HMG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P2A | O5A | doub | 1.55Å | 1.61Å | |
| P2A | O4A | sing | 1.55Å | 1.61Å | |
| P2A | O3A | sing | 1.61Å | 1.60Å | |
| P2A | O6A | sing | 1.61Å | 1.59Å | |
| O3A | P1A | sing | 1.61Å | 1.61Å | |
| O6A | CCP | sing | 1.43Å | 1.42Å | |
| P1A | O1A | doub | 1.55Å | 1.60Å | |
| P1A | O2A | sing | 1.54Å | 1.61Å | |
| P1A | O5B | sing | 1.61Å | 1.58Å | |
| O5B | C5B | sing | 1.43Å | 1.41Å | |
| C5B | C4B | sing | 1.53Å | 1.52Å | |
| C5B | H5'1 | sing | 1.09Å | 1.12Å | |
| C5B | H5'2 | sing | 1.09Å | 1.11Å | |
| C4B | O4B | sing | 1.44Å | 1.44Å | |
| C4B | C3B | sing | 1.54Å | 1.53Å | |
| C4B | H4B | sing | 1.09Å | 1.11Å | |
| O4B | C1B | sing | 1.44Å | 1.44Å | |
| C3B | O3B | sing | 1.43Å | 1.43Å | |
| C3B | C2B | sing | 1.55Å | 1.53Å | |
| C3B | H3B | sing | 1.09Å | 1.11Å | |
| O3B | P3B | sing | 1.61Å | 1.61Å | |
| C2B | O2B | sing | 1.43Å | 1.43Å | |
| C2B | C1B | sing | 1.55Å | 1.53Å | |
| C2B | H2' | sing | 1.09Å | 1.12Å | |
| O2B | H2B | sing | 0.97Å | 0.95Å | |
| C1B | N9A | sing | 1.47Å | 1.49Å | |
| C1B | H1B | sing | 1.09Å | 1.12Å | |
| P3B | O7A | doub | 1.57Å | 1.61Å | |
| P3B | O8A | sing | 1.57Å | 1.62Å | |
| P3B | O9A | sing | 1.57Å | 1.61Å | |
| N9A | C4A | sing | 1.37Å | 1.39Å | Aromatic |
| N9A | C8A | sing | 1.36Å | 1.39Å | Aromatic |
| C4A | N3A | sing | 1.33Å | 1.47Å | Aromatic |
| C4A | C5A | doub | 1.40Å | 1.46Å | Aromatic |
| N3A | C2A | doub | 1.32Å | 1.31Å | Aromatic |
| C2A | N1A | sing | 1.32Å | 1.32Å | Aromatic |
| C2A | H2A1 | sing | 1.08Å | 1.10Å | |
| N1A | C6A | doub | 1.33Å | 1.33Å | Aromatic |
| C6A | C5A | sing | 1.41Å | 1.45Å | Aromatic |
| C6A | N6A | sing | 1.38Å | 1.33Å | |
| C5A | N7A | sing | 1.35Å | 1.39Å | Aromatic |
| N7A | C8A | doub | 1.30Å | 1.38Å | Aromatic |
| C8A | H8A1 | sing | 1.08Å | 1.10Å | |
| N6A | H61A | sing | 0.97Å | 1.02Å | |
| N6A | H62A | sing | 0.97Å | 1.02Å | |
| CBP | CCP | sing | 1.53Å | 1.52Å | |
| CBP | CDP | sing | 1.53Å | 1.55Å | |
| CBP | CEP | sing | 1.53Å | 1.56Å | |
| CBP | CAP | sing | 1.53Å | 1.59Å | |
| CCP | H121 | sing | 1.09Å | 1.12Å | |
| CCP | H122 | sing | 1.09Å | 1.11Å | |
| CDP | H131 | sing | 1.09Å | 1.12Å | |
| CDP | H132 | sing | 1.09Å | 1.11Å | |
| CDP | H133 | sing | 1.09Å | 1.12Å | |
| CEP | H141 | sing | 1.09Å | 1.12Å | |
| CEP | H142 | sing | 1.09Å | 1.12Å | |
| CEP | H143 | sing | 1.09Å | 1.11Å | |
| CAP | OAP | sing | 1.43Å | 1.46Å | |
| CAP | C9P | sing | 1.51Å | 1.55Å | |
| CAP | H101 | sing | 1.09Å | 1.11Å | |
| OAP | H10 | sing | 0.97Å | 0.95Å | |
| C9P | O9P | doub | 1.21Å | 1.24Å | |
| C9P | N8P | sing | 1.35Å | 1.35Å | |
| N8P | C7P | sing | 1.47Å | 1.47Å | |
| N8P | H8 | sing | 0.97Å | 1.02Å | |
| C7P | C6P | sing | 1.53Å | 1.54Å | |
| C7P | H7P1 | sing | 1.09Å | 1.12Å | |
| C7P | H7P2 | sing | 1.09Å | 1.11Å | |
| C6P | C5P | sing | 1.51Å | 1.51Å | |
| C6P | H6P1 | sing | 1.09Å | 1.12Å | |
| C6P | H6P2 | sing | 1.09Å | 1.11Å | |
| C5P | O5P | doub | 1.21Å | 1.24Å | |
| C5P | N4P | sing | 1.35Å | 1.36Å | |
| N4P | C3P | sing | 1.46Å | 1.48Å | |
| N4P | H4 | sing | 0.97Å | 1.02Å | |
| C3P | C2P | sing | 1.53Å | 1.53Å | |
| C3P | H3P1 | sing | 1.09Å | 1.12Å | |
| C3P | H3P2 | sing | 1.09Å | 1.12Å | |
| C2P | S1P | sing | 1.81Å | 1.84Å | |
| C2P | H2P1 | sing | 1.09Å | 1.12Å | |
| C2P | H2P2 | sing | 1.09Å | 1.11Å | |
| S1P | C1 | sing | 1.71Å | 1.86Å | |
| C1 | O2 | doub | 1.21Å | 1.27Å | |
| C1 | C2 | sing | 1.51Å | 1.57Å | |
| C2 | C3 | sing | 1.53Å | 1.57Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | O7 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.58Å | |
| C3 | C6 | sing | 1.53Å | 1.57Å | |
| O7 | HX | sing | 0.97Å | 0.95Å | |
| C4 | C5 | sing | 1.51Å | 1.56Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C5 | O3 | doub | 1.22Å | 1.23Å | |
| C5 | O4 | sing | 1.22Å | 1.38Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C6 | H63 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5A | P2A | O4A | 111.1° | 109.5° |
| O5A | P2A | O3A | 110.4° | 109.5° |
| O5A | P2A | O6A | 108.9° | 109.5° |
| O4A | P2A | O3A | 108.9° | 109.5° |
| O4A | P2A | O6A | 110.0° | 109.4° |
| O3A | P2A | O6A | 107.5° | 109.5° |
| P2A | O3A | P1A | 122.5° | 134.0° |
| P2A | O6A | CCP | 120.0° | 123.0° |
| O3A | P1A | O1A | 110.8° | 109.5° |
| O3A | P1A | O2A | 108.8° | 109.5° |
| O3A | P1A | O5B | 111.4° | 109.5° |
| O6A | CCP | CBP | 111.1° | 109.5° |
| O6A | CCP | H121 | 111.6° | 109.5° |
| O6A | CCP | H122 | 111.7° | 109.5° |
| O1A | P1A | O2A | 109.2° | 109.5° |
| O1A | P1A | O5B | 107.1° | 109.5° |
| O2A | P1A | O5B | 109.6° | 109.5° |
| P1A | O5B | C5B | 115.1° | 123.0° |
| O5B | C5B | C4B | 112.1° | 109.5° |
| O5B | C5B | H5'1 | 111.2° | 109.5° |
| O5B | C5B | H5'2 | 111.3° | 109.4° |
| C4B | C5B | H5'1 | 111.2° | 109.5° |
| C4B | C5B | H5'2 | 111.2° | 109.5° |
| C5B | C4B | O4B | 108.2° | 109.9° |
| C5B | C4B | C3B | 109.2° | 109.9° |
| C5B | C4B | H4B | 110.2° | 109.9° |
| H5'1 | C5B | H5'2 | 99.1° | 109.5° |
| O4B | C4B | C3B | 108.4° | 107.3° |
| O4B | C4B | H4B | 110.9° | 109.8° |
| C4B | O4B | C1B | 109.4° | 107.0° |
| C3B | C4B | H4B | 109.9° | 110.0° |
| C4B | C3B | O3B | 113.2° | 110.5° |
| C4B | C3B | C2B | 104.5° | 104.2° |
| C4B | C3B | H3B | 112.7° | 110.5° |
| O4B | C1B | C2B | 106.8° | 103.5° |
| O4B | C1B | N9A | 110.7° | 110.6° |
| O4B | C1B | H1B | 111.2° | 110.6° |
| O3B | C3B | C2B | 115.5° | 110.4° |
| O3B | C3B | H3B | 101.0° | 110.4° |
| C3B | O3B | P3B | 116.9° | 123.0° |
| C2B | C3B | H3B | 110.2° | 110.6° |
| C3B | C2B | O2B | 114.6° | 110.9° |
| C3B | C2B | C1B | 103.1° | 102.1° |
| C3B | C2B | H2' | 112.0° | 110.9° |
| O3B | P3B | O7A | 108.5° | 109.5° |
| O3B | P3B | O8A | 109.5° | 109.5° |
| O3B | P3B | O9A | 109.8° | 109.5° |
| O2B | C2B | C1B | 113.7° | 110.9° |
| O2B | C2B | H2' | 101.0° | 110.8° |
| C2B | O2B | H2B | 114.6° | 114.0° |
| C1B | C2B | H2' | 112.9° | 110.9° |
| C2B | C1B | N9A | 111.5° | 110.6° |
| C2B | C1B | H1B | 110.3° | 110.6° |
| N9A | C1B | H1B | 106.4° | 110.7° |
| C1B | N9A | C4A | 128.0° | 126.2° |
| C1B | N9A | C8A | 131.8° | 126.3° |
| O7A | P3B | O8A | 107.5° | 109.5° |
| O7A | P3B | O9A | 110.8° | 109.5° |
| O8A | P3B | O9A | 110.6° | 109.5° |
| C4A | N9A | C8A | 100.2° | 107.5° |
| N9A | C4A | N3A | 134.0° | 134.9° |
| N9A | C4A | C5A | 107.5° | 106.0° |
| N9A | C8A | N7A | 122.0° | 109.9° |
| N9A | C8A | H8A1 | 119.7° | 125.1° |
| N3A | C4A | C5A | 118.5° | 119.1° |
| C4A | N3A | C2A | 116.2° | 120.7° |
| C4A | C5A | C6A | 116.1° | 118.2° |
| C4A | C5A | N7A | 113.1° | 107.2° |
| N3A | C2A | N1A | 127.6° | 122.4° |
| N3A | C2A | H2A1 | 115.8° | 118.8° |
| N1A | C2A | H2A1 | 116.6° | 118.8° |
| C2A | N1A | C6A | 120.6° | 121.2° |
| N1A | C6A | C5A | 120.9° | 118.4° |
| N1A | C6A | N6A | 118.3° | 120.8° |
| C5A | C6A | N6A | 120.7° | 120.8° |
| C6A | C5A | N7A | 130.7° | 134.6° |
| C6A | N6A | H61A | 118.4° | 119.9° |
| C6A | N6A | H62A | 109.0° | 120.0° |
| C5A | N7A | C8A | 97.2° | 109.4° |
| N7A | C8A | H8A1 | 118.3° | 125.0° |
| H61A | N6A | H62A | 109.0° | 120.0° |
| CCP | CBP | CDP | 107.7° | 109.5° |
| CCP | CBP | CEP | 107.5° | 109.4° |
| CCP | CBP | CAP | 108.3° | 109.5° |
| CBP | CCP | H121 | 111.6° | 109.5° |
| CBP | CCP | H122 | 111.6° | 109.4° |
| CDP | CBP | CEP | 108.8° | 109.4° |
| CDP | CBP | CAP | 111.7° | 109.5° |
| CBP | CDP | H131 | 107.8° | 109.5° |
| CBP | CDP | H132 | 112.9° | 109.5° |
| CBP | CDP | H133 | 112.9° | 109.5° |
| CEP | CBP | CAP | 112.6° | 109.5° |
| CBP | CEP | H141 | 107.5° | 109.5° |
| CBP | CEP | H142 | 113.0° | 109.5° |
| CBP | CEP | H143 | 113.0° | 109.5° |
| CBP | CAP | OAP | 109.6° | 109.5° |
| CBP | CAP | C9P | 114.4° | 109.4° |
| CBP | CAP | H101 | 106.2° | 109.5° |
| H121 | CCP | H122 | 98.8° | 109.4° |
| H131 | CDP | H132 | 112.8° | 109.4° |
| H131 | CDP | H133 | 112.8° | 109.5° |
| H132 | CDP | H133 | 97.6° | 109.5° |
| H141 | CEP | H142 | 112.9° | 109.4° |
| H141 | CEP | H143 | 112.9° | 109.5° |
| H142 | CEP | H143 | 97.5° | 109.5° |
| OAP | CAP | C9P | 110.0° | 109.5° |
| OAP | CAP | H101 | 111.0° | 109.5° |
| CAP | OAP | H10 | 109.6° | 114.0° |
| C9P | CAP | H101 | 105.6° | 109.5° |
| CAP | C9P | O9P | 118.8° | 120.0° |
| CAP | C9P | N8P | 117.7° | 120.0° |
| O9P | C9P | N8P | 123.4° | 120.0° |
| C9P | N8P | C7P | 123.0° | 120.0° |
| C9P | N8P | H8 | 113.8° | 120.0° |
| C7P | N8P | H8 | 123.2° | 120.0° |
| N8P | C7P | C6P | 110.9° | 109.5° |
| N8P | C7P | H7P1 | 111.7° | 109.5° |
| N8P | C7P | H7P2 | 111.7° | 109.5° |
| C6P | C7P | H7P1 | 111.6° | 109.5° |
| C6P | C7P | H7P2 | 111.7° | 109.5° |
| C7P | C6P | C5P | 113.4° | 109.5° |
| C7P | C6P | H6P1 | 110.8° | 109.5° |
| C7P | C6P | H6P2 | 110.8° | 109.5° |
| H7P1 | C7P | H7P2 | 98.7° | 109.5° |
| C5P | C6P | H6P1 | 110.7° | 109.5° |
| C5P | C6P | H6P2 | 110.7° | 109.5° |
| C6P | C5P | O5P | 118.9° | 120.0° |
| C6P | C5P | N4P | 115.7° | 120.0° |
| H6P1 | C6P | H6P2 | 99.5° | 109.5° |
| O5P | C5P | N4P | 125.4° | 120.0° |
| C5P | N4P | C3P | 124.2° | 120.0° |
| C5P | N4P | H4 | 113.5° | 120.0° |
| C3P | N4P | H4 | 122.3° | 120.0° |
| N4P | C3P | C2P | 109.3° | 109.5° |
| N4P | C3P | H3P1 | 112.3° | 109.5° |
| N4P | C3P | H3P2 | 112.3° | 109.5° |
| C2P | C3P | H3P1 | 112.3° | 109.4° |
| C2P | C3P | H3P2 | 112.2° | 109.5° |
| C3P | C2P | S1P | 112.1° | 109.5° |
| C3P | C2P | H2P1 | 111.2° | 109.5° |
| C3P | C2P | H2P2 | 111.3° | 109.5° |
| H3P1 | C3P | H3P2 | 98.1° | 109.4° |
| S1P | C2P | H2P1 | 111.2° | 109.5° |
| S1P | C2P | H2P2 | 111.2° | 109.5° |
| C2P | S1P | C1 | 104.5° | 100.0° |
| H2P1 | C2P | H2P2 | 99.1° | 109.4° |
| S1P | C1 | O2 | 122.5° | 120.0° |
| S1P | C1 | C2 | 118.4° | 120.0° |
| O2 | C1 | C2 | 119.1° | 120.0° |
| C1 | C2 | C3 | 117.1° | 109.4° |
| C1 | C2 | H21 | 109.4° | 109.4° |
| C1 | C2 | H22 | 109.5° | 109.5° |
| C3 | C2 | H21 | 109.4° | 109.5° |
| C3 | C2 | H22 | 109.4° | 109.5° |
| C2 | C3 | O7 | 107.4° | 109.5° |
| C2 | C3 | C4 | 109.4° | 109.5° |
| C2 | C3 | C6 | 111.2° | 109.4° |
| H21 | C2 | H22 | 100.7° | 109.5° |
| O7 | C3 | C4 | 108.5° | 109.5° |
| O7 | C3 | C6 | 108.7° | 109.5° |
| C3 | O7 | HX | 107.4° | 114.0° |
| C4 | C3 | C6 | 111.5° | 109.5° |
| C3 | C4 | C5 | 117.8° | 109.5° |
| C3 | C4 | H41 | 109.2° | 109.5° |
| C3 | C4 | H42 | 109.2° | 109.5° |
| C3 | C6 | H61 | 111.2° | 109.5° |
| C3 | C6 | H62 | 111.5° | 109.4° |
| C3 | C6 | H63 | 111.5° | 109.5° |
| C5 | C4 | H41 | 109.2° | 109.5° |
| C5 | C4 | H42 | 109.2° | 109.4° |
| C4 | C5 | O3 | 123.4° | 120.0° |
| C4 | C5 | O4 | 113.0° | 120.0° |
| H41 | C4 | H42 | 100.8° | 109.4° |
| O3 | C5 | O4 | 123.6° | 120.0° |
| H61 | C6 | H62 | 111.6° | 109.5° |
| H61 | C6 | H63 | 111.6° | 109.5° |
| H62 | C6 | H63 | 98.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5A | P2A | O4A | O3A | 121.7° | 120.0° |
| O5A | P2A | O4A | O6A | 120.7° | 120.0° |
| O5A | P2A | O3A | O6A | 118.6° | 120.0° |
| O5A | P2A | O3A | P1A | 158.3° | 40.0° |
| O5A | P2A | O6A | CCP | 46.1° | 55.0° |
| O4A | P2A | O3A | O6A | 119.2° | 120.0° |
| O4A | P2A | O3A | P1A | 36.1° | 80.0° |
| O4A | P2A | O6A | CCP | 168.0° | 65.0° |
| O3A | P2A | O6A | CCP | 73.5° | 175.0° |
| P2A | O3A | P1A | O1A | 100.1° | 40.0° |
| P2A | O3A | P1A | O2A | 139.8° | 80.0° |
| P2A | O3A | P1A | O5B | 19.0° | 160.0° |
| O6A | P2A | O3A | P1A | 83.1° | 160.0° |
| P2A | O6A | CCP | CBP | 141.8° | 180.0° |
| P2A | O6A | CCP | H121 | 16.6° | 60.0° |
| P2A | O6A | CCP | H122 | 93.0° | 60.0° |
| O3A | P1A | O1A | O2A | 119.8° | 120.0° |
| O3A | P1A | O1A | O5B | 121.7° | 120.0° |
| O3A | P1A | O2A | O5B | 122.0° | 120.0° |
| O3A | P1A | O5B | C5B | 146.9° | 175.0° |
| O6A | CCP | CBP | H121 | 125.3° | 120.0° |
| O6A | CCP | CBP | H122 | 125.3° | 120.0° |
| O6A | CCP | CBP | CDP | 179.8° | 60.0° |
| O6A | CCP | CBP | CEP | 63.1° | 60.0° |
| O6A | CCP | CBP | CAP | 58.8° | 180.0° |
| O6A | CCP | H121 | H122 | 117.6° | 120.0° |
| O1A | P1A | O2A | O5B | 117.0° | 120.0° |
| O1A | P1A | O5B | C5B | 91.8° | 55.0° |
| O2A | P1A | O5B | C5B | 26.5° | 65.0° |
| P1A | O5B | C5B | C4B | 173.4° | 180.0° |
| P1A | O5B | C5B | H5'1 | 48.2° | 60.0° |
| P1A | O5B | C5B | H5'2 | 61.3° | 60.0° |
| O5B | C5B | C4B | H5'1 | 125.2° | 120.0° |
| O5B | C5B | C4B | H5'2 | 125.3° | 120.0° |
| O5B | C5B | H5'1 | H5'2 | 117.2° | 120.0° |
| O5B | C5B | C4B | O4B | 59.2° | 66.5° |
| O5B | C5B | C4B | C3B | 177.0° | 175.7° |
| O5B | C5B | C4B | H4B | 62.2° | 54.5° |
| C4B | C5B | H5'1 | H5'2 | 117.1° | 120.0° |
| C5B | C4B | O4B | C3B | 118.3° | 119.4° |
| C5B | C4B | O4B | H4B | 120.9° | 121.0° |
| C5B | C4B | C3B | H4B | 121.0° | 121.1° |
| C5B | C4B | O4B | C1B | 113.5° | 145.9° |
| C5B | C4B | C3B | O3B | 102.7° | 119.9° |
| C5B | C4B | C3B | C2B | 130.7° | 121.5° |
| C5B | C4B | C3B | H3B | 11.1° | 2.6° |
| H5'1 | C5B | C4B | O4B | 66.1° | 53.5° |
| H5'1 | C5B | C4B | C3B | 51.7° | 64.3° |
| H5'1 | C5B | C4B | H4B | 172.6° | 174.5° |
| H5'2 | C5B | C4B | O4B | 175.5° | 173.6° |
| H5'2 | C5B | C4B | C3B | 57.7° | 55.7° |
| H5'2 | C5B | C4B | H4B | 63.1° | 65.5° |
| O4B | C4B | C3B | H4B | 121.3° | 119.5° |
| O4B | C4B | C3B | O3B | 139.6° | 120.7° |
| O4B | C4B | C3B | C2B | 13.0° | 2.0° |
| O4B | C4B | C3B | H3B | 106.6° | 116.8° |
| C4B | O4B | C1B | C2B | 20.9° | 40.0° |
| C4B | O4B | C1B | N9A | 100.7° | 158.6° |
| C4B | O4B | C1B | H1B | 141.2° | 78.4° |
| C3B | C4B | O4B | C1B | 4.8° | 26.5° |
| C4B | C3B | O3B | C2B | 120.5° | 114.8° |
| C4B | C3B | O3B | H3B | 120.7° | 122.5° |
| C4B | C3B | C2B | H3B | 121.3° | 118.7° |
| C4B | C3B | O3B | P3B | 115.9° | 120.0° |
| C4B | C3B | C2B | O2B | 99.7° | 139.1° |
| C4B | C3B | C2B | C1B | 24.4° | 20.9° |
| C4B | C3B | C2B | H2' | 146.0° | 97.3° |
| H4B | C4B | O4B | C1B | 125.6° | 93.1° |
| H4B | C4B | C3B | O3B | 18.3° | 1.2° |
| H4B | C4B | C3B | C2B | 108.3° | 117.4° |
| H4B | C4B | C3B | H3B | 132.1° | 123.7° |
| O4B | C1B | C2B | C3B | 28.1° | 37.0° |
| O4B | C1B | C2B | O2B | 96.6° | 155.2° |
| O4B | C1B | C2B | N9A | 121.1° | 118.5° |
| O4B | C1B | C2B | H1B | 120.9° | 118.5° |
| O4B | C1B | C2B | H2' | 149.2° | 81.2° |
| O4B | C1B | N9A | H1B | 120.9° | 122.9° |
| O4B | C1B | N9A | C4A | 176.7° | 156.5° |
| O4B | C1B | N9A | C8A | 2.9° | 23.3° |
| O3B | C3B | C2B | H3B | 113.6° | 122.6° |
| O3B | C3B | C2B | O2B | 25.4° | 20.4° |
| O3B | C3B | C2B | C1B | 149.5° | 97.8° |
| O3B | C3B | C2B | H2' | 88.9° | 144.0° |
| C3B | O3B | P3B | O7A | 53.3° | 55.0° |
| C3B | O3B | P3B | O8A | 63.9° | 65.0° |
| C3B | O3B | P3B | O9A | 174.5° | 175.0° |
| C2B | C3B | O3B | P3B | 123.6° | 125.3° |
| C3B | C2B | O2B | C1B | 118.2° | 112.7° |
| C3B | C2B | O2B | H2' | 120.6° | 123.7° |
| C3B | C2B | C1B | H2' | 121.1° | 118.2° |
| C3B | C2B | O2B | H2B | 180.0° | 179.9° |
| C3B | C2B | C1B | N9A | 93.0° | 155.5° |
| C3B | C2B | C1B | H1B | 149.0° | 81.4° |
| H3B | C3B | O3B | P3B | 4.8° | 2.6° |
| H3B | C3B | C2B | O2B | 139.0° | 102.2° |
| H3B | C3B | C2B | C1B | 96.9° | 139.6° |
| H3B | C3B | C2B | H2' | 24.7° | 21.4° |
| O3B | P3B | O7A | O8A | 118.4° | 120.0° |
| O3B | P3B | O7A | O9A | 120.6° | 120.0° |
| O3B | P3B | O8A | O9A | 121.2° | 120.0° |
| O2B | C2B | C1B | H2' | 114.2° | 123.6° |
| O2B | C2B | C1B | N9A | 142.4° | 86.3° |
| O2B | C2B | C1B | H1B | 24.3° | 36.8° |
| C1B | C2B | O2B | H2B | 61.7° | 67.3° |
| C2B | C1B | N9A | H1B | 120.3° | 123.0° |
| C2B | C1B | N9A | C4A | 64.5° | 89.5° |
| C2B | C1B | N9A | C8A | 115.9° | 90.8° |
| H2' | C2B | O2B | H2B | 59.4° | 56.3° |
| H2' | C2B | C1B | N9A | 28.1° | 37.3° |
| H2' | C2B | C1B | H1B | 89.9° | 160.3° |
| C1B | N9A | C4A | C8A | 179.7° | 179.8° |
| C1B | N9A | C4A | N3A | 0.0° | 0.1° |
| C1B | N9A | C4A | C5A | 179.6° | 180.0° |
| C1B | N9A | C8A | N7A | 179.8° | 179.8° |
| C1B | N9A | C8A | H8A1 | 0.2° | 0.1° |
| H1B | C1B | N9A | C4A | 55.9° | 33.5° |
| H1B | C1B | N9A | C8A | 123.8° | 146.2° |
| O7A | P3B | O8A | O9A | 121.1° | 120.0° |
| N9A | C4A | N3A | C5A | 179.6° | 179.9° |
| N9A | C4A | N3A | C2A | 179.5° | 180.0° |
| N9A | C4A | C5A | C6A | 179.4° | 180.0° |
| N9A | C4A | C5A | N7A | 0.4° | 0.0° |
| C4A | N9A | C8A | N7A | 0.1° | 0.4° |
| C4A | N9A | C8A | H8A1 | 179.9° | 179.7° |
| C8A | N9A | C4A | N3A | 179.8° | 179.7° |
| C8A | N9A | C4A | C5A | 0.2° | 0.2° |
| N9A | C8A | N7A | C5A | 0.3° | 0.4° |
| N9A | C8A | N7A | H8A1 | 180.0° | 179.9° |
| C4A | N3A | C2A | N1A | 0.1° | 0.0° |
| C4A | N3A | C2A | H2A1 | 179.9° | 180.0° |
| N3A | C4A | C5A | C6A | 0.3° | 0.1° |
| N3A | C4A | C5A | N7A | 180.0° | 180.0° |
| C5A | C4A | N3A | C2A | 0.1° | 0.1° |
| C4A | C5A | C6A | N1A | 0.5° | 0.1° |
| C4A | C5A | C6A | N7A | 179.6° | 179.9° |
| C4A | C5A | C6A | N6A | 180.0° | 179.9° |
| C4A | C5A | N7A | C8A | 0.4° | 0.3° |
| N3A | C2A | N1A | H2A1 | 179.9° | 180.0° |
| N3A | C2A | N1A | C6A | 0.0° | 0.0° |
| C2A | N1A | C6A | C5A | 0.3° | 0.0° |
| C2A | N1A | C6A | N6A | 179.9° | 180.0° |
| H2A1 | C2A | N1A | C6A | 179.9° | 180.0° |
| N1A | C6A | C5A | N6A | 179.5° | 180.0° |
| N1A | C6A | C5A | N7A | 179.9° | 180.0° |
| N1A | C6A | N6A | H61A | 180.0° | 0.0° |
| N1A | C6A | N6A | H62A | 54.8° | 180.0° |
| C6A | C5A | N7A | C8A | 179.3° | 179.8° |
| C5A | C6A | N6A | H61A | 0.5° | 180.0° |
| C5A | C6A | N6A | H62A | 125.7° | 0.1° |
| N6A | C6A | C5A | N7A | 0.4° | 0.1° |
| C6A | N6A | H61A | H62A | 125.2° | 180.0° |
| C5A | N7A | C8A | H8A1 | 179.7° | 179.7° |
| CCP | CBP | CDP | CEP | 116.3° | 119.9° |
| CCP | CBP | CDP | CAP | 118.8° | 120.1° |
| CCP | CBP | CEP | CAP | 119.2° | 120.0° |
| CBP | CCP | H121 | H122 | 117.5° | 120.0° |
| CCP | CBP | CDP | H131 | 180.0° | 66.9° |
| CCP | CBP | CDP | H132 | 54.8° | 173.1° |
| CCP | CBP | CDP | H133 | 54.8° | 53.1° |
| CCP | CBP | CEP | H141 | 180.0° | 63.4° |
| CCP | CBP | CEP | H142 | 54.8° | 176.6° |
| CCP | CBP | CEP | H143 | 54.8° | 56.6° |
| CCP | CBP | CAP | OAP | 58.4° | 65.8° |
| CCP | CBP | CAP | C9P | 177.5° | 54.2° |
| CCP | CBP | CAP | H101 | 61.4° | 174.2° |
| CDP | CBP | CEP | CAP | 124.4° | 120.0° |
| CDP | CBP | CCP | H121 | 54.5° | 180.0° |
| CDP | CBP | CCP | H122 | 54.9° | 60.1° |
| CBP | CDP | H131 | H132 | 125.3° | 120.0° |
| CBP | CDP | H131 | H133 | 125.3° | 120.0° |
| CBP | CDP | H132 | H133 | 118.9° | 120.0° |
| CDP | CBP | CEP | H141 | 63.6° | 176.6° |
| CDP | CBP | CEP | H142 | 61.6° | 56.7° |
| CDP | CBP | CEP | H143 | 171.2° | 63.3° |
| CDP | CBP | CAP | OAP | 60.0° | 174.2° |
| CDP | CBP | CAP | C9P | 64.0° | 65.8° |
| CDP | CBP | CAP | H101 | 179.9° | 54.2° |
| CEP | CBP | CCP | H121 | 171.6° | 60.0° |
| CEP | CBP | CCP | H122 | 62.2° | 180.0° |
| CEP | CBP | CDP | H131 | 63.7° | 53.1° |
| CEP | CBP | CDP | H132 | 171.0° | 66.9° |
| CEP | CBP | CDP | H133 | 61.5° | 173.1° |
| CBP | CEP | H141 | H142 | 125.3° | 120.0° |
| CBP | CEP | H141 | H143 | 125.3° | 120.0° |
| CBP | CEP | H142 | H143 | 118.9° | 120.0° |
| CEP | CBP | CAP | OAP | 177.1° | 54.2° |
| CEP | CBP | CAP | C9P | 58.8° | 174.2° |
| CEP | CBP | CAP | H101 | 57.3° | 65.8° |
| CAP | CBP | CCP | H121 | 66.5° | 60.0° |
| CAP | CBP | CCP | H122 | 175.9° | 60.0° |
| CAP | CBP | CDP | H131 | 61.2° | 173.1° |
| CAP | CBP | CDP | H132 | 64.0° | 53.1° |
| CAP | CBP | CDP | H133 | 173.6° | 66.9° |
| CAP | CBP | CEP | H141 | 60.9° | 56.6° |
| CAP | CBP | CEP | H142 | 173.9° | 63.4° |
| CAP | CBP | CEP | H143 | 64.4° | 176.6° |
| CBP | CAP | OAP | C9P | 126.6° | 120.0° |
| CBP | CAP | OAP | H101 | 116.9° | 120.0° |
| CBP | CAP | C9P | H101 | 116.4° | 120.0° |
| CBP | CAP | OAP | H10 | 180.0° | 60.0° |
| CBP | CAP | C9P | O9P | 90.0° | 111.9° |
| CBP | CAP | C9P | N8P | 89.1° | 68.1° |
| H131 | CDP | H132 | H133 | 118.7° | 120.0° |
| H141 | CEP | H142 | H143 | 118.8° | 120.0° |
| OAP | CAP | C9P | H101 | 119.8° | 120.0° |
| OAP | CAP | C9P | O9P | 146.2° | 8.1° |
| OAP | CAP | C9P | N8P | 34.7° | 171.9° |
| C9P | CAP | OAP | H10 | 53.4° | 59.9° |
| CAP | C9P | O9P | N8P | 179.0° | 180.0° |
| CAP | C9P | N8P | C7P | 169.8° | 175.6° |
| CAP | C9P | N8P | H8 | 10.2° | 4.4° |
| H101 | CAP | OAP | H10 | 63.1° | 180.0° |
| H101 | CAP | C9P | O9P | 26.4° | 128.1° |
| H101 | CAP | C9P | N8P | 154.5° | 51.8° |
| O9P | C9P | N8P | C7P | 11.2° | 4.4° |
| O9P | C9P | N8P | H8 | 168.8° | 175.5° |
| C9P | N8P | C7P | H8 | 180.0° | 179.9° |
| C9P | N8P | C7P | C6P | 63.8° | 180.0° |
| C9P | N8P | C7P | H7P1 | 61.5° | 60.0° |
| C9P | N8P | C7P | H7P2 | 171.0° | 60.0° |
| N8P | C7P | C6P | H7P1 | 125.3° | 120.0° |
| N8P | C7P | C6P | H7P2 | 125.3° | 120.0° |
| N8P | C7P | H7P1 | H7P2 | 117.6° | 120.0° |
| N8P | C7P | C6P | C5P | 179.7° | 180.0° |
| N8P | C7P | C6P | H6P1 | 55.1° | 60.0° |
| N8P | C7P | C6P | H6P2 | 54.4° | 60.0° |
| H8 | N8P | C7P | C6P | 116.2° | 0.1° |
| H8 | N8P | C7P | H7P1 | 118.5° | 120.0° |
| H8 | N8P | C7P | H7P2 | 9.1° | 120.0° |
| C6P | C7P | H7P1 | H7P2 | 117.5° | 120.0° |
| C7P | C6P | C5P | H6P1 | 125.3° | 120.0° |
| C7P | C6P | C5P | H6P2 | 125.3° | 120.0° |
| C7P | C6P | H6P1 | H6P2 | 116.7° | 120.0° |
| C7P | C6P | C5P | O5P | 77.2° | 0.0° |
| C7P | C6P | C5P | N4P | 102.3° | 180.0° |
| H7P1 | C7P | C6P | C5P | 54.4° | 60.0° |
| H7P1 | C7P | C6P | H6P1 | 179.6° | 180.0° |
| H7P1 | C7P | C6P | H6P2 | 70.8° | 60.0° |
| H7P2 | C7P | C6P | C5P | 55.0° | 60.0° |
| H7P2 | C7P | C6P | H6P1 | 70.2° | 60.0° |
| H7P2 | C7P | C6P | H6P2 | 179.7° | 180.0° |
| C5P | C6P | H6P1 | H6P2 | 116.6° | 120.0° |
| C6P | C5P | O5P | N4P | 179.5° | 180.0° |
| C6P | C5P | N4P | C3P | 134.4° | 180.0° |
| C6P | C5P | N4P | H4 | 45.6° | 0.1° |
| H6P1 | C6P | C5P | O5P | 157.5° | 120.0° |
| H6P1 | C6P | C5P | N4P | 23.0° | 60.0° |
| H6P2 | C6P | C5P | O5P | 48.1° | 120.0° |
| H6P2 | C6P | C5P | N4P | 132.4° | 60.0° |
| O5P | C5P | N4P | C3P | 46.0° | 0.1° |
| O5P | C5P | N4P | H4 | 134.0° | 180.0° |
| C5P | N4P | C3P | H4 | 180.0° | 179.9° |
| C5P | N4P | C3P | C2P | 86.3° | 180.0° |
| C5P | N4P | C3P | H3P1 | 148.5° | 60.0° |
| C5P | N4P | C3P | H3P2 | 39.0° | 60.0° |
| N4P | C3P | C2P | H3P1 | 125.3° | 120.0° |
| N4P | C3P | C2P | H3P2 | 125.3° | 120.1° |
| N4P | C3P | H3P1 | H3P2 | 118.3° | 120.1° |
| N4P | C3P | C2P | S1P | 65.6° | 180.0° |
| N4P | C3P | C2P | H2P1 | 169.1° | 60.0° |
| N4P | C3P | C2P | H2P2 | 59.7° | 59.9° |
| H4 | N4P | C3P | C2P | 93.7° | 0.1° |
| H4 | N4P | C3P | H3P1 | 31.6° | 120.0° |
| H4 | N4P | C3P | H3P2 | 141.0° | 119.9° |
| C2P | C3P | H3P1 | H3P2 | 118.1° | 119.9° |
| C3P | C2P | S1P | H2P1 | 125.2° | 120.0° |
| C3P | C2P | S1P | H2P2 | 125.3° | 120.0° |
| C3P | C2P | H2P1 | H2P2 | 117.1° | 120.0° |
| C3P | C2P | S1P | C1 | 135.0° | 180.0° |
| H3P1 | C3P | C2P | S1P | 59.7° | 60.0° |
| H3P1 | C3P | C2P | H2P1 | 65.6° | 180.0° |
| H3P1 | C3P | C2P | H2P2 | 175.0° | 60.1° |
| H3P2 | C3P | C2P | S1P | 169.1° | 60.0° |
| H3P2 | C3P | C2P | H2P1 | 43.8° | 60.0° |
| H3P2 | C3P | C2P | H2P2 | 65.6° | NaN° |
| S1P | C2P | H2P1 | H2P2 | 117.1° | 120.0° |
| C2P | S1P | C1 | O2 | 112.1° | 0.0° |
| C2P | S1P | C1 | C2 | 67.4° | 180.0° |
| H2P1 | C2P | S1P | C1 | 9.8° | 60.0° |
| H2P2 | C2P | S1P | C1 | 99.7° | 60.0° |
| S1P | C1 | O2 | C2 | 179.4° | 180.0° |
| S1P | C1 | C2 | C3 | 66.6° | 173.5° |
| S1P | C1 | C2 | H21 | 168.1° | 53.6° |
| S1P | C1 | C2 | H22 | 58.7° | 66.5° |
| O2 | C1 | C2 | C3 | 113.9° | 6.5° |
| O2 | C1 | C2 | H21 | 11.3° | 126.5° |
| O2 | C1 | C2 | H22 | 120.8° | 113.5° |
| C1 | C2 | C3 | H21 | 125.2° | 119.9° |
| C1 | C2 | C3 | H22 | 125.3° | 120.0° |
| C1 | C2 | H21 | H22 | 115.2° | 120.0° |
| C1 | C2 | C3 | O7 | 58.0° | 61.0° |
| C1 | C2 | C3 | C4 | 175.6° | 59.0° |
| C1 | C2 | C3 | C6 | 60.8° | 179.0° |
| C3 | C2 | H21 | H22 | 115.2° | 120.0° |
| C2 | C3 | O7 | C4 | 118.2° | 120.0° |
| C2 | C3 | O7 | C6 | 120.4° | 119.9° |
| C2 | C3 | C4 | C6 | 123.4° | 120.0° |
| C2 | C3 | O7 | HX | 179.9° | 60.0° |
| C2 | C3 | C4 | C5 | 172.2° | 180.0° |
| C2 | C3 | C4 | H41 | 62.5° | 60.0° |
| C2 | C3 | C4 | H42 | 46.9° | 60.0° |
| C2 | C3 | C6 | H61 | 180.0° | 60.7° |
| C2 | C3 | C6 | H62 | 54.7° | 179.4° |
| C2 | C3 | C6 | H63 | 54.7° | 59.4° |
| H21 | C2 | C3 | O7 | 67.3° | 179.1° |
| H21 | C2 | C3 | C4 | 50.3° | 60.9° |
| H21 | C2 | C3 | C6 | 173.9° | 59.1° |
| H22 | C2 | C3 | O7 | 176.7° | 59.0° |
| H22 | C2 | C3 | C4 | 59.1° | 179.0° |
| H22 | C2 | C3 | C6 | 64.5° | 61.0° |
| O7 | C3 | C4 | C6 | 119.7° | 120.0° |
| O7 | C3 | C4 | C5 | 70.9° | 60.0° |
| O7 | C3 | C4 | H41 | 54.4° | 60.0° |
| O7 | C3 | C4 | H42 | 163.8° | 180.0° |
| O7 | C3 | C6 | H61 | 62.0° | 59.3° |
| O7 | C3 | C6 | H62 | 172.7° | 60.6° |
| O7 | C3 | C6 | H63 | 63.3° | 179.3° |
| C4 | C3 | O7 | HX | 61.8° | 60.0° |
| C3 | C4 | C5 | H41 | 125.3° | 120.1° |
| C3 | C4 | C5 | H42 | 125.3° | 120.0° |
| C3 | C4 | H41 | H42 | 114.9° | 120.0° |
| C3 | C4 | C5 | O3 | 69.1° | 0.1° |
| C3 | C4 | C5 | O4 | 110.7° | 180.0° |
| C4 | C3 | C6 | H61 | 57.6° | 179.3° |
| C4 | C3 | C6 | H62 | 67.7° | 59.4° |
| C4 | C3 | C6 | H63 | 177.1° | 60.7° |
| C6 | C3 | O7 | HX | 59.7° | 180.0° |
| C6 | C3 | C4 | C5 | 48.8° | 60.0° |
| C6 | C3 | C4 | H41 | 174.1° | 180.0° |
| C6 | C3 | C4 | H42 | 76.5° | 60.0° |
| C3 | C6 | H61 | H62 | 125.2° | 119.9° |
| C3 | C6 | H61 | H63 | 125.2° | 120.0° |
| C3 | C6 | H62 | H63 | 117.4° | 120.0° |
| C5 | C4 | H41 | H42 | 114.9° | 119.9° |
| C4 | C5 | O3 | O4 | 179.8° | 179.9° |
| H41 | C4 | C5 | O3 | 165.6° | 120.0° |
| H41 | C4 | C5 | O4 | 14.6° | 59.9° |
| H42 | C4 | C5 | O3 | 56.2° | 120.1° |
| H42 | C4 | C5 | O4 | 124.0° | 60.0° |
| H61 | C6 | H62 | H63 | 117.6° | 120.0° |
