CIC
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 | 1.34Å | Aromatic |
| C4A | C5A | doub | 1.40Å | 1.41Å | Aromatic |
| C4A | N9A | sing | 1.37Å | 1.40Å | Aromatic |
| C5A | C6A | sing | 1.41Å | 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 | 1.32Å | Aromatic |
| C8A | N9A | sing | 1.36Å | 1.40Å | Aromatic |
| C8A | H8A | sing | 1.08Å | 1.10Å | |
| N9A | C1B | sing | 1.46Å | 1.50Å | |
| C1B | C2B | sing | 1.55Å | 1.50Å | |
| C1B | O4B | sing | 1.44Å | 1.44Å | |
| C1B | H1B | sing | 1.09Å | 1.11Å | |
| C2B | O2B | sing | 1.43Å | 1.43Å | |
| 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 | 1.42Å | |
| C3B | C4B | sing | 1.54Å | 1.55Å | |
| C3B | H3B | sing | 1.09Å | 1.12Å | |
| O3B | P3B | sing | 1.61Å | 1.71Å | |
| P3B | O7A | doub | 1.48Å | 1.59Å | |
| P3B | O8A | sing | 1.61Å | 1.60Å | |
| 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 | 1.49Å | |
| C4B | C5B | sing | 1.53Å | 1.54Å | |
| C4B | H4B | sing | 1.09Å | 1.11Å | |
| C5B | O5B | sing | 1.43Å | 1.47Å | |
| C5B | H51A | sing | 1.09Å | 1.11Å | |
| C5B | H52A | sing | 1.09Å | 1.11Å | |
| O5B | P1A | sing | 1.61Å | 1.62Å | |
| P1A | O1A | doub | 1.48Å | 1.51Å | |
| P1A | O2A | sing | 1.61Å | 1.51Å | |
| P1A | O3A | sing | 1.61Å | 1.58Å | |
| O2A | HOA2 | sing | 0.97Å | 0.95Å | |
| O3A | P2A | sing | 1.61Å | 1.65Å | |
| P2A | O4A | doub | 1.48Å | 1.55Å | |
| P2A | O5A | sing | 1.61Å | 1.55Å | |
| P2A | O6A | sing | 1.61Å | 1.62Å | |
| O5A | HOA5 | sing | 0.97Å | 0.95Å | |
| O6A | CCP | sing | 1.43Å | 1.40Å | |
| CBP | CCP | sing | 1.53Å | 1.52Å | |
| CBP | CDP | sing | 1.53Å | 1.55Å | |
| CBP | CEP | sing | 1.53Å | 1.53Å | |
| CBP | CAP | sing | 1.53Å | 1.55Å | |
| CCP | H121 | sing | 1.09Å | 1.11Å | |
| CCP | H122 | sing | 1.09Å | 1.12Å | |
| 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 | 1.44Å | |
| 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 | 1.30Å | |
| C9P | N8P | sing | 1.35Å | 1.34Å | |
| N8P | C7P | sing | 1.46Å | 1.46Å | |
| N8P | HN8 | sing | 0.97Å | 1.02Å | |
| C7P | C6P | sing | 1.53Å | 1.53Å | |
| C7P | H71 | sing | 1.09Å | 1.11Å | |
| C7P | H72 | sing | 1.09Å | 1.11Å | |
| C6P | C5P | sing | 1.51Å | 1.50Å | |
| C6P | H61 | sing | 1.09Å | 1.12Å | |
| C6P | H62 | sing | 1.09Å | 1.12Å | |
| C5P | O5P | doub | 1.21Å | 1.26Å | |
| C5P | N4P | sing | 1.35Å | 1.28Å | |
| N4P | C3P | sing | 1.46Å | 1.50Å | |
| N4P | HN4 | sing | 0.97Å | 1.02Å | |
| C3P | C2P | sing | 1.53Å | 1.53Å | |
| C3P | H31 | sing | 1.09Å | 1.12Å | |
| C3P | H32 | sing | 1.09Å | 1.11Å | |
| C2P | S1P | sing | 1.81Å | 1.80Å | |
| C2P | H21 | sing | 1.09Å | 1.12Å | |
| C2P | H22 | sing | 1.09Å | 1.12Å | |
| S1P | C1P | sing | 1.81Å | 1.81Å | |
| C1P | C1 | sing | 1.53Å | 1.50Å | |
| C1P | H11 | sing | 1.09Å | 1.12Å | |
| C1P | H12 | sing | 1.09Å | 1.12Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | H111 | sing | 1.09Å | 1.12Å | |
| C1 | H123 | sing | 1.09Å | 1.11Å | |
| C2 | O2 | sing | 1.43Å | 1.45Å | |
| C2 | C3 | sing | 1.51Å | 1.53Å | |
| C2 | C4 | sing | 1.53Å | 1.48Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | O31 | doub | 1.21Å | 1.23Å | |
| C3 | O32 | sing | 1.34Å | 1.25Å | |
| O32 | HO32 | sing | 0.97Å | 0.95Å | |
| C4 | C5 | sing | 1.51Å | 1.49Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | O51 | doub | 1.21Å | 1.26Å | |
| C5 | O52 | sing | 1.34Å | 1.28Å | |
| O52 | HO52 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2A | N1A | C6A | 122.1° | 121.2° |
| N1A | C2A | N3A | 126.6° | 122.5° |
| N1A | C2A | H2A | 118.9° | 118.8° |
| N1A | C6A | C5A | 114.6° | 118.4° |
| N1A | C6A | N6A | 119.7° | 120.8° |
| N3A | C2A | H2A | 114.5° | 118.8° |
| C2A | N3A | C4A | 113.3° | 120.6° |
| N3A | C4A | C5A | 126.5° | 119.1° |
| N3A | C4A | N9A | 128.3° | 134.9° |
| C5A | C4A | N9A | 105.3° | 106.0° |
| C4A | C5A | C6A | 116.9° | 118.2° |
| C4A | C5A | N7A | 110.8° | 107.1° |
| C4A | N9A | C8A | 105.6° | 107.4° |
| C4A | N9A | C1B | 127.3° | 126.3° |
| C6A | C5A | N7A | 132.3° | 134.7° |
| C5A | C6A | N6A | 125.6° | 120.8° |
| C5A | N7A | C8A | 105.4° | 109.5° |
| C6A | N6A | H61A | 119.7° | 120.1° |
| C6A | N6A | H62A | 108.6° | 120.1° |
| H61A | N6A | H62A | 108.6° | 119.9° |
| N7A | C8A | N9A | 112.9° | 110.0° |
| N7A | C8A | H8A | 121.3° | 125.1° |
| N9A | C8A | H8A | 125.9° | 125.0° |
| C8A | N9A | C1B | 125.2° | 126.3° |
| N9A | C1B | C2B | 111.9° | 110.8° |
| N9A | C1B | O4B | 109.9° | 110.6° |
| N9A | C1B | H1B | 105.0° | 110.6° |
| C2B | C1B | O4B | 99.9° | 103.5° |
| C2B | C1B | H1B | 114.2° | 110.6° |
| C1B | C2B | O2B | 106.7° | 110.9° |
| C1B | C2B | C3B | 99.2° | 102.1° |
| C1B | C2B | H2B | 117.5° | 110.9° |
| O4B | C1B | H1B | 116.2° | 110.6° |
| C1B | O4B | C4B | 107.0° | 107.0° |
| O2B | C2B | C3B | 109.4° | 110.8° |
| O2B | C2B | H2B | 108.4° | 110.9° |
| C2B | O2B | HO2A | 106.8° | 106.8° |
| C3B | C2B | H2B | 115.0° | 111.0° |
| C2B | C3B | O3B | 111.9° | 110.5° |
| C2B | C3B | C4B | 99.6° | 104.1° |
| C2B | C3B | H3B | 118.7° | 110.5° |
| O3B | C3B | C4B | 120.0° | 110.8° |
| O3B | C3B | H3B | 97.7° | 110.4° |
| C3B | O3B | P3B | 126.7° | 106.8° |
| C4B | C3B | H3B | 110.3° | 110.4° |
| C3B | C4B | O4B | 104.3° | 107.4° |
| C3B | C4B | C5B | 119.3° | 109.9° |
| C3B | C4B | H4B | 105.1° | 109.9° |
| O3B | P3B | O7A | 119.5° | 109.5° |
| O3B | P3B | O8A | 83.6° | 109.5° |
| O3B | P3B | O9A | 109.8° | 109.5° |
| O7A | P3B | O8A | 108.1° | 109.5° |
| O7A | P3B | O9A | 116.7° | 109.5° |
| O8A | P3B | O9A | 114.7° | 109.4° |
| P3B | O8A | HOA8 | 83.6° | 106.8° |
| P3B | O9A | HOA9 | 109.8° | 106.8° |
| O4B | C4B | C5B | 104.5° | 109.8° |
| O4B | C4B | H4B | 119.8° | 109.9° |
| C5B | C4B | H4B | 104.9° | 109.9° |
| C4B | C5B | O5B | 104.2° | 109.5° |
| C4B | C5B | H51A | 114.2° | 109.5° |
| C4B | C5B | H52A | 114.2° | 109.4° |
| O5B | C5B | H51A | 114.2° | 109.5° |
| O5B | C5B | H52A | 114.2° | 109.5° |
| C5B | O5B | P1A | 122.6° | 106.8° |
| H51A | C5B | H52A | 96.3° | 109.4° |
| O5B | P1A | O1A | 110.7° | 109.4° |
| O5B | P1A | O2A | 109.3° | 109.5° |
| O5B | P1A | O3A | 102.7° | 109.4° |
| O1A | P1A | O2A | 119.2° | 109.5° |
| O1A | P1A | O3A | 110.2° | 109.4° |
| O2A | P1A | O3A | 103.3° | 109.5° |
| P1A | O2A | HOA2 | 109.3° | 106.8° |
| P1A | O3A | P2A | 134.4° | 106.8° |
| O3A | P2A | O4A | 109.2° | 109.4° |
| O3A | P2A | O5A | 115.1° | 109.5° |
| O3A | P2A | O6A | 100.5° | 109.5° |
| O4A | P2A | O5A | 112.0° | 109.5° |
| O4A | P2A | O6A | 112.0° | 109.4° |
| O5A | P2A | O6A | 107.6° | 109.5° |
| P2A | O5A | HOA5 | 115.1° | 106.9° |
| P2A | O6A | CCP | 117.6° | 106.8° |
| O6A | CCP | CBP | 107.6° | 109.5° |
| O6A | CCP | H121 | 112.9° | 109.4° |
| O6A | CCP | H122 | 112.9° | 109.5° |
| CCP | CBP | CDP | 111.1° | 109.5° |
| CCP | CBP | CEP | 104.8° | 109.5° |
| CCP | CBP | CAP | 108.6° | 109.5° |
| CBP | CCP | H121 | 112.9° | 109.5° |
| CBP | CCP | H122 | 112.9° | 109.5° |
| CDP | CBP | CEP | 112.1° | 109.5° |
| CDP | CBP | CAP | 110.7° | 109.5° |
| CBP | CDP | H131 | 111.2° | 109.4° |
| CBP | CDP | H132 | 111.6° | 109.5° |
| CBP | CDP | H133 | 111.6° | 109.5° |
| CEP | CBP | CAP | 109.3° | 109.4° |
| CBP | CEP | H141 | 104.8° | 109.5° |
| CBP | CEP | H142 | 114.0° | 109.5° |
| CBP | CEP | H143 | 114.0° | 109.5° |
| CBP | CAP | OAP | 108.5° | 109.5° |
| CBP | CAP | C9P | 111.1° | 109.5° |
| CBP | CAP | H10 | 110.6° | 109.4° |
| H121 | CCP | H122 | 97.6° | 109.4° |
| H131 | CDP | H132 | 111.6° | 109.5° |
| H131 | CDP | H133 | 111.5° | 109.5° |
| H132 | CDP | H133 | 98.8° | 109.5° |
| H141 | CEP | H142 | 113.9° | 109.5° |
| H141 | CEP | H143 | 114.0° | 109.5° |
| H142 | CEP | H143 | 96.5° | 109.5° |
| OAP | CAP | C9P | 113.8° | 109.5° |
| OAP | CAP | H10 | 107.8° | 109.5° |
| CAP | OAP | HO1 | 108.4° | 106.8° |
| C9P | CAP | H10 | 105.0° | 109.5° |
| CAP | C9P | O9P | 120.4° | 119.9° |
| CAP | C9P | N8P | 117.8° | 120.0° |
| O9P | C9P | N8P | 121.6° | 120.0° |
| C9P | N8P | C7P | 121.5° | 120.0° |
| C9P | N8P | HN8 | 114.8° | 120.0° |
| C7P | N8P | HN8 | 123.7° | 119.9° |
| N8P | C7P | C6P | 111.2° | 109.5° |
| N8P | C7P | H71 | 111.6° | 109.5° |
| N8P | C7P | H72 | 111.6° | 109.4° |
| C6P | C7P | H71 | 111.5° | 109.5° |
| C6P | C7P | H72 | 111.5° | 109.4° |
| C7P | C6P | C5P | 111.5° | 109.5° |
| C7P | C6P | H61 | 111.5° | 109.5° |
| C7P | C6P | H62 | 111.5° | 109.4° |
| H71 | C7P | H72 | 98.9° | 109.5° |
| C5P | C6P | H61 | 111.4° | 109.5° |
| C5P | C6P | H62 | 111.5° | 109.4° |
| C6P | C5P | O5P | 123.8° | 120.0° |
| C6P | C5P | N4P | 115.9° | 120.0° |
| H61 | C6P | H62 | 98.9° | 109.5° |
| O5P | C5P | N4P | 120.3° | 119.9° |
| C5P | N4P | C3P | 116.6° | 120.0° |
| C5P | N4P | HN4 | 114.6° | 120.0° |
| C3P | N4P | HN4 | 128.8° | 120.0° |
| N4P | C3P | C2P | 115.3° | 109.5° |
| N4P | C3P | H31 | 110.1° | 109.4° |
| N4P | C3P | H32 | 110.1° | 109.5° |
| C2P | C3P | H31 | 110.1° | 109.4° |
| C2P | C3P | H32 | 110.1° | 109.5° |
| C3P | C2P | S1P | 108.4° | 109.5° |
| C3P | C2P | H21 | 112.6° | 109.4° |
| C3P | C2P | H22 | 112.6° | 109.5° |
| H31 | C3P | H32 | 100.2° | 109.5° |
| S1P | C2P | H21 | 112.6° | 109.5° |
| S1P | C2P | H22 | 112.5° | 109.4° |
| C2P | S1P | C1P | 104.8° | 100.0° |
| H21 | C2P | H22 | 97.8° | 109.5° |
| S1P | C1P | C1 | 111.9° | 109.5° |
| S1P | C1P | H11 | 111.4° | 109.5° |
| S1P | C1P | H12 | 111.4° | 109.4° |
| C1 | C1P | H11 | 111.3° | 109.5° |
| C1 | C1P | H12 | 111.3° | 109.4° |
| C1P | C1 | C2 | 144.6° | 109.5° |
| C1P | C1 | H111 | 100.4° | 109.4° |
| C1P | C1 | H123 | 100.4° | 109.4° |
| H11 | C1P | H12 | 99.0° | 109.6° |
| C2 | C1 | H111 | 100.5° | 109.5° |
| C2 | C1 | H123 | 100.5° | 109.5° |
| C1 | C2 | O2 | 108.0° | 109.4° |
| C1 | C2 | C3 | 99.7° | 109.4° |
| C1 | C2 | C4 | 102.7° | 109.5° |
| H111 | C1 | H123 | 106.8° | 109.5° |
| O2 | C2 | C3 | 111.0° | 109.5° |
| O2 | C2 | C4 | 119.2° | 109.5° |
| C2 | O2 | HO2 | 108.0° | 106.8° |
| C3 | C2 | C4 | 113.7° | 109.5° |
| C2 | C3 | O31 | 121.9° | 120.0° |
| C2 | C3 | O32 | 114.4° | 120.1° |
| C2 | C4 | C5 | 127.9° | 109.5° |
| C2 | C4 | H41 | 105.8° | 109.4° |
| C2 | C4 | H42 | 105.7° | 109.4° |
| O31 | C3 | O32 | 120.3° | 120.0° |
| C3 | O32 | HO32 | 114.5° | 120.1° |
| C5 | C4 | H41 | 105.8° | 109.5° |
| C5 | C4 | H42 | 105.8° | 109.5° |
| C4 | C5 | O51 | 121.1° | 120.0° |
| C4 | C5 | O52 | 115.8° | 120.0° |
| H41 | C4 | H42 | 103.5° | 109.5° |
| O51 | C5 | O52 | 122.6° | 120.0° |
| C5 | O52 | HO52 | 115.8° | 120.0° |
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 | 3.2° | 0.2° |
| C2A | N1A | C6A | C5A | 3.4° | 0.0° |
| C2A | N1A | C6A | N6A | 178.6° | 180.0° |
| C6A | N1A | C2A | N3A | 4.6° | 0.0° |
| C6A | N1A | C2A | H2A | 175.3° | 180.0° |
| N1A | C6A | C5A | C4A | 1.5° | 0.3° |
| N1A | C6A | C5A | N6A | 174.9° | 180.0° |
| N1A | C6A | C5A | N7A | 177.0° | 180.0° |
| N1A | C6A | N6A | H61A | 180.0° | 0.0° |
| N1A | C6A | N6A | H62A | 54.7° | 180.0° |
| C2A | N3A | C4A | C5A | 1.1° | 0.5° |
| C2A | N3A | C4A | N9A | 179.1° | 179.6° |
| H2A | C2A | N3A | C4A | 176.8° | 179.8° |
| N3A | C4A | C5A | N9A | 178.4° | 179.3° |
| N3A | C4A | C5A | C6A | 0.4° | 0.5° |
| N3A | C4A | C5A | N7A | 178.4° | 179.7° |
| N3A | C4A | N9A | C8A | 177.1° | 179.5° |
| N3A | C4A | N9A | C1B | 17.9° | 0.7° |
| C4A | C5A | C6A | N7A | 178.5° | 179.7° |
| C4A | C5A | C6A | N6A | 176.4° | 179.7° |
| C4A | C5A | N7A | C8A | 1.3° | 0.2° |
| C5A | C4A | N9A | C8A | 1.3° | 0.4° |
| C5A | C4A | N9A | C1B | 163.8° | 179.9° |
| N9A | C4A | C5A | C6A | 178.8° | 179.8° |
| N9A | C4A | C5A | N7A | 0.0° | 0.4° |
| C4A | N9A | C8A | N7A | 2.2° | 0.2° |
| C4A | N9A | C8A | C1B | 165.4° | 179.7° |
| C4A | N9A | C8A | H8A | 177.8° | 179.7° |
| C4A | N9A | C1B | C2B | 111.2° | 94.1° |
| C4A | N9A | C1B | O4B | 138.7° | 151.7° |
| C4A | N9A | C1B | H1B | 13.2° | 28.9° |
| C5A | C6A | N6A | H61A | 5.4° | 180.0° |
| C5A | C6A | N6A | H62A | 119.9° | 0.0° |
| C6A | C5A | N7A | C8A | 177.2° | 180.0° |
| N7A | C5A | C6A | N6A | 2.1° | 0.0° |
| C5A | N7A | C8A | N9A | 2.2° | 0.0° |
| C5A | N7A | C8A | H8A | 177.8° | 180.0° |
| C6A | N6A | H61A | H62A | 125.3° | 180.0° |
| N7A | C8A | N9A | H8A | 180.0° | 180.0° |
| N7A | C8A | N9A | C1B | 163.2° | 180.0° |
| C8A | N9A | C1B | C2B | 51.1° | 85.6° |
| C8A | N9A | C1B | O4B | 59.0° | 28.6° |
| C8A | N9A | C1B | H1B | 175.4° | 151.4° |
| H8A | C8A | N9A | C1B | 16.8° | 0.0° |
| N9A | C1B | C2B | O4B | 116.2° | 118.6° |
| N9A | C1B | C2B | H1B | 119.1° | 122.9° |
| N9A | C1B | O4B | H1B | 118.9° | 122.8° |
| N9A | C1B | C2B | O2B | 76.2° | 86.2° |
| N9A | C1B | C2B | C3B | 170.2° | 155.7° |
| N9A | C1B | C2B | H2B | 45.7° | 37.4° |
| N9A | C1B | O4B | C4B | 157.3° | 158.7° |
| C2B | C1B | O4B | H1B | 123.3° | 118.5° |
| C1B | C2B | O2B | C3B | 106.4° | 112.6° |
| C1B | C2B | O2B | H2B | 127.4° | 123.6° |
| C1B | C2B | C3B | H2B | 126.2° | 118.2° |
| C1B | C2B | O2B | HO2A | 180.0° | 61.5° |
| C1B | C2B | C3B | O3B | 80.8° | 98.0° |
| C1B | C2B | C3B | C4B | 47.0° | 21.0° |
| C1B | C2B | C3B | H3B | 166.6° | 139.5° |
| C2B | C1B | O4B | C4B | 39.5° | 40.0° |
| O4B | C1B | C2B | O2B | 167.5° | 155.2° |
| O4B | C1B | C2B | C3B | 54.0° | 37.1° |
| O4B | C1B | C2B | H2B | 70.6° | 81.2° |
| C1B | O4B | C4B | C3B | 9.5° | 26.4° |
| C1B | O4B | C4B | C5B | 135.4° | 145.9° |
| C1B | O4B | C4B | H4B | 107.6° | 93.1° |
| H1B | C1B | C2B | O2B | 42.9° | 36.7° |
| H1B | C1B | C2B | C3B | 70.7° | 81.4° |
| H1B | C1B | C2B | H2B | 164.8° | 160.4° |
| H1B | C1B | O4B | C4B | 83.8° | 78.4° |
| O2B | C2B | C3B | H2B | 122.3° | 123.7° |
| O2B | C2B | C3B | O3B | 30.6° | 20.2° |
| O2B | C2B | C3B | C4B | 158.5° | 139.2° |
| O2B | C2B | C3B | H3B | 81.9° | 102.3° |
| C3B | C2B | O2B | HO2A | 73.6° | 174.1° |
| C2B | C3B | O3B | C4B | 116.0° | 114.8° |
| C2B | C3B | O3B | H3B | 125.1° | 122.5° |
| C2B | C3B | C4B | H3B | 125.6° | 118.6° |
| C2B | C3B | O3B | P3B | 153.2° | 121.4° |
| C2B | C3B | C4B | O4B | 23.6° | 1.9° |
| C2B | C3B | C4B | C5B | 92.4° | 121.3° |
| C2B | C3B | C4B | H4B | 150.4° | 117.6° |
| H2B | C2B | O2B | HO2A | 52.6° | 62.2° |
| H2B | C2B | C3B | O3B | 152.9° | 143.8° |
| H2B | C2B | C3B | C4B | 79.2° | 97.2° |
| H2B | C2B | C3B | H3B | 40.4° | 21.3° |
| O3B | C3B | C4B | H3B | 112.2° | 122.6° |
| C3B | O3B | P3B | O7A | 169.7° | 60.0° |
| C3B | O3B | P3B | O8A | 83.1° | 180.0° |
| C3B | O3B | P3B | O9A | 30.9° | 60.0° |
| O3B | C3B | C4B | O4B | 98.7° | 120.7° |
| O3B | C3B | C4B | C5B | 145.3° | 119.9° |
| O3B | C3B | C4B | H4B | 28.2° | 1.2° |
| C4B | C3B | O3B | P3B | 90.8° | 123.7° |
| C3B | C4B | O4B | C5B | 125.9° | 119.5° |
| C3B | C4B | O4B | H4B | 117.1° | 119.5° |
| C3B | C4B | C5B | H4B | 117.3° | 121.1° |
| C3B | C4B | C5B | O5B | 45.6° | 179.7° |
| C3B | C4B | C5B | H51A | 170.8° | 59.6° |
| C3B | C4B | C5B | H52A | 79.7° | 60.3° |
| H3B | C3B | O3B | P3B | 28.0° | 1.1° |
| H3B | C3B | C4B | O4B | 149.1° | 116.7° |
| H3B | C3B | C4B | C5B | 33.1° | 2.7° |
| H3B | C3B | C4B | H4B | 84.0° | 123.8° |
| O3B | P3B | O7A | O8A | 92.9° | 120.0° |
| O3B | P3B | O7A | O9A | 136.1° | 120.0° |
| O3B | P3B | O8A | O9A | 108.9° | 120.0° |
| O3B | P3B | O8A | HOA8 | 180.0° | 179.9° |
| O3B | P3B | O9A | HOA9 | 180.0° | 60.0° |
| O7A | P3B | O8A | O9A | 132.1° | 120.0° |
| O7A | P3B | O8A | HOA8 | 61.0° | 60.0° |
| O7A | P3B | O9A | HOA9 | 39.9° | 180.0° |
| O8A | P3B | O9A | HOA9 | 87.9° | 60.0° |
| O9A | P3B | O8A | HOA8 | 71.1° | 60.0° |
| O4B | C4B | C5B | H4B | 126.8° | 121.0° |
| O4B | C4B | C5B | O5B | 70.3° | 61.7° |
| O4B | C4B | C5B | H51A | 54.9° | 58.3° |
| O4B | C4B | C5B | H52A | 164.4° | 178.3° |
| C4B | C5B | O5B | H51A | 125.3° | 120.1° |
| C4B | C5B | O5B | H52A | 125.3° | 119.9° |
| C4B | C5B | H51A | H52A | 120.1° | 119.9° |
| C4B | C5B | O5B | P1A | 133.8° | 180.0° |
| H4B | C4B | C5B | O5B | 162.8° | 59.2° |
| H4B | C4B | C5B | H51A | 71.9° | 179.3° |
| H4B | C4B | C5B | H52A | 37.6° | 60.7° |
| O5B | C5B | H51A | H52A | 120.1° | 120.0° |
| C5B | O5B | P1A | O1A | 53.6° | 60.1° |
| C5B | O5B | P1A | O2A | 79.6° | 60.0° |
| C5B | O5B | P1A | O3A | 171.2° | 180.0° |
| H51A | C5B | O5B | P1A | 8.6° | 59.9° |
| H52A | C5B | O5B | P1A | 100.9° | 60.0° |
| O5B | P1A | O1A | O2A | 128.0° | 120.1° |
| O5B | P1A | O1A | O3A | 112.9° | 119.9° |
| O5B | P1A | O2A | O3A | 108.8° | 120.0° |
| O5B | P1A | O2A | HOA2 | 180.0° | 60.0° |
| O5B | P1A | O3A | P2A | 86.0° | 180.0° |
| O1A | P1A | O2A | O3A | 122.6° | 120.0° |
| O1A | P1A | O2A | HOA2 | 51.4° | 180.0° |
| O1A | P1A | O3A | P2A | 156.1° | 60.1° |
| O2A | P1A | O3A | P2A | 27.7° | 60.0° |
| O3A | P1A | O2A | HOA2 | 71.2° | 60.0° |
| P1A | O3A | P2A | O4A | 71.7° | 60.1° |
| P1A | O3A | P2A | O5A | 55.2° | 60.0° |
| P1A | O3A | P2A | O6A | 170.4° | 180.0° |
| O3A | P2A | O4A | O5A | 128.6° | 120.0° |
| O3A | P2A | O4A | O6A | 110.4° | 120.0° |
| O3A | P2A | O5A | O6A | 111.1° | 120.0° |
| O3A | P2A | O5A | HOA5 | 180.0° | 60.0° |
| O3A | P2A | O6A | CCP | 69.8° | 180.0° |
| O4A | P2A | O5A | O6A | 123.5° | 120.0° |
| O4A | P2A | O5A | HOA5 | 54.5° | 180.0° |
| O4A | P2A | O6A | CCP | 45.9° | 60.0° |
| O5A | P2A | O6A | CCP | 169.5° | 60.0° |
| O6A | P2A | O5A | HOA5 | 69.0° | 60.0° |
| P2A | O6A | CCP | CBP | 158.4° | 180.0° |
| P2A | O6A | CCP | H121 | 33.2° | 60.0° |
| P2A | O6A | CCP | H122 | 76.4° | 59.9° |
| O6A | CCP | CBP | H121 | 125.3° | 120.0° |
| O6A | CCP | CBP | H122 | 125.3° | 120.1° |
| O6A | CCP | CBP | CDP | 159.9° | 60.0° |
| O6A | CCP | CBP | CEP | 38.7° | 60.0° |
| O6A | CCP | CBP | CAP | 78.0° | 180.0° |
| O6A | CCP | H121 | H122 | 118.9° | 120.0° |
| CCP | CBP | CDP | CEP | 116.8° | 120.1° |
| CCP | CBP | CDP | CAP | 120.8° | 120.0° |
| CCP | CBP | CEP | CAP | 116.2° | 120.0° |
| CBP | CCP | H121 | H122 | 118.8° | 120.0° |
| CCP | CBP | CDP | H131 | 180.0° | 53.0° |
| CCP | CBP | CDP | H132 | 54.7° | 67.0° |
| CCP | CBP | CDP | H133 | 54.8° | 173.0° |
| CCP | CBP | CEP | H141 | 179.9° | 63.8° |
| CCP | CBP | CEP | H142 | 54.7° | 176.2° |
| CCP | CBP | CEP | H143 | 54.7° | 56.2° |
| CCP | CBP | CAP | OAP | 65.4° | 65.9° |
| CCP | CBP | CAP | C9P | 168.8° | 54.1° |
| CCP | CBP | CAP | H10 | 52.6° | 174.1° |
| CDP | CBP | CEP | CAP | 123.2° | 120.0° |
| CDP | CBP | CCP | H121 | 74.8° | 60.0° |
| CDP | CBP | CCP | H122 | 34.7° | 180.0° |
| CBP | CDP | H131 | H132 | 125.3° | 120.0° |
| CBP | CDP | H131 | H133 | 125.2° | 120.0° |
| CBP | CDP | H132 | H133 | 117.5° | 120.0° |
| CDP | CBP | CEP | H141 | 59.3° | 176.2° |
| CDP | CBP | CEP | H142 | 65.9° | 56.2° |
| CDP | CBP | CEP | H143 | 175.4° | 63.9° |
| CDP | CBP | CAP | OAP | 56.9° | 174.1° |
| CDP | CBP | CAP | C9P | 68.9° | 65.9° |
| CDP | CBP | CAP | H10 | 174.9° | 54.1° |
| CEP | CBP | CCP | H121 | 164.0° | 180.0° |
| CEP | CBP | CCP | H122 | 86.5° | 60.0° |
| CEP | CBP | CDP | H131 | 63.1° | 173.0° |
| CEP | CBP | CDP | H132 | 171.6° | 53.1° |
| CEP | CBP | CDP | H133 | 62.0° | 66.9° |
| CBP | CEP | H141 | H142 | 125.3° | 120.0° |
| CBP | CEP | H141 | H143 | 125.3° | 120.0° |
| CBP | CEP | H142 | H143 | 119.9° | 120.0° |
| CEP | CBP | CAP | OAP | 179.2° | 54.1° |
| CEP | CBP | CAP | C9P | 55.0° | 174.2° |
| CEP | CBP | CAP | H10 | 61.1° | 65.9° |
| CAP | CBP | CCP | H121 | 47.3° | 60.0° |
| CAP | CBP | CCP | H122 | 156.7° | 60.0° |
| CAP | CBP | CDP | H131 | 59.2° | 67.0° |
| CAP | CBP | CDP | H132 | 66.1° | 173.0° |
| CAP | CBP | CDP | H133 | 175.6° | 53.0° |
| CAP | CBP | CEP | H141 | 63.8° | 56.2° |
| CAP | CBP | CEP | H142 | 171.0° | 63.8° |
| CAP | CBP | CEP | H143 | 61.5° | 176.2° |
| CBP | CAP | OAP | C9P | 124.2° | 120.0° |
| CBP | CAP | OAP | H10 | 119.8° | 120.0° |
| CBP | CAP | C9P | H10 | 119.6° | 120.0° |
| CBP | CAP | OAP | HO1 | 180.0° | 60.1° |
| CBP | CAP | C9P | O9P | 79.7° | 109.2° |
| CBP | CAP | C9P | N8P | 94.9° | 70.8° |
| H131 | CDP | H132 | H133 | 117.4° | 120.0° |
| H141 | CEP | H142 | H143 | 119.9° | 120.0° |
| OAP | CAP | C9P | H10 | 117.7° | 120.0° |
| OAP | CAP | C9P | O9P | 157.5° | 10.9° |
| OAP | CAP | C9P | N8P | 27.8° | 169.2° |
| C9P | CAP | OAP | HO1 | 55.8° | 59.9° |
| CAP | C9P | O9P | N8P | 174.4° | 180.0° |
| CAP | C9P | N8P | C7P | 179.6° | 176.3° |
| CAP | C9P | N8P | HN8 | 0.4° | 3.7° |
| H10 | CAP | OAP | HO1 | 60.2° | 180.0° |
| H10 | CAP | C9P | O9P | 39.9° | 130.9° |
| H10 | CAP | C9P | N8P | 145.5° | 49.2° |
| O9P | C9P | N8P | C7P | 5.8° | 3.7° |
| O9P | C9P | N8P | HN8 | 174.2° | 176.3° |
| C9P | N8P | C7P | HN8 | 180.0° | 180.0° |
| C9P | N8P | C7P | C6P | 89.0° | 180.0° |
| C9P | N8P | C7P | H71 | 36.2° | 60.0° |
| C9P | N8P | C7P | H72 | 145.8° | 60.0° |
| N8P | C7P | C6P | H71 | 125.2° | 120.1° |
| N8P | C7P | C6P | H72 | 125.2° | 120.0° |
| N8P | C7P | H71 | H72 | 117.5° | 120.0° |
| N8P | C7P | C6P | C5P | 62.0° | 180.0° |
| N8P | C7P | C6P | H61 | 63.2° | 59.9° |
| N8P | C7P | C6P | H62 | 172.7° | 60.0° |
| HN8 | N8P | C7P | C6P | 91.0° | 0.0° |
| HN8 | N8P | C7P | H71 | 143.8° | 120.0° |
| HN8 | N8P | C7P | H72 | 34.2° | 120.0° |
| C6P | C7P | H71 | H72 | 117.4° | 119.9° |
| C7P | C6P | C5P | H61 | 125.3° | 120.0° |
| C7P | C6P | C5P | H62 | 125.3° | 120.0° |
| C7P | C6P | H61 | H62 | 117.4° | 119.9° |
| C7P | C6P | C5P | O5P | 45.2° | 0.1° |
| C7P | C6P | C5P | N4P | 134.9° | 179.9° |
| H71 | C7P | C6P | C5P | 172.7° | 59.9° |
| H71 | C7P | C6P | H61 | 62.0° | 180.0° |
| H71 | C7P | C6P | H62 | 47.4° | 60.0° |
| H72 | C7P | C6P | C5P | 63.2° | 60.0° |
| H72 | C7P | C6P | H61 | 171.5° | 60.0° |
| H72 | C7P | C6P | H62 | 62.1° | 180.0° |
| C5P | C6P | H61 | H62 | 117.3° | 120.0° |
| C6P | C5P | O5P | N4P | 179.9° | 180.0° |
| C6P | C5P | N4P | C3P | 170.2° | 179.9° |
| C6P | C5P | N4P | HN4 | 9.9° | 0.0° |
| H61 | C6P | C5P | O5P | 170.4° | 120.0° |
| H61 | C6P | C5P | N4P | 9.6° | 60.0° |
| H62 | C6P | C5P | O5P | 80.2° | 120.0° |
| H62 | C6P | C5P | N4P | 99.8° | 60.0° |
| O5P | C5P | N4P | C3P | 9.9° | 0.1° |
| O5P | C5P | N4P | HN4 | 170.1° | 180.0° |
| C5P | N4P | C3P | HN4 | 180.0° | 179.9° |
| C5P | N4P | C3P | C2P | 148.5° | 180.0° |
| C5P | N4P | C3P | H31 | 86.3° | 60.1° |
| C5P | N4P | C3P | H32 | 23.3° | 59.9° |
| N4P | C3P | C2P | H31 | 125.2° | 119.9° |
| N4P | C3P | C2P | H32 | 125.3° | 120.1° |
| N4P | C3P | H31 | H32 | 115.9° | 120.1° |
| N4P | C3P | C2P | S1P | 164.4° | 179.9° |
| N4P | C3P | C2P | H21 | 70.3° | 60.1° |
| N4P | C3P | C2P | H22 | 39.2° | 60.0° |
| HN4 | N4P | C3P | C2P | 31.5° | 0.1° |
| HN4 | N4P | C3P | H31 | 93.7° | 120.0° |
| HN4 | N4P | C3P | H32 | 156.8° | 120.0° |
| C2P | C3P | H31 | H32 | 115.9° | 120.0° |
| C3P | C2P | S1P | H21 | 125.3° | 119.9° |
| C3P | C2P | S1P | H22 | 125.2° | 120.0° |
| C3P | C2P | H21 | H22 | 118.6° | 120.0° |
| C3P | C2P | S1P | C1P | 122.5° | 180.0° |
| H31 | C3P | C2P | S1P | 39.2° | 60.0° |
| H31 | C3P | C2P | H21 | 164.5° | 180.0° |
| H31 | C3P | C2P | H22 | 86.0° | 59.9° |
| H32 | C3P | C2P | S1P | 70.4° | 60.0° |
| H32 | C3P | C2P | H21 | 54.9° | 60.0° |
| H32 | C3P | C2P | H22 | 164.4° | 179.9° |
| S1P | C2P | H21 | H22 | 118.5° | 120.0° |
| C2P | S1P | C1P | C1 | 140.9° | 180.0° |
| C2P | S1P | C1P | H11 | 15.7° | 60.0° |
| C2P | S1P | C1P | H12 | 93.8° | 60.1° |
| H21 | C2P | S1P | C1P | 112.2° | 60.0° |
| H22 | C2P | S1P | C1P | 2.8° | 60.1° |
| S1P | C1P | C1 | H11 | 125.3° | 120.0° |
| S1P | C1P | C1 | H12 | 125.3° | 119.9° |
| S1P | C1P | H11 | H12 | 117.3° | 120.0° |
| S1P | C1P | C1 | C2 | 37.4° | 180.0° |
| S1P | C1P | C1 | H111 | 162.6° | 60.0° |
| S1P | C1P | C1 | H123 | 87.9° | 60.0° |
| C1 | C1P | H11 | H12 | 117.1° | 120.0° |
| C1P | C1 | C2 | H111 | 125.2° | 120.0° |
| C1P | C1 | C2 | H123 | 125.3° | 120.0° |
| C1P | C1 | H111 | H123 | 104.3° | 119.9° |
| C1P | C1 | C2 | O2 | 67.6° | 60.0° |
| C1P | C1 | C2 | C3 | 176.5° | 60.0° |
| C1P | C1 | C2 | C4 | 59.3° | 180.0° |
| H11 | C1P | C1 | C2 | 88.0° | 60.0° |
| H11 | C1P | C1 | H111 | 37.3° | 180.0° |
| H11 | C1P | C1 | H123 | 146.8° | 60.0° |
| H12 | C1P | C1 | C2 | 162.7° | 60.1° |
| H12 | C1P | C1 | H111 | 72.1° | 60.0° |
| H12 | C1P | C1 | H123 | 37.4° | 179.9° |
| C2 | C1 | H111 | H123 | 104.5° | 120.0° |
| C1 | C2 | O2 | C3 | 108.3° | 119.9° |
| C1 | C2 | O2 | C4 | 116.5° | 120.0° |
| C1 | C2 | C3 | C4 | 108.6° | 120.0° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| C1 | C2 | C3 | O31 | 85.9° | 120.0° |
| C1 | C2 | C3 | O32 | 73.4° | 60.0° |
| C1 | C2 | C4 | C5 | 179.7° | 180.0° |
| C1 | C2 | C4 | H41 | 54.4° | 60.0° |
| C1 | C2 | C4 | H42 | 55.0° | 60.0° |
| H111 | C1 | C2 | O2 | 167.2° | 60.0° |
| H111 | C1 | C2 | C3 | 51.2° | 180.0° |
| H111 | C1 | C2 | C4 | 66.0° | 60.0° |
| H123 | C1 | C2 | O2 | 57.7° | 180.0° |
| H123 | C1 | C2 | C3 | 58.3° | 60.0° |
| H123 | C1 | C2 | C4 | 175.5° | 60.0° |
| O2 | C2 | C3 | C4 | 137.8° | 120.0° |
| O2 | C2 | C3 | O31 | 27.8° | 0.0° |
| O2 | C2 | C3 | O32 | 172.9° | 180.0° |
| O2 | C2 | C4 | C5 | 60.4° | 60.0° |
| O2 | C2 | C4 | H41 | 64.9° | 60.0° |
| O2 | C2 | C4 | H42 | 174.3° | 180.0° |
| C3 | C2 | O2 | HO2 | 71.7° | 180.0° |
| C2 | C3 | O31 | O32 | 158.1° | 180.0° |
| C2 | C3 | O32 | HO32 | 180.0° | 180.0° |
| C3 | C2 | C4 | C5 | 73.6° | 60.1° |
| C3 | C2 | C4 | H41 | 161.1° | 179.9° |
| C3 | C2 | C4 | H42 | 51.7° | 60.0° |
| C4 | C2 | O2 | HO2 | 63.4° | 60.0° |
| C4 | C2 | C3 | O31 | 165.5° | 120.0° |
| C4 | C2 | C3 | O32 | 35.2° | 60.0° |
| C2 | C4 | C5 | H41 | 125.3° | 120.0° |
| C2 | C4 | C5 | H42 | 125.3° | 120.0° |
| C2 | C4 | H41 | H42 | 111.0° | 119.9° |
| C2 | C4 | C5 | O51 | 8.7° | 0.1° |
| C2 | C4 | C5 | O52 | 179.7° | 180.0° |
| O31 | C3 | O32 | HO32 | 20.3° | 0.0° |
| C5 | C4 | H41 | H42 | 111.0° | 120.1° |
| C4 | C5 | O51 | O52 | 171.0° | 179.9° |
| C4 | C5 | O52 | HO52 | 180.0° | 180.0° |
| H41 | C4 | C5 | O51 | 134.0° | 120.0° |
| H41 | C4 | C5 | O52 | 54.4° | 60.1° |
| H42 | C4 | C5 | O51 | 116.6° | 119.9° |
| H42 | C4 | C5 | O52 | 55.0° | 60.0° |
| O51 | C5 | O52 | HO52 | 8.5° | 0.1° |
