ACO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1A | C2A | sing | 1.32Å | 1.37Å | Aromatic |
| N1A | C6A | doub | 1.33Å | 1.36Å | Aromatic |
| C2A | N3A | doub | 1.32Å | 1.32Å | Aromatic |
| C2A | H2A | sing | 1.08Å | 1.10Å | |
| N3A | C4A | sing | 1.33Å | 1.35Å | Aromatic |
| C4A | C5A | doub | 1.40Å | 1.40Å | Aromatic |
| C4A | N9A | sing | 1.37Å | 1.39Å | Aromatic |
| C5A | C6A | sing | 1.40Å | 1.47Å | Aromatic |
| C5A | N7A | sing | 1.35Å | 1.37Å | Aromatic |
| C6A | N6A | sing | 1.38Å | 1.31Å | |
| N6A | H61A | sing | 0.97Å | 1.02Å | |
| N6A | H62A | sing | 0.97Å | 1.02Å | |
| N7A | C8A | doub | 1.30Å | 1.31Å | Aromatic |
| C8A | N9A | sing | 1.36Å | 1.39Å | Aromatic |
| C8A | H8A | sing | 1.08Å | 1.10Å | |
| N9A | C1B | sing | 1.47Å | 1.49Å | |
| C1B | C2B | sing | 1.55Å | 1.50Å | |
| C1B | O4B | sing | 1.44Å | 1.45Å | |
| C1B | H1B | sing | 1.09Å | 1.12Å | |
| C2B | O2B | sing | 1.43Å | 1.44Å | |
| C2B | C3B | sing | 1.55Å | 1.53Å | |
| C2B | H2B | sing | 1.09Å | 1.12Å | |
| O2B | HO2A | sing | 0.97Å | 0.95Å | |
| C3B | O3B | sing | 1.43Å | 1.40Å | |
| C3B | C4B | sing | 1.54Å | 1.55Å | |
| C3B | H3B | sing | 1.09Å | 1.12Å | |
| O3B | P3B | sing | 1.61Å | 1.69Å | |
| P3B | O7A | doub | 1.48Å | 1.60Å | |
| P3B | O8A | sing | 1.61Å | 1.59Å | |
| P3B | O9A | sing | 1.61Å | 1.59Å | |
| O8A | HOA8 | sing | 0.97Å | 0.95Å | |
| O9A | HOA9 | sing | 0.97Å | 0.95Å | |
| C4B | O4B | sing | 1.44Å | 1.48Å | |
| C4B | C5B | sing | 1.53Å | 1.52Å | |
| C4B | H4B | sing | 1.09Å | 1.12Å | |
| C5B | O5B | sing | 1.43Å | 1.47Å | |
| C5B | H51A | sing | 1.09Å | 1.11Å | |
| C5B | H52A | sing | 1.09Å | 1.12Å | |
| O5B | P1A | sing | 1.61Å | 1.61Å | |
| P1A | O1A | doub | 1.48Å | 1.51Å | |
| P1A | O2A | sing | 1.61Å | 1.51Å | |
| P1A | O3A | sing | 1.61Å | 1.56Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| O3A | P2A | sing | 1.61Å | 1.64Å | |
| P2A | O4A | doub | 1.48Å | 1.55Å | |
| P2A | O5A | sing | 1.61Å | 1.55Å | |
| P2A | O6A | sing | 1.61Å | 1.64Å | |
| O5A | HOA5 | sing | 0.97Å | 0.95Å | |
| O6A | CCP | sing | 1.43Å | 1.43Å | |
| CBP | CCP | sing | 1.53Å | 1.52Å | |
| CBP | CDP | sing | 1.53Å | 1.56Å | |
| CBP | CEP | sing | 1.53Å | 1.55Å | |
| CBP | CAP | sing | 1.53Å | 1.57Å | |
| CCP | H121 | sing | 1.09Å | 1.11Å | |
| CCP | H122 | sing | 1.09Å | 1.12Å | |
| CDP | H131 | sing | 1.09Å | 1.11Å | |
| CDP | H132 | sing | 1.09Å | 1.11Å | |
| CDP | H133 | sing | 1.09Å | 1.12Å | |
| CEP | H141 | sing | 1.09Å | 1.11Å | |
| CEP | H142 | sing | 1.09Å | 1.12Å | |
| CEP | H143 | sing | 1.09Å | 1.11Å | |
| CAP | OAP | sing | 1.43Å | 1.43Å | |
| CAP | C9P | sing | 1.51Å | 1.56Å | |
| CAP | H10 | sing | 1.09Å | 1.11Å | |
| OAP | HO1 | sing | 0.97Å | 0.95Å | |
| C9P | O9P | doub | 1.21Å | 1.31Å | |
| C9P | N8P | sing | 1.35Å | 1.35Å | |
| N8P | C7P | sing | 1.46Å | 1.47Å | |
| N8P | HN8 | sing | 0.97Å | 1.02Å | |
| C7P | C6P | sing | 1.53Å | 1.55Å | |
| C7P | H71 | sing | 1.09Å | 1.11Å | |
| C7P | H72 | sing | 1.09Å | 1.11Å | |
| C6P | C5P | sing | 1.51Å | 1.52Å | |
| C6P | H61 | sing | 1.09Å | 1.12Å | |
| C6P | H62 | sing | 1.09Å | 1.12Å | |
| C5P | O5P | doub | 1.21Å | 1.27Å | |
| C5P | N4P | sing | 1.35Å | 1.30Å | |
| N4P | C3P | sing | 1.46Å | 1.50Å | |
| N4P | HN4 | sing | 0.97Å | 1.02Å | |
| C3P | C2P | sing | 1.53Å | 1.58Å | |
| C3P | H31 | sing | 1.09Å | 1.12Å | |
| C3P | H32 | sing | 1.09Å | 1.11Å | |
| C2P | S1P | sing | 1.81Å | 1.83Å | |
| C2P | H21 | sing | 1.09Å | 1.11Å | |
| C2P | H22 | sing | 1.09Å | 1.12Å | |
| S1P | C | sing | 1.71Å | 1.80Å | |
| C | O | doub | 1.21Å | 1.20Å | |
| C | CH3 | sing | 1.51Å | 1.53Å | |
| CH3 | HH31 | sing | 1.09Å | 1.12Å | |
| CH3 | HH32 | sing | 1.09Å | 1.12Å | |
| CH3 | HH33 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2A | N1A | C6A | 121.9° | 121.2° |
| N1A | C2A | N3A | 126.7° | 122.5° |
| N1A | C2A | H2A | 119.0° | 118.8° |
| N1A | C6A | C5A | 115.1° | 118.4° |
| N1A | C6A | N6A | 120.4° | 120.8° |
| N3A | C2A | H2A | 114.3° | 118.7° |
| C2A | N3A | C4A | 112.3° | 120.6° |
| N3A | C4A | C5A | 128.0° | 119.1° |
| N3A | C4A | N9A | 127.9° | 134.9° |
| C5A | C4A | N9A | 104.1° | 106.0° |
| C4A | C5A | C6A | 115.8° | 118.2° |
| C4A | C5A | N7A | 111.2° | 107.1° |
| C4A | N9A | C8A | 106.9° | 107.5° |
| C4A | N9A | C1B | 123.9° | 126.3° |
| C6A | C5A | N7A | 133.0° | 134.7° |
| C5A | C6A | N6A | 124.5° | 120.8° |
| C5A | N7A | C8A | 106.1° | 109.5° |
| C6A | N6A | H61A | 120.4° | 120.0° |
| C6A | N6A | H62A | 108.4° | 120.0° |
| H61A | N6A | H62A | 108.3° | 120.0° |
| N7A | C8A | N9A | 111.7° | 109.9° |
| N7A | C8A | H8A | 121.5° | 125.1° |
| N9A | C8A | H8A | 126.8° | 125.0° |
| C8A | N9A | C1B | 126.4° | 126.3° |
| N9A | C1B | C2B | 111.7° | 110.7° |
| N9A | C1B | O4B | 107.3° | 110.6° |
| N9A | C1B | H1B | 107.7° | 110.5° |
| C2B | C1B | O4B | 103.6° | 103.5° |
| C2B | C1B | H1B | 111.1° | 110.6° |
| C1B | C2B | O2B | 105.7° | 110.9° |
| C1B | C2B | C3B | 96.5° | 102.1° |
| C1B | C2B | H2B | 120.6° | 111.0° |
| O4B | C1B | H1B | 115.3° | 110.7° |
| C1B | O4B | C4B | 107.2° | 107.0° |
| O2B | C2B | C3B | 112.6° | 110.9° |
| O2B | C2B | H2B | 106.6° | 110.8° |
| C2B | O2B | HO2A | 105.8° | 106.8° |
| C3B | C2B | H2B | 114.6° | 111.0° |
| C2B | C3B | O3B | 109.6° | 110.5° |
| C2B | C3B | C4B | 100.1° | 104.0° |
| C2B | C3B | H3B | 116.6° | 110.5° |
| O3B | C3B | C4B | 113.2° | 110.8° |
| O3B | C3B | H3B | 104.4° | 110.4° |
| C3B | O3B | P3B | 108.1° | 106.8° |
| C4B | C3B | H3B | 113.3° | 110.5° |
| C3B | C4B | O4B | 103.2° | 107.4° |
| C3B | C4B | C5B | 121.4° | 109.9° |
| C3B | C4B | H4B | 104.8° | 109.9° |
| O3B | P3B | O7A | 110.2° | 109.5° |
| O3B | P3B | O8A | 109.8° | 109.5° |
| O3B | P3B | O9A | 105.9° | 109.5° |
| O7A | P3B | O8A | 106.3° | 109.5° |
| O7A | P3B | O9A | 112.3° | 109.5° |
| O8A | P3B | O9A | 112.5° | 109.4° |
| P3B | O8A | HOA8 | 109.7° | 106.8° |
| P3B | O9A | HOA9 | 105.9° | 106.8° |
| O4B | C4B | C5B | 105.7° | 109.9° |
| O4B | C4B | H4B | 120.7° | 109.8° |
| C5B | C4B | H4B | 102.3° | 109.9° |
| C4B | C5B | O5B | 105.5° | 109.5° |
| C4B | C5B | H51A | 113.7° | 109.5° |
| C4B | C5B | H52A | 113.7° | 109.5° |
| O5B | C5B | H51A | 113.7° | 109.5° |
| O5B | C5B | H52A | 113.7° | 109.5° |
| C5B | O5B | P1A | 119.6° | 106.8° |
| H51A | C5B | H52A | 96.8° | 109.4° |
| O5B | P1A | O1A | 107.6° | 109.5° |
| O5B | P1A | O2A | 111.6° | 109.5° |
| O5B | P1A | O3A | 103.6° | 109.5° |
| O1A | P1A | O2A | 118.7° | 109.5° |
| O1A | P1A | O3A | 105.4° | 109.4° |
| O2A | P1A | O3A | 108.7° | 109.5° |
| P1A | O2A | HOA2 | 111.6° | 106.8° |
| P1A | O3A | P2A | 132.4° | 106.8° |
| O3A | P2A | O4A | 111.4° | 109.4° |
| O3A | P2A | O5A | 113.0° | 109.5° |
| O3A | P2A | O6A | 96.4° | 109.4° |
| O4A | P2A | O5A | 112.9° | 109.5° |
| O4A | P2A | O6A | 110.3° | 109.5° |
| O5A | P2A | O6A | 111.7° | 109.5° |
| P2A | O5A | HOA5 | 113.0° | 106.8° |
| P2A | O6A | CCP | 116.3° | 106.8° |
| O6A | CCP | CBP | 108.2° | 109.5° |
| O6A | CCP | H121 | 112.7° | 109.5° |
| O6A | CCP | H122 | 112.7° | 109.4° |
| CCP | CBP | CDP | 112.7° | 109.5° |
| CCP | CBP | CEP | 101.6° | 109.5° |
| CCP | CBP | CAP | 106.7° | 109.5° |
| CBP | CCP | H121 | 112.7° | 109.4° |
| CBP | CCP | H122 | 112.7° | 109.5° |
| CDP | CBP | CEP | 111.3° | 109.5° |
| CDP | CBP | CAP | 111.0° | 109.4° |
| CBP | CDP | H131 | 112.7° | 109.5° |
| CBP | CDP | H132 | 111.1° | 109.5° |
| CBP | CDP | H133 | 111.1° | 109.4° |
| CEP | CBP | CAP | 113.2° | 109.5° |
| CBP | CEP | H141 | 101.6° | 109.4° |
| CBP | CEP | H142 | 115.2° | 109.4° |
| CBP | CEP | H143 | 115.3° | 109.5° |
| CBP | CAP | OAP | 111.0° | 109.5° |
| CBP | CAP | C9P | 115.0° | 109.5° |
| CBP | CAP | H10 | 105.6° | 109.5° |
| H121 | CCP | H122 | 97.8° | 109.5° |
| H131 | CDP | H132 | 111.0° | 109.5° |
| H131 | CDP | H133 | 111.0° | 109.5° |
| H132 | CDP | H133 | 99.3° | 109.5° |
| H141 | CEP | H142 | 115.2° | 109.5° |
| H141 | CEP | H143 | 115.2° | 109.5° |
| H142 | CEP | H143 | 95.2° | 109.5° |
| OAP | CAP | C9P | 112.8° | 109.4° |
| OAP | CAP | H10 | 108.2° | 109.4° |
| CAP | OAP | HO1 | 111.0° | 106.7° |
| C9P | CAP | H10 | 103.5° | 109.4° |
| CAP | C9P | O9P | 120.2° | 120.0° |
| CAP | C9P | N8P | 116.2° | 120.0° |
| O9P | C9P | N8P | 123.6° | 120.0° |
| C9P | N8P | C7P | 123.2° | 120.0° |
| C9P | N8P | HN8 | 113.8° | 120.0° |
| C7P | N8P | HN8 | 123.1° | 120.0° |
| N8P | C7P | C6P | 110.3° | 109.6° |
| N8P | C7P | H71 | 111.9° | 109.4° |
| N8P | C7P | H72 | 111.9° | 109.5° |
| C6P | C7P | H71 | 111.8° | 109.4° |
| C6P | C7P | H72 | 111.9° | 109.5° |
| C7P | C6P | C5P | 112.2° | 109.5° |
| C7P | C6P | H61 | 111.2° | 109.4° |
| C7P | C6P | H62 | 111.2° | 109.4° |
| H71 | C7P | H72 | 98.6° | 109.5° |
| C5P | C6P | H61 | 111.2° | 109.5° |
| C5P | C6P | H62 | 111.2° | 109.6° |
| C6P | C5P | O5P | 123.0° | 120.0° |
| C6P | C5P | N4P | 114.5° | 120.0° |
| H61 | C6P | H62 | 99.1° | 109.4° |
| O5P | C5P | N4P | 122.2° | 120.0° |
| C5P | N4P | C3P | 123.3° | 120.0° |
| C5P | N4P | HN4 | 110.6° | 120.0° |
| C3P | N4P | HN4 | 126.0° | 120.0° |
| N4P | C3P | C2P | 112.4° | 109.5° |
| N4P | C3P | H31 | 111.1° | 109.5° |
| N4P | C3P | H32 | 111.2° | 109.5° |
| C2P | C3P | H31 | 111.1° | 109.4° |
| C2P | C3P | H32 | 111.1° | 109.5° |
| C3P | C2P | S1P | 108.8° | 109.5° |
| C3P | C2P | H21 | 112.4° | 109.5° |
| C3P | C2P | H22 | 112.5° | 109.5° |
| H31 | C3P | H32 | 99.2° | 109.5° |
| S1P | C2P | H21 | 112.5° | 109.4° |
| S1P | C2P | H22 | 112.4° | 109.5° |
| C2P | S1P | C | 102.9° | 100.0° |
| H21 | C2P | H22 | 98.0° | 109.5° |
| S1P | C | O | 110.4° | 120.0° |
| S1P | C | CH3 | 124.5° | 120.0° |
| O | C | CH3 | 124.5° | 120.0° |
| C | CH3 | HH31 | 124.5° | 109.4° |
| C | CH3 | HH32 | 106.9° | 109.5° |
| C | CH3 | HH33 | 106.9° | 109.5° |
| HH31 | CH3 | HH32 | 106.9° | 109.5° |
| HH31 | CH3 | HH33 | 106.8° | 109.5° |
| HH32 | CH3 | HH33 | 102.8° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1A | C2A | N3A | H2A | 180.0° | 180.0° |
| N1A | C2A | N3A | C4A | 4.4° | 0.3° |
| C2A | N1A | C6A | C5A | 2.5° | 0.1° |
| C2A | N1A | C6A | N6A | 176.3° | 180.0° |
| C6A | N1A | C2A | N3A | 4.9° | 0.0° |
| C6A | N1A | C2A | H2A | 175.1° | 180.0° |
| N1A | C6A | C5A | C4A | 0.5° | 0.4° |
| N1A | C6A | C5A | N6A | 178.7° | 179.9° |
| N1A | C6A | C5A | N7A | 178.0° | 180.0° |
| N1A | C6A | N6A | H61A | 180.0° | 0.1° |
| N1A | C6A | N6A | H62A | 54.7° | 180.0° |
| C2A | N3A | C4A | C5A | 2.2° | 0.6° |
| C2A | N3A | C4A | N9A | 177.0° | 179.5° |
| H2A | C2A | N3A | C4A | 175.6° | 179.7° |
| N3A | C4A | C5A | N9A | 179.4° | 179.2° |
| N3A | C4A | C5A | C6A | 0.5° | 0.6° |
| N3A | C4A | C5A | N7A | 178.5° | 179.6° |
| N3A | C4A | N9A | C8A | 177.5° | 179.4° |
| N3A | C4A | N9A | C1B | 20.5° | 0.9° |
| C4A | C5A | C6A | N7A | 177.4° | 179.7° |
| C4A | C5A | C6A | N6A | 178.2° | 179.7° |
| C4A | C5A | N7A | C8A | 0.5° | 0.3° |
| C5A | C4A | N9A | C8A | 1.9° | 0.4° |
| C5A | C4A | N9A | C1B | 160.1° | 179.9° |
| N9A | C4A | C5A | C6A | 178.9° | 179.8° |
| N9A | C4A | C5A | N7A | 0.9° | 0.4° |
| C4A | N9A | C8A | N7A | 2.4° | 0.3° |
| C4A | N9A | C8A | C1B | 161.4° | 179.7° |
| C4A | N9A | C8A | H8A | 177.7° | 179.7° |
| C4A | N9A | C1B | C2B | 113.5° | 94.1° |
| C4A | N9A | C1B | O4B | 133.6° | 151.8° |
| C4A | N9A | C1B | H1B | 8.8° | 28.9° |
| C5A | C6A | N6A | H61A | 1.3° | 180.0° |
| C5A | C6A | N6A | H62A | 123.9° | 0.1° |
| C6A | C5A | N7A | C8A | 177.1° | 180.0° |
| N7A | C5A | C6A | N6A | 0.8° | 0.0° |
| C5A | N7A | C8A | N9A | 1.7° | 0.0° |
| C5A | N7A | C8A | H8A | 178.3° | 180.0° |
| C6A | N6A | H61A | H62A | 125.3° | 180.0° |
| N7A | C8A | N9A | H8A | 180.0° | 179.9° |
| N7A | C8A | N9A | C1B | 159.1° | 180.0° |
| C8A | N9A | C1B | C2B | 45.0° | 85.6° |
| C8A | N9A | C1B | O4B | 67.9° | 28.6° |
| C8A | N9A | C1B | H1B | 167.3° | 151.5° |
| H8A | C8A | N9A | C1B | 20.9° | 0.0° |
| N9A | C1B | C2B | O4B | 115.2° | 118.5° |
| N9A | C1B | C2B | H1B | 120.3° | 122.9° |
| N9A | C1B | O4B | H1B | 120.0° | 122.8° |
| N9A | C1B | C2B | O2B | 78.4° | 86.2° |
| N9A | C1B | C2B | C3B | 165.9° | 155.7° |
| N9A | C1B | C2B | H2B | 42.3° | 37.4° |
| N9A | C1B | O4B | C4B | 149.5° | 158.7° |
| C2B | C1B | O4B | H1B | 121.7° | 118.5° |
| C1B | C2B | O2B | C3B | 104.1° | 112.6° |
| C1B | C2B | O2B | H2B | 129.5° | 123.7° |
| C1B | C2B | C3B | H2B | 128.0° | 118.3° |
| C1B | C2B | O2B | HO2A | 180.0° | 61.6° |
| C1B | C2B | C3B | O3B | 69.2° | 97.9° |
| C1B | C2B | C3B | C4B | 50.0° | 21.0° |
| C1B | C2B | C3B | H3B | 172.6° | 139.6° |
| C2B | C1B | O4B | C4B | 31.3° | 40.1° |
| O4B | C1B | C2B | O2B | 166.4° | 155.2° |
| O4B | C1B | C2B | C3B | 50.7° | 37.1° |
| O4B | C1B | C2B | H2B | 72.9° | 81.1° |
| C1B | O4B | C4B | C3B | 1.7° | 26.4° |
| C1B | O4B | C4B | C5B | 126.7° | 145.9° |
| C1B | O4B | C4B | H4B | 118.2° | 93.0° |
| H1B | C1B | C2B | O2B | 41.9° | 36.7° |
| H1B | C1B | C2B | C3B | 73.7° | 81.4° |
| H1B | C1B | C2B | H2B | 162.6° | 160.3° |
| H1B | C1B | O4B | C4B | 90.4° | 78.4° |
| O2B | C2B | C3B | H2B | 122.0° | 123.6° |
| O2B | C2B | C3B | O3B | 40.8° | 20.2° |
| O2B | C2B | C3B | C4B | 160.1° | 139.1° |
| O2B | C2B | C3B | H3B | 77.4° | 102.3° |
| C3B | C2B | O2B | HO2A | 75.9° | 174.2° |
| C2B | C3B | O3B | C4B | 110.8° | 114.7° |
| C2B | C3B | O3B | H3B | 125.6° | 122.6° |
| C2B | C3B | C4B | H3B | 124.9° | 118.6° |
| C2B | C3B | O3B | P3B | 144.1° | 121.5° |
| C2B | C3B | C4B | O4B | 32.9° | 1.9° |
| C2B | C3B | C4B | C5B | 85.0° | 121.4° |
| C2B | C3B | C4B | H4B | 160.2° | 117.6° |
| H2B | C2B | O2B | HO2A | 50.5° | 62.1° |
| H2B | C2B | C3B | O3B | 162.8° | 143.9° |
| H2B | C2B | C3B | C4B | 78.0° | 97.2° |
| H2B | C2B | C3B | H3B | 44.6° | 21.3° |
| O3B | C3B | C4B | H3B | 118.6° | 122.7° |
| C3B | O3B | P3B | O7A | 54.7° | 60.0° |
| C3B | O3B | P3B | O8A | 171.4° | 180.0° |
| C3B | O3B | P3B | O9A | 66.9° | 60.0° |
| O3B | C3B | C4B | O4B | 83.6° | 120.6° |
| O3B | C3B | C4B | C5B | 158.5° | 119.9° |
| O3B | C3B | C4B | H4B | 43.6° | 1.1° |
| C4B | C3B | O3B | P3B | 105.1° | 123.8° |
| C3B | C4B | O4B | C5B | 128.4° | 119.5° |
| C3B | C4B | O4B | H4B | 116.5° | 119.5° |
| C3B | C4B | C5B | H4B | 116.1° | 121.1° |
| C3B | C4B | C5B | O5B | 39.2° | 179.7° |
| C3B | C4B | C5B | H51A | 164.4° | 59.6° |
| C3B | C4B | C5B | H52A | 86.1° | 60.3° |
| H3B | C3B | O3B | P3B | 18.5° | 1.1° |
| H3B | C3B | C4B | O4B | 157.8° | 116.7° |
| H3B | C3B | C4B | C5B | 39.9° | 2.8° |
| H3B | C3B | C4B | H4B | 74.9° | 123.8° |
| O3B | P3B | O7A | O8A | 118.8° | 120.0° |
| O3B | P3B | O7A | O9A | 117.8° | 120.0° |
| O3B | P3B | O8A | O9A | 117.7° | 120.0° |
| O3B | P3B | O8A | HOA8 | 179.9° | 180.0° |
| O3B | P3B | O9A | HOA9 | 179.9° | 60.0° |
| O7A | P3B | O8A | O9A | 123.2° | 120.0° |
| O7A | P3B | O8A | HOA8 | 60.8° | 60.0° |
| O7A | P3B | O9A | HOA9 | 59.7° | 180.0° |
| O8A | P3B | O9A | HOA9 | 60.2° | 60.0° |
| O9A | P3B | O8A | HOA8 | 62.4° | 60.0° |
| O4B | C4B | C5B | H4B | 127.2° | 121.0° |
| O4B | C4B | C5B | O5B | 77.5° | 61.7° |
| O4B | C4B | C5B | H51A | 47.7° | 58.3° |
| O4B | C4B | C5B | H52A | 157.2° | 178.2° |
| C4B | C5B | O5B | H51A | 125.3° | 120.0° |
| C4B | C5B | O5B | H52A | 125.3° | 120.0° |
| C4B | C5B | H51A | H52A | 119.7° | 119.9° |
| C4B | C5B | O5B | P1A | 141.2° | 180.0° |
| H4B | C4B | C5B | O5B | 155.3° | 59.3° |
| H4B | C4B | C5B | H51A | 79.5° | 179.3° |
| H4B | C4B | C5B | H52A | 30.0° | 60.8° |
| O5B | C5B | H51A | H52A | 119.6° | 120.0° |
| C5B | O5B | P1A | O1A | 78.2° | 60.0° |
| C5B | O5B | P1A | O2A | 53.7° | 60.0° |
| C5B | O5B | P1A | O3A | 170.4° | 180.0° |
| H51A | C5B | O5B | P1A | 15.9° | 60.0° |
| H52A | C5B | O5B | P1A | 93.6° | 59.9° |
| O5B | P1A | O1A | O2A | 127.9° | 120.0° |
| O5B | P1A | O1A | O3A | 110.1° | 120.0° |
| O5B | P1A | O2A | O3A | 113.7° | 120.0° |
| O5B | P1A | O2A | HOA2 | 180.0° | 60.1° |
| O5B | P1A | O3A | P2A | 86.3° | 180.0° |
| O1A | P1A | O2A | O3A | 120.3° | 120.0° |
| O1A | P1A | O2A | HOA2 | 54.1° | 179.9° |
| O1A | P1A | O3A | P2A | 26.7° | 60.0° |
| O2A | P1A | O3A | P2A | 154.9° | 60.0° |
| O3A | P1A | O2A | HOA2 | 66.3° | 60.0° |
| P1A | O3A | P2A | O4A | 78.3° | 60.0° |
| P1A | O3A | P2A | O5A | 50.0° | 60.0° |
| P1A | O3A | P2A | O6A | 166.9° | 180.0° |
| O3A | P2A | O4A | O5A | 128.4° | 120.0° |
| O3A | P2A | O4A | O6A | 105.8° | 119.9° |
| O3A | P2A | O5A | O6A | 107.4° | 120.0° |
| O3A | P2A | O5A | HOA5 | 180.0° | 60.0° |
| O3A | P2A | O6A | CCP | 70.6° | 180.0° |
| O4A | P2A | O5A | O6A | 125.0° | 120.0° |
| O4A | P2A | O5A | HOA5 | 52.4° | 180.0° |
| O4A | P2A | O6A | CCP | 45.0° | 60.0° |
| O5A | P2A | O6A | CCP | 171.5° | 60.0° |
| O6A | P2A | O5A | HOA5 | 72.6° | 60.0° |
| P2A | O6A | CCP | CBP | 164.6° | 179.9° |
| P2A | O6A | CCP | H121 | 39.3° | 60.0° |
| P2A | O6A | CCP | H122 | 70.2° | 60.0° |
| O6A | CCP | CBP | H121 | 125.3° | 120.0° |
| O6A | CCP | CBP | H122 | 125.2° | 120.0° |
| O6A | CCP | CBP | CDP | 159.2° | 60.0° |
| O6A | CCP | CBP | CEP | 40.1° | 60.0° |
| O6A | CCP | CBP | CAP | 78.7° | 180.0° |
| O6A | CCP | H121 | H122 | 118.6° | 120.0° |
| CCP | CBP | CDP | CEP | 113.3° | 120.0° |
| CCP | CBP | CDP | CAP | 119.6° | 120.0° |
| CCP | CBP | CEP | CAP | 114.0° | 120.1° |
| CBP | CCP | H121 | H122 | 118.6° | 120.0° |
| CCP | CBP | CDP | H131 | 180.0° | 67.4° |
| CCP | CBP | CDP | H132 | 54.7° | 172.6° |
| CCP | CBP | CDP | H133 | 54.8° | 52.6° |
| CCP | CBP | CEP | H141 | 180.0° | 60.0° |
| CCP | CBP | CEP | H142 | 54.8° | 60.0° |
| CCP | CBP | CEP | H143 | 54.7° | 180.0° |
| CCP | CBP | CAP | OAP | 63.2° | 55.1° |
| CCP | CBP | CAP | C9P | 167.3° | 175.1° |
| CCP | CBP | CAP | H10 | 53.8° | 64.9° |
| CDP | CBP | CEP | CAP | 125.9° | 119.9° |
| CDP | CBP | CCP | H121 | 75.5° | 180.0° |
| CDP | CBP | CCP | H122 | 34.0° | 60.0° |
| CBP | CDP | H131 | H132 | 125.3° | 120.1° |
| CBP | CDP | H131 | H133 | 125.2° | 119.9° |
| CBP | CDP | H132 | H133 | 117.0° | 120.0° |
| CDP | CBP | CEP | H141 | 59.8° | 180.0° |
| CDP | CBP | CEP | H142 | 65.4° | 60.1° |
| CDP | CBP | CEP | H143 | 174.9° | 60.0° |
| CDP | CBP | CAP | OAP | 59.9° | 175.0° |
| CDP | CBP | CAP | C9P | 69.6° | 65.0° |
| CDP | CBP | CAP | H10 | 177.0° | 55.0° |
| CEP | CBP | CCP | H121 | 165.4° | 60.0° |
| CEP | CBP | CCP | H122 | 85.1° | 180.0° |
| CEP | CBP | CDP | H131 | 66.6° | 172.6° |
| CEP | CBP | CDP | H132 | 168.1° | 52.6° |
| CEP | CBP | CDP | H133 | 58.5° | 67.4° |
| CBP | CEP | H141 | H142 | 125.3° | 119.9° |
| CBP | CEP | H141 | H143 | 125.3° | 120.0° |
| CBP | CEP | H142 | H143 | 121.1° | 120.0° |
| CEP | CBP | CAP | OAP | 174.1° | 65.0° |
| CEP | CBP | CAP | C9P | 56.4° | 55.0° |
| CEP | CBP | CAP | H10 | 57.0° | 175.0° |
| CAP | CBP | CCP | H121 | 46.6° | 60.0° |
| CAP | CBP | CCP | H122 | 156.1° | 60.0° |
| CAP | CBP | CDP | H131 | 60.4° | 52.6° |
| CAP | CBP | CDP | H132 | 64.9° | 67.4° |
| CAP | CBP | CDP | H133 | 174.4° | 172.6° |
| CAP | CBP | CEP | H141 | 66.0° | 60.0° |
| CAP | CBP | CEP | H142 | 168.8° | 180.0° |
| CAP | CBP | CEP | H143 | 59.3° | 60.0° |
| CBP | CAP | OAP | C9P | 130.7° | 120.0° |
| CBP | CAP | OAP | H10 | 115.4° | 120.0° |
| CBP | CAP | C9P | H10 | 114.6° | 120.1° |
| CBP | CAP | OAP | HO1 | 180.0° | 59.9° |
| CBP | CAP | C9P | O9P | 84.1° | 105.8° |
| CBP | CAP | C9P | N8P | 97.4° | 74.2° |
| H131 | CDP | H132 | H133 | 116.8° | 120.0° |
| H141 | CEP | H142 | H143 | 121.1° | 120.1° |
| OAP | CAP | C9P | H10 | 116.7° | 119.9° |
| OAP | CAP | C9P | O9P | 147.3° | 14.2° |
| OAP | CAP | C9P | N8P | 31.3° | 165.7° |
| C9P | CAP | OAP | HO1 | 49.3° | 60.1° |
| CAP | C9P | O9P | N8P | 178.4° | 180.0° |
| CAP | C9P | N8P | C7P | 168.8° | 179.1° |
| CAP | C9P | N8P | HN8 | 11.1° | 1.0° |
| H10 | CAP | OAP | HO1 | 64.6° | 180.0° |
| H10 | CAP | C9P | O9P | 30.5° | 134.1° |
| H10 | CAP | C9P | N8P | 148.0° | 45.8° |
| O9P | C9P | N8P | C7P | 12.7° | 0.9° |
| O9P | C9P | N8P | HN8 | 167.3° | 179.0° |
| C9P | N8P | C7P | HN8 | 179.9° | 179.9° |
| C9P | N8P | C7P | C6P | 70.8° | 180.0° |
| C9P | N8P | C7P | H71 | 54.4° | 60.0° |
| C9P | N8P | C7P | H72 | 164.0° | 60.0° |
| N8P | C7P | C6P | H71 | 125.2° | 120.0° |
| N8P | C7P | C6P | H72 | 125.3° | 120.1° |
| N8P | C7P | H71 | H72 | 117.9° | 120.0° |
| N8P | C7P | C6P | C5P | 81.5° | 180.0° |
| N8P | C7P | C6P | H61 | 43.8° | 60.0° |
| N8P | C7P | C6P | H62 | 153.3° | 59.9° |
| HN8 | N8P | C7P | C6P | 109.2° | 0.1° |
| HN8 | N8P | C7P | H71 | 125.6° | 120.1° |
| HN8 | N8P | C7P | H72 | 16.1° | 120.0° |
| C6P | C7P | H71 | H72 | 117.8° | 120.0° |
| C7P | C6P | C5P | H61 | 125.3° | 120.0° |
| C7P | C6P | C5P | H62 | 125.3° | 120.1° |
| C7P | C6P | H61 | H62 | 117.1° | 119.9° |
| C7P | C6P | C5P | O5P | 40.6° | 0.0° |
| C7P | C6P | C5P | N4P | 145.9° | 180.0° |
| H71 | C7P | C6P | C5P | 153.3° | 60.0° |
| H71 | C7P | C6P | H61 | 81.5° | 179.9° |
| H71 | C7P | C6P | H62 | 28.0° | 60.1° |
| H72 | C7P | C6P | C5P | 43.8° | 59.9° |
| H72 | C7P | C6P | H61 | 169.1° | 60.1° |
| H72 | C7P | C6P | H62 | 81.5° | 179.9° |
| C5P | C6P | H61 | H62 | 117.0° | 120.1° |
| C6P | C5P | O5P | N4P | 173.1° | 180.0° |
| C6P | C5P | N4P | C3P | 174.6° | 180.0° |
| C6P | C5P | N4P | HN4 | 5.4° | 0.1° |
| H61 | C6P | C5P | O5P | 165.8° | 120.0° |
| H61 | C6P | C5P | N4P | 20.6° | 60.0° |
| H62 | C6P | C5P | O5P | 84.7° | 120.0° |
| H62 | C6P | C5P | N4P | 88.8° | 60.0° |
| O5P | C5P | N4P | C3P | 11.7° | 0.0° |
| O5P | C5P | N4P | HN4 | 168.3° | 179.9° |
| C5P | N4P | C3P | HN4 | 180.0° | 179.9° |
| C5P | N4P | C3P | C2P | 83.7° | 180.0° |
| C5P | N4P | C3P | H31 | 151.0° | 60.0° |
| C5P | N4P | C3P | H32 | 41.6° | 60.0° |
| N4P | C3P | C2P | H31 | 125.3° | 120.0° |
| N4P | C3P | C2P | H32 | 125.3° | 120.0° |
| N4P | C3P | H31 | H32 | 117.0° | 120.0° |
| N4P | C3P | C2P | S1P | 176.0° | 180.0° |
| N4P | C3P | C2P | H21 | 58.8° | 60.0° |
| N4P | C3P | C2P | H22 | 50.8° | 60.0° |
| HN4 | N4P | C3P | C2P | 96.3° | 0.1° |
| HN4 | N4P | C3P | H31 | 29.0° | 119.9° |
| HN4 | N4P | C3P | H32 | 138.4° | 120.1° |
| C2P | C3P | H31 | H32 | 117.0° | 120.0° |
| C3P | C2P | S1P | H21 | 125.2° | 120.0° |
| C3P | C2P | S1P | H22 | 125.2° | 120.0° |
| C3P | C2P | H21 | H22 | 118.4° | 120.0° |
| C3P | C2P | S1P | C | 45.5° | 180.0° |
| H31 | C3P | C2P | S1P | 50.7° | 60.0° |
| H31 | C3P | C2P | H21 | 176.0° | 180.0° |
| H31 | C3P | C2P | H22 | 74.5° | 60.0° |
| H32 | C3P | C2P | S1P | 58.7° | 60.0° |
| H32 | C3P | C2P | H21 | 66.6° | 60.0° |
| H32 | C3P | C2P | H22 | 176.1° | 180.0° |
| S1P | C2P | H21 | H22 | 118.4° | 120.1° |
| C2P | S1P | C | O | 35.1° | 0.0° |
| C2P | S1P | C | CH3 | 136.6° | 180.0° |
| H21 | C2P | S1P | C | 170.7° | 60.0° |
| H22 | C2P | S1P | C | 79.7° | 60.0° |
| S1P | C | O | CH3 | 171.7° | 179.9° |
| S1P | C | CH3 | HH31 | 180.0° | 180.0° |
| S1P | C | CH3 | HH32 | 54.8° | 60.0° |
| S1P | C | CH3 | HH33 | 54.8° | 60.0° |
| O | C | CH3 | HH31 | 9.5° | 0.1° |
| O | C | CH3 | HH32 | 115.8° | 120.0° |
| O | C | CH3 | HH33 | 134.7° | 120.0° |
| C | CH3 | HH31 | HH32 | 125.3° | 120.0° |
| C | CH3 | HH31 | HH33 | 125.2° | 120.0° |
| C | CH3 | HH32 | HH33 | 112.4° | 120.0° |
| HH31 | CH3 | HH32 | HH33 | 112.3° | 120.1° |
