | 60.0° |
| CCP | CBP | CEP | HEPA | 175.9° | 60.0° |
| CCP | CBP | CEP | HEPB | 55.9° | 180.0° |
| HDP | CDP | HDPA | HDPB | 120.0° | 120.0° |
| HEP | CEP | HEPA | HEPB | 120.0° | 120.0° |
