SMQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C3J | sing | 1.35Å | 1.29Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C1S | C1A | doub | 1.38Å | 1.40Å | Aromatic |
| C1A | C1B | sing | 1.39Å | 1.39Å | Aromatic |
| C1A | C2A | sing | 1.51Å | 1.53Å | |
| C1B | O1A | sing | 1.36Å | 1.35Å | |
| O1A | HO1A | sing | 0.97Å | 0.95Å | |
| C1C | C1B | doub | 1.38Å | 1.38Å | Aromatic |
| C1D | O1B | sing | 1.43Å | 1.44Å | |
| O1B | HO1B | sing | 0.97Å | 0.95Å | |
| C1Q | C1C | sing | 1.40Å | 1.40Å | Aromatic |
| C1C | C1D | sing | 1.51Å | 1.55Å | |
| C1F | O1C | sing | 1.43Å | 1.42Å | |
| O1C | HO1C | sing | 0.97Å | 0.95Å | |
| C1E | C1D | sing | 1.53Å | 1.50Å | |
| C1D | H1D | sing | 1.09Å | 1.10Å | |
| O1D | C1H | sing | 1.43Å | 1.42Å | |
| O1D | HO1D | sing | 0.97Å | 0.95Å | |
| O1H | C1E | sing | 1.44Å | 1.39Å | |
| C1O | C1E | sing | 1.53Å | 1.53Å | |
| C1E | C1F | sing | 1.52Å | 1.53Å | |
| C1M | O1E | doub | 1.21Å | 1.22Å | |
| C1G | C1F | sing | 1.53Å | 1.55Å | |
| C1F | H1F | sing | 1.09Å | 1.10Å | |
| C1N | O1F | sing | 1.43Å | 1.38Å | |
| O1F | HO1F | sing | 0.97Å | 0.95Å | |
| C1H | C1G | sing | 1.54Å | 1.56Å | |
| C1G | H1G | sing | 1.09Å | 1.10Å | |
| C1G | H1GA | sing | 1.09Å | 1.10Å | |
| O1G | C1P | doub | 1.21Å | 1.25Å | |
| C1I | C1H | sing | 1.53Å | 1.55Å | |
| C1H | C1N | sing | 1.53Å | 1.49Å | |
| O1H | C1O | sing | 1.42Å | 1.61Å | |
| C1J | C1I | sing | 1.50Å | 1.51Å | |
| C1I | H1I | sing | 1.09Å | 1.10Å | |
| C1I | H1IA | sing | 1.09Å | 1.10Å | |
| C1K | C1J | sing | 1.51Å | 1.51Å | |
| C1J | C1L | doub | 1.33Å | 1.38Å | |
| C1K | H1K | sing | 1.09Å | 1.10Å | |
| C1K | H1KA | sing | 1.09Å | 1.10Å | |
| C1K | H1KB | sing | 1.09Å | 1.10Å | |
| C1L | C1M | sing | 1.47Å | 1.38Å | |
| C1L | H1L | sing | 1.08Å | 1.08Å | |
| C1M | C1N | sing | 1.51Å | 1.54Å | |
| C1N | C1O | sing | 1.52Å | 1.57Å | |
| C1O | C1P | sing | 1.52Å | 1.54Å | |
| C1P | C1Q | sing | 1.48Å | 1.40Å | |
| C1R | C1Q | doub | 1.39Å | 1.39Å | Aromatic |
| C1R | C1S | sing | 1.38Å | 1.40Å | Aromatic |
| C1R | H1R | sing | 1.08Å | 1.08Å | |
| C1S | H1S | sing | 1.08Å | 1.08Å | |
| C2B | C2A | sing | 1.53Å | 1.51Å | |
| C2A | O2A | sing | 1.43Å | 1.42Å | |
| C2A | H2A | sing | 1.09Å | 1.10Å | |
| O2A | C2E | sing | 1.43Å | 1.39Å | |
| C2B | C2C | sing | 1.53Å | 1.54Å | |
| C2B | H2B | sing | 1.09Å | 1.10Å | |
| C2B | H2BA | sing | 1.09Å | 1.10Å | |
| C2D | O2B | sing | 1.45Å | 1.42Å | |
| C2G | O2B | sing | 1.34Å | 1.37Å | |
| O2D | C2C | sing | 1.43Å | 1.41Å | |
| C2C | C2D | sing | 1.53Å | 1.47Å | |
| C2C | H2C | sing | 1.09Å | 1.10Å | |
| O2C | C2G | doub | 1.21Å | 1.24Å | |
| C2D | C2E | sing | 1.53Å | 1.53Å | |
| C2D | H2D | sing | 1.09Å | 1.10Å | |
| O2D | C3A | sing | 1.35Å | 1.37Å | |
| C2E | C2F | sing | 1.53Å | 1.52Å | |
| C2E | H2E | sing | 1.09Å | 1.10Å | |
| C2F | H2F | sing | 1.09Å | 1.10Å | |
| C2F | H2FA | sing | 1.09Å | 1.10Å | |
| C2F | H2FB | sing | 1.09Å | 1.10Å | |
| C2G | C2H | sing | 1.51Å | 1.56Å | |
| C2H | H2H | sing | 1.09Å | 1.10Å | |
| C2H | H2HA | sing | 1.09Å | 1.10Å | |
| C2H | H2HB | sing | 1.09Å | 1.10Å | |
| C3B | C3A | sing | 1.42Å | 1.37Å | |
| C3A | O3A | doub | 1.22Å | 1.24Å | |
| C3B | C3C | doub | 1.36Å | 1.38Å | |
| C3B | H3B | sing | 1.08Å | 1.08Å | |
| O3B | C3J | doub | 1.22Å | 1.29Å | |
| C3D | C3C | sing | 1.41Å | 1.53Å | |
| C3C | H3C | sing | 1.08Å | 1.08Å | |
| C3E | C3D | doub | 1.36Å | 1.51Å | |
| C3D | H3D | sing | 1.08Å | 1.08Å | |
| C3F | C3E | sing | 1.41Å | 1.53Å | |
| C3E | H3E | sing | 1.08Å | 1.08Å | |
| C3G | C3F | doub | 1.36Å | 1.49Å | |
| C3F | H3F | sing | 1.08Å | 1.08Å | |
| C3H | C3G | sing | 1.41Å | 1.53Å | |
| C3G | H3G | sing | 1.08Å | 1.08Å | |
| C3I | C3H | doub | 1.36Å | 1.41Å | |
| C3H | H3H | sing | 1.08Å | 1.08Å | |
| C3J | C3I | sing | 1.42Å | 1.39Å | |
| C3I | H3I | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3J | O4 | HO4 | 109.5° | 114.0° |
| O4 | C3J | O3B | 127.2° | 120.0° |
| O4 | C3J | C3I | 118.9° | 120.0° |
| C1S | C1A | C1B | 119.4° | 120.6° |
| C1S | C1A | C2A | 121.3° | 119.7° |
| C1A | C1S | C1R | 120.2° | 120.1° |
| C1A | C1S | H1S | 119.9° | 120.0° |
| C1B | C1A | C2A | 119.3° | 119.7° |
| C1A | C1B | O1A | 121.5° | 120.1° |
| C1A | C1B | C1C | 121.1° | 119.9° |
| C1A | C2A | C2B | 109.3° | 109.5° |
| C1A | C2A | O2A | 109.8° | 109.5° |
| C1A | C2A | H2A | 108.2° | 109.5° |
| C1B | O1A | HO1A | 109.5° | 114.0° |
| O1A | C1B | C1C | 117.4° | 120.0° |
| C1B | C1C | C1Q | 119.5° | 119.3° |
| C1B | C1C | C1D | 117.1° | 120.6° |
| C1D | O1B | HO1B | 109.5° | 114.0° |
| O1B | C1D | C1C | 113.8° | 109.3° |
| O1B | C1D | C1E | 108.3° | 109.3° |
| O1B | C1D | H1D | 108.1° | 109.3° |
| C1Q | C1C | C1D | 123.3° | 120.0° |
| C1C | C1Q | C1P | 119.6° | 118.3° |
| C1C | C1Q | C1R | 120.7° | 120.5° |
| C1C | C1D | C1E | 111.8° | 110.3° |
| C1C | C1D | H1D | 104.4° | 109.3° |
| C1F | O1C | HO1C | 109.5° | 114.0° |
| O1C | C1F | C1E | 107.8° | 109.3° |
| O1C | C1F | C1G | 110.2° | 109.3° |
| O1C | C1F | H1F | 111.5° | 109.3° |
| C1E | C1D | H1D | 110.3° | 109.2° |
| C1D | C1E | O1H | 114.1° | 116.2° |
| C1D | C1E | C1O | 117.4° | 117.4° |
| C1D | C1E | C1F | 116.6° | 116.1° |
| C1H | O1D | HO1D | 109.5° | 114.0° |
| O1D | C1H | C1G | 108.6° | 110.1° |
| O1D | C1H | C1I | 117.7° | 110.2° |
| O1D | C1H | C1N | 103.2° | 110.2° |
| O1H | C1E | C1O | 67.1° | 57.0° |
| O1H | C1E | C1F | 114.4° | 116.2° |
| C1E | O1H | C1O | 60.6° | 64.8° |
| C1O | C1E | C1F | 117.7° | 120.6° |
| C1E | C1O | O1H | 52.3° | 58.2° |
| C1E | C1O | C1N | 117.4° | 119.2° |
| C1E | C1O | C1P | 118.2° | 114.0° |
| C1E | C1F | C1G | 113.2° | 110.5° |
| C1E | C1F | H1F | 108.3° | 109.3° |
| O1E | C1M | C1L | 119.1° | 121.0° |
| O1E | C1M | C1N | 119.9° | 120.3° |
| C1G | C1F | H1F | 105.8° | 109.2° |
| C1F | C1G | C1H | 117.7° | 108.2° |
| C1F | C1G | H1G | 106.8° | 109.7° |
| C1F | C1G | H1GA | 104.9° | 109.7° |
| C1N | O1F | HO1F | 109.5° | 114.0° |
| O1F | C1N | C1H | 114.5° | 109.4° |
| O1F | C1N | C1M | 103.8° | 110.2° |
| O1F | C1N | C1O | 109.5° | 109.1° |
| C1H | C1G | H1G | 106.8° | 109.7° |
| C1H | C1G | H1GA | 104.9° | 109.8° |
| C1G | C1H | C1I | 108.2° | 108.6° |
| C1G | C1H | C1N | 115.1° | 107.7° |
| H1G | C1G | H1GA | 116.2° | 109.7° |
| O1G | C1P | C1O | 122.1° | 122.5° |
| O1G | C1P | C1Q | 120.9° | 122.4° |
| C1I | C1H | C1N | 104.2° | 109.9° |
| C1H | C1I | C1J | 115.4° | 111.5° |
| C1H | C1I | H1I | 107.6° | 109.0° |
| C1H | C1I | H1IA | 106.2° | 109.1° |
| C1H | C1N | C1M | 109.7° | 108.0° |
| C1H | C1N | C1O | 107.0° | 110.4° |
| O1H | C1O | C1N | 122.9° | 120.4° |
| O1H | C1O | C1P | 118.8° | 117.9° |
| C1J | C1I | H1I | 107.5° | 109.1° |
| C1J | C1I | H1IA | 106.2° | 109.0° |
| C1I | C1J | C1K | 118.3° | 118.3° |
| C1I | C1J | C1L | 121.2° | 123.3° |
| H1I | C1I | H1IA | 114.2° | 109.1° |
| C1K | C1J | C1L | 120.3° | 118.4° |
| C1J | C1K | H1K | 109.5° | 109.5° |
| C1J | C1K | H1KA | 109.4° | 109.4° |
| C1J | C1K | H1KB | 109.4° | 109.5° |
| C1J | C1L | C1M | 118.1° | 120.5° |
| C1J | C1L | H1L | 120.9° | 119.8° |
| H1K | C1K | H1KA | 109.5° | 109.5° |
| H1K | C1K | H1KB | 109.4° | 109.5° |
| H1KA | C1K | H1KB | 109.5° | 109.4° |
| C1M | C1L | H1L | 121.0° | 119.7° |
| C1L | C1M | C1N | 120.8° | 118.6° |
| C1M | C1N | C1O | 112.4° | 109.7° |
| C1N | C1O | C1P | 113.6° | 115.1° |
| C1O | C1P | C1Q | 116.7° | 115.1° |
| C1P | C1Q | C1R | 119.7° | 121.3° |
| C1Q | C1R | C1S | 119.1° | 119.5° |
| C1Q | C1R | H1R | 120.4° | 120.3° |
| C1S | C1R | H1R | 120.5° | 120.2° |
| C1R | C1S | H1S | 119.9° | 119.9° |
| C2B | C2A | O2A | 105.6° | 109.4° |
| C2B | C2A | H2A | 112.2° | 109.5° |
| C2A | C2B | C2C | 110.2° | 109.1° |
| C2A | C2B | H2B | 109.2° | 109.5° |
| C2A | C2B | H2BA | 109.1° | 109.5° |
| O2A | C2A | H2A | 111.7° | 109.5° |
| C2A | O2A | C2E | 111.6° | 114.1° |
| O2A | C2E | C2D | 109.8° | 109.4° |
| O2A | C2E | C2F | 106.3° | 109.5° |
| O2A | C2E | H2E | 112.8° | 109.5° |
| C2C | C2B | H2B | 109.2° | 109.5° |
| C2C | C2B | H2BA | 109.1° | 109.5° |
| C2B | C2C | O2D | 103.3° | 109.5° |
| C2B | C2C | C2D | 111.1° | 109.1° |
| C2B | C2C | H2C | 112.7° | 109.5° |
| H2B | C2B | H2BA | 110.0° | 109.6° |
| C2D | O2B | C2G | 113.4° | 117.0° |
| O2B | C2D | C2C | 111.1° | 109.5° |
| O2B | C2D | C2E | 101.9° | 109.5° |
| O2B | C2D | H2D | 113.0° | 109.5° |
| O2B | C2G | O2C | 120.5° | 120.0° |
| O2B | C2G | C2H | 117.3° | 120.0° |
| O2D | C2C | C2D | 110.3° | 109.5° |
| O2D | C2C | H2C | 113.5° | 109.6° |
| C2C | O2D | C3A | 109.8° | 117.0° |
| C2D | C2C | H2C | 106.1° | 109.5° |
| C2C | C2D | C2E | 108.5° | 109.1° |
| C2C | C2D | H2D | 106.9° | 109.5° |
| O2C | C2G | C2H | 122.1° | 120.0° |
| C2E | C2D | H2D | 115.4° | 109.6° |
| C2D | C2E | C2F | 113.3° | 109.5° |
| C2D | C2E | H2E | 105.7° | 109.5° |
| O2D | C3A | C3B | 113.8° | 120.0° |
| O2D | C3A | O3A | 122.9° | 120.1° |
| C2F | C2E | H2E | 109.2° | 109.5° |
| C2E | C2F | H2F | 109.5° | 109.5° |
| C2E | C2F | H2FA | 109.4° | 109.5° |
| C2E | C2F | H2FB | 109.5° | 109.5° |
| H2F | C2F | H2FA | 109.5° | 109.5° |
| H2F | C2F | H2FB | 109.4° | 109.5° |
| H2FA | C2F | H2FB | 109.5° | 109.4° |
| C2G | C2H | H2H | 109.5° | 109.4° |
| C2G | C2H | H2HA | 109.5° | 109.4° |
| C2G | C2H | H2HB | 109.4° | 109.5° |
| H2H | C2H | H2HA | 109.5° | 109.5° |
| H2H | C2H | H2HB | 109.5° | 109.5° |
| H2HA | C2H | H2HB | 109.5° | 109.5° |
| C3B | C3A | O3A | 123.3° | 119.9° |
| C3A | C3B | C3C | 129.4° | 120.0° |
| C3A | C3B | H3B | 115.3° | 120.0° |
| C3C | C3B | H3B | 115.3° | 120.0° |
| C3B | C3C | C3D | 102.5° | 120.0° |
| C3B | C3C | H3C | 128.7° | 120.0° |
| O3B | C3J | C3I | 113.9° | 120.1° |
| C3D | C3C | H3C | 128.8° | 120.0° |
| C3C | C3D | C3E | 114.4° | 120.0° |
| C3C | C3D | H3D | 122.8° | 120.1° |
| C3E | C3D | H3D | 122.8° | 119.9° |
| C3D | C3E | C3F | 107.4° | 120.0° |
| C3D | C3E | H3E | 126.3° | 120.0° |
| C3F | C3E | H3E | 126.3° | 120.0° |
| C3E | C3F | C3G | 112.8° | 120.0° |
| C3E | C3F | H3F | 123.6° | 120.0° |
| C3G | C3F | H3F | 123.6° | 120.0° |
| C3F | C3G | C3H | 109.7° | 120.0° |
| C3F | C3G | H3G | 125.1° | 120.0° |
| C3H | C3G | H3G | 125.2° | 120.0° |
| C3G | C3H | C3I | 112.0° | 120.0° |
| C3G | C3H | H3H | 124.0° | 120.0° |
| C3I | C3H | H3H | 124.0° | 120.0° |
| C3H | C3I | C3J | 118.2° | 120.0° |
| C3H | C3I | H3I | 120.9° | 120.0° |
| C3J | C3I | H3I | 120.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C3J | O3B | C3I | 179.3° | 180.0° |
| O4 | C3J | C3I | C3H | 178.2° | 180.0° |
| O4 | C3J | C3I | H3I | 1.8° | 0.0° |
| HO4 | O4 | C3J | O3B | 0.0° | 0.0° |
| HO4 | O4 | C3J | C3I | 179.3° | 180.0° |
| C1S | C1A | C1B | C2A | 179.5° | 179.7° |
| C1S | C1A | C1B | O1A | 178.6° | 179.9° |
| C1S | C1A | C1B | C1C | 0.2° | 0.1° |
| C1A | C1S | C1R | C1Q | 0.2° | 0.5° |
| C1A | C1S | C1R | H1S | 180.0° | 179.4° |
| C1A | C1S | C1R | H1R | 179.8° | 179.7° |
| C1S | C1A | C2A | C2B | 90.1° | 95.2° |
| C1S | C1A | C2A | O2A | 25.3° | 24.7° |
| C1S | C1A | C2A | H2A | 147.5° | 144.7° |
| C1A | C1B | O1A | C1C | 178.8° | 180.0° |
| C1A | C1B | O1A | HO1A | 97.4° | 90.0° |
| C1A | C1B | C1C | C1Q | 0.3° | 0.3° |
| C1A | C1B | C1C | C1D | 179.6° | 179.0° |
| C1B | C1A | C1S | C1R | 0.5° | 0.2° |
| C1B | C1A | C1S | H1S | 179.5° | 179.6° |
| C1B | C1A | C2A | C2B | 90.3° | 85.1° |
| C1B | C1A | C2A | O2A | 154.2° | 155.0° |
| C1B | C1A | C2A | H2A | 32.1° | 35.0° |
| C2A | C1A | C1B | O1A | 1.9° | 0.3° |
| C2A | C1A | C1B | C1C | 179.3° | 179.8° |
| C2A | C1A | C1S | C1R | 179.1° | 179.9° |
| C2A | C1A | C1S | H1S | 1.0° | 0.7° |
| C1A | C2A | C2B | O2A | 118.1° | 120.0° |
| C1A | C2A | C2B | H2A | 120.0° | 120.0° |
| C1A | C2A | O2A | H2A | 120.0° | 120.0° |
| C1A | C2A | O2A | C2E | 174.0° | 178.8° |
| C1A | C2A | C2B | C2C | 177.2° | 177.6° |
| C1A | C2A | C2B | H2B | 62.8° | 62.5° |
| C1A | C2A | C2B | H2BA | 57.5° | 57.7° |
| O1A | C1B | C1C | C1Q | 179.2° | 179.7° |
| O1A | C1B | C1C | C1D | 1.5° | 0.9° |
| HO1A | O1A | C1B | C1C | 83.8° | 90.0° |
| C1B | C1C | C1D | O1B | 27.0° | 99.7° |
| C1B | C1C | C1Q | C1D | 179.3° | 179.4° |
| C1B | C1C | C1D | C1E | 150.1° | 140.1° |
| C1B | C1C | C1D | H1D | 90.7° | 20.0° |
| C1B | C1C | C1Q | C1P | 178.1° | 178.9° |
| C1B | C1C | C1Q | C1R | 0.6° | 0.7° |
| O1B | C1D | C1C | C1Q | 153.7° | 79.7° |
| O1B | C1D | C1C | C1E | 123.1° | 120.2° |
| O1B | C1D | C1C | H1D | 117.7° | 119.6° |
| O1B | C1D | C1E | H1D | 118.2° | 119.6° |
| O1B | C1D | C1E | O1H | 77.4° | 15.1° |
| O1B | C1D | C1E | C1O | 153.0° | 79.7° |
| O1B | C1D | C1E | C1F | 59.4° | 127.0° |
| HO1B | O1B | C1D | C1C | 103.7° | 59.9° |
| HO1B | O1B | C1D | C1E | 131.3° | 179.2° |
| HO1B | O1B | C1D | H1D | 11.8° | 59.7° |
| C1Q | C1C | C1D | C1E | 30.6° | 40.6° |
| C1Q | C1C | C1D | H1D | 88.6° | 160.7° |
| C1C | C1Q | C1P | O1G | 158.3° | 141.6° |
| C1C | C1Q | C1P | C1O | 27.4° | 38.3° |
| C1C | C1Q | C1P | C1R | 177.5° | 179.6° |
| C1C | C1Q | C1R | C1S | 0.3° | 0.8° |
| C1C | C1Q | C1R | H1R | 179.7° | 179.4° |
| C1C | C1D | C1E | H1D | 115.7° | 120.2° |
| C1C | C1D | C1E | O1H | 48.7° | 105.2° |
| C1C | C1D | C1E | C1O | 26.8° | 40.5° |
| C1C | C1D | C1E | C1F | 174.4° | 112.8° |
| C1D | C1C | C1Q | C1P | 2.6° | 1.7° |
| C1D | C1C | C1Q | C1R | 179.9° | 178.7° |
| O1C | C1F | C1E | C1D | 57.0° | 10.9° |
| O1C | C1F | C1E | O1H | 166.2° | 153.0° |
| O1C | C1F | C1E | C1O | 90.5° | 141.5° |
| O1C | C1F | C1E | C1G | 122.2° | 120.3° |
| O1C | C1F | C1E | H1F | 120.8° | 119.5° |
| O1C | C1F | C1G | H1F | 120.7° | 119.5° |
| O1C | C1F | C1G | C1H | 96.2° | 174.4° |
| O1C | C1F | C1G | H1G | 143.8° | 65.9° |
| O1C | C1F | C1G | H1GA | 19.9° | 54.7° |
| HO1C | O1C | C1F | C1E | 80.8° | 180.0° |
| HO1C | O1C | C1F | C1G | 43.2° | 58.9° |
| HO1C | O1C | C1F | H1F | 160.4° | 60.5° |
| C1D | C1E | O1H | C1O | 110.9° | 106.9° |
| C1D | C1E | O1H | C1F | 137.8° | 142.1° |
| C1D | C1E | C1O | C1F | 147.3° | 152.0° |
| C1D | C1E | C1F | C1G | 179.2° | 131.2° |
| C1D | C1E | C1F | H1F | 63.7° | 108.6° |
| C1D | C1E | C1O | C1N | 141.9° | 145.5° |
| C1D | C1E | C1O | C1P | 0.2° | 4.2° |
| H1D | C1D | C1E | O1H | 164.4° | 134.7° |
| H1D | C1D | C1E | C1O | 88.9° | 160.7° |
| H1D | C1D | C1E | C1F | 58.8° | 7.4° |
| O1D | C1H | C1G | C1F | 136.4° | 164.6° |
| O1D | C1H | C1N | O1F | 53.1° | 57.5° |
| O1D | C1H | C1G | C1I | 128.8° | 120.8° |
| O1D | C1H | C1G | C1N | 115.1° | 120.2° |
| O1D | C1H | C1G | H1G | 103.6° | 44.9° |
| O1D | C1H | C1G | H1GA | 20.2° | 75.7° |
| O1D | C1H | C1I | C1N | 113.5° | 121.6° |
| O1D | C1H | C1I | C1J | 63.1° | 70.1° |
| O1D | C1H | C1I | H1I | 176.9° | 169.5° |
| O1D | C1H | C1I | H1IA | 54.3° | 50.4° |
| O1D | C1H | C1N | C1M | 63.2° | 62.5° |
| O1D | C1H | C1N | C1O | 174.6° | 177.6° |
| HO1D | O1D | C1H | C1G | 120.9° | 60.0° |
| HO1D | O1D | C1H | C1I | 2.3° | 59.8° |
| HO1D | O1D | C1H | C1N | 116.4° | 178.8° |
| O1H | C1E | C1O | C1F | 106.5° | 103.1° |
| O1H | C1E | C1F | C1G | 44.1° | 86.7° |
| O1H | C1E | C1F | H1F | 73.0° | 33.5° |
| O1H | C1E | C1O | C1N | 111.9° | 109.6° |
| C1E | O1H | C1O | C1P | 104.8° | 102.3° |
| C1O | C1E | C1F | C1G | 31.7° | 21.2° |
| C1O | C1E | C1F | H1F | 148.8° | 99.0° |
| C1E | C1O | C1N | O1F | 75.0° | 95.9° |
| C1E | C1O | C1P | O1G | 157.0° | 144.4° |
| C1E | C1O | C1N | C1H | 49.6° | 24.3° |
| C1E | C1O | C1N | C1M | 170.1° | 143.2° |
| C1E | C1O | C1N | C1P | 143.7° | 141.0° |
| C1E | C1O | C1P | C1Q | 28.8° | 35.6° |
| C1E | C1F | C1G | H1F | 118.5° | 120.2° |
| C1E | C1F | C1G | C1H | 24.6° | 54.1° |
| C1E | C1F | C1G | H1G | 95.4° | 173.8° |
| C1E | C1F | C1G | H1GA | 140.7° | 65.6° |
| C1F | C1E | C1O | C1N | 5.4° | 6.5° |
| C1F | C1E | C1O | C1P | 147.4° | 147.9° |
| O1E | C1M | C1N | O1F | 16.4° | 20.7° |
| O1E | C1M | C1N | C1H | 139.2° | 140.2° |
| O1E | C1M | C1L | C1J | 173.9° | 169.4° |
| O1E | C1M | C1L | C1N | 175.6° | 179.2° |
| O1E | C1M | C1L | H1L | 6.1° | 10.8° |
| O1E | C1M | C1N | C1O | 101.9° | 99.5° |
| C1F | C1G | C1H | H1G | 120.0° | 119.7° |
| C1F | C1G | C1H | H1GA | 116.1° | 119.7° |
| C1F | C1G | H1G | H1GA | 116.6° | 120.5° |
| C1F | C1G | C1H | C1I | 94.8° | 43.8° |
| C1F | C1G | C1H | C1N | 21.2° | 75.2° |
| H1F | C1F | C1G | C1H | 143.1° | 66.1° |
| H1F | C1F | C1G | H1G | 23.1° | 53.6° |
| H1F | C1F | C1G | H1GA | 100.8° | 174.2° |
| O1F | C1N | C1H | C1G | 65.1° | 62.7° |
| O1F | C1N | C1H | C1I | 176.6° | 179.1° |
| O1F | C1N | C1H | C1M | 116.3° | 120.0° |
| O1F | C1N | C1H | C1O | 121.6° | 120.1° |
| O1F | C1N | C1O | O1H | 136.0° | 164.1° |
| O1F | C1N | C1M | C1L | 168.1° | 158.5° |
| O1F | C1N | C1M | C1O | 118.3° | 120.2° |
| O1F | C1N | C1O | C1P | 68.7° | 45.0° |
| HO1F | O1F | C1N | C1H | 101.3° | 60.0° |
| HO1F | O1F | C1N | C1M | 18.4° | 58.6° |
| HO1F | O1F | C1N | C1O | 138.6° | 179.1° |
| C1H | C1G | H1G | H1GA | 116.6° | 120.7° |
| C1G | C1H | C1I | C1N | 123.0° | 117.6° |
| C1G | C1H | C1I | C1J | 173.4° | 169.2° |
| C1G | C1H | C1I | H1I | 53.4° | 48.7° |
| C1G | C1H | C1I | H1IA | 69.2° | 70.4° |
| C1G | C1H | C1N | C1M | 178.7° | 177.3° |
| C1G | C1H | C1N | C1O | 56.5° | 57.4° |
| H1G | C1G | C1H | C1I | 25.2° | 75.8° |
| H1G | C1G | C1H | C1N | 141.3° | 165.2° |
| H1GA | C1G | C1H | C1I | 149.1° | 163.5° |
| H1GA | C1G | C1H | C1N | 94.9° | 44.5° |
| O1G | C1P | C1O | O1H | 142.7° | 79.0° |
| O1G | C1P | C1O | C1N | 13.6° | 72.6° |
| O1G | C1P | C1O | C1Q | 174.2° | 180.0° |
| O1G | C1P | C1Q | C1R | 24.1° | 38.8° |
| C1H | C1I | C1J | H1I | 120.0° | 120.4° |
| C1H | C1I | C1J | H1IA | 117.4° | 120.5° |
| C1H | C1I | H1I | H1IA | 117.6° | 119.1° |
| C1H | C1I | C1J | C1K | 156.3° | 157.8° |
| C1H | C1I | C1J | C1L | 19.5° | 22.1° |
| C1I | C1H | C1N | C1M | 60.3° | 59.1° |
| C1I | C1H | C1N | C1O | 61.9° | 60.8° |
| C1H | C1N | C1O | O1H | 11.4° | 43.9° |
| C1N | C1H | C1I | C1J | 50.5° | 51.5° |
| C1N | C1H | C1I | H1I | 69.5° | 68.9° |
| C1N | C1H | C1I | H1IA | 167.8° | 172.0° |
| C1H | C1N | C1M | C1L | 45.2° | 39.0° |
| C1H | C1N | C1M | C1O | 118.9° | 120.3° |
| C1H | C1N | C1O | C1P | 166.6° | 165.3° |
| O1H | C1O | C1N | C1M | 109.1° | 75.0° |
| O1H | C1O | C1N | C1P | 155.3° | 150.8° |
| O1H | C1O | C1P | C1Q | 31.4° | 101.0° |
| C1J | C1I | H1I | H1IA | 117.6° | 119.0° |
| C1I | C1J | C1K | C1L | 175.8° | 179.9° |
| C1I | C1J | C1K | H1K | 34.0° | 90.0° |
| C1I | C1J | C1K | H1KA | 86.0° | 150.0° |
| C1I | C1J | C1K | H1KB | 153.9° | 30.0° |
| C1I | C1J | C1L | C1M | 2.3° | 0.5° |
| C1I | C1J | C1L | H1L | 177.7° | 179.4° |
| H1I | C1I | C1J | C1K | 83.7° | 81.8° |
| H1I | C1I | C1J | C1L | 100.5° | 98.4° |
| H1IA | C1I | C1J | C1K | 38.9° | 37.3° |
| H1IA | C1I | C1J | C1L | 136.8° | 142.6° |
| C1J | C1K | H1K | H1KA | 120.0° | 120.0° |
| C1J | C1K | H1K | H1KB | 120.0° | 120.0° |
| C1J | C1K | H1KA | H1KB | 120.0° | 120.0° |
| C1K | C1J | C1L | C1M | 177.9° | 179.4° |
| C1K | C1J | C1L | H1L | 2.1° | 0.7° |
| C1L | C1J | C1K | H1K | 150.2° | 89.9° |
| C1L | C1J | C1K | H1KA | 89.8° | 30.1° |
| C1L | C1J | C1K | H1KB | 30.3° | 150.1° |
| C1J | C1L | C1M | H1L | 180.0° | 179.9° |
| C1J | C1L | C1M | C1N | 10.4° | 9.8° |
| H1K | C1K | H1KA | H1KB | 120.0° | 120.0° |
| C1L | C1M | C1N | C1O | 73.7° | 81.3° |
| H1L | C1L | C1M | C1N | 169.6° | 170.0° |
| C1M | C1N | C1O | C1P | 46.1° | 75.8° |
| C1N | C1O | C1P | C1Q | 172.2° | 107.4° |
| C1O | C1P | C1Q | C1R | 150.1° | 141.3° |
| C1P | C1Q | C1R | C1S | 177.8° | 178.8° |
| C1P | C1Q | C1R | H1R | 2.2° | 1.0° |
| C1Q | C1R | C1S | H1R | 180.0° | 179.8° |
| C1Q | C1R | C1S | H1S | 179.7° | 179.9° |
| H1R | C1R | C1S | H1S | 0.2° | 0.3° |
| C2B | C2A | O2A | H2A | 122.2° | 120.0° |
| C2B | C2A | O2A | C2E | 68.2° | 61.2° |
| C2A | C2B | C2C | H2B | 120.0° | 119.9° |
| C2A | C2B | C2C | H2BA | 119.8° | 119.9° |
| C2A | C2B | H2B | H2BA | 119.7° | 120.2° |
| C2A | C2B | C2C | O2D | 172.4° | 176.9° |
| C2A | C2B | C2C | C2D | 54.2° | 57.0° |
| C2A | C2B | C2C | H2C | 64.7° | 62.9° |
| O2A | C2A | C2B | C2C | 59.1° | 57.6° |
| O2A | C2A | C2B | H2B | 179.1° | 177.5° |
| O2A | C2A | C2B | H2BA | 60.6° | 62.3° |
| C2A | O2A | C2E | C2D | 68.1° | 61.2° |
| C2A | O2A | C2E | C2F | 169.0° | 178.9° |
| C2A | O2A | C2E | H2E | 49.4° | 58.8° |
| H2A | C2A | O2A | C2E | 54.0° | 58.8° |
| H2A | C2A | C2B | C2C | 62.8° | 62.4° |
| H2A | C2A | C2B | H2B | 57.2° | 57.5° |
| H2A | C2A | C2B | H2BA | 177.5° | 177.7° |
| O2A | C2E | C2D | O2B | 174.5° | 177.5° |
| O2A | C2E | C2D | C2C | 57.3° | 57.6° |
| O2A | C2E | C2D | C2F | 118.6° | 120.0° |
| O2A | C2E | C2D | H2E | 121.9° | 120.0° |
| O2A | C2E | C2D | H2D | 62.6° | 62.3° |
| O2A | C2E | C2F | H2E | 121.9° | 120.0° |
| O2A | C2E | C2F | H2F | 101.7° | 60.0° |
| O2A | C2E | C2F | H2FA | 138.3° | 180.0° |
| O2A | C2E | C2F | H2FB | 18.3° | 60.0° |
| C2C | C2B | H2B | H2BA | 119.7° | 120.2° |
| C2B | C2C | C2D | O2B | 161.9° | 176.9° |
| C2B | C2C | O2D | C2D | 118.7° | 119.6° |
| C2B | C2C | O2D | H2C | 122.4° | 120.2° |
| C2B | C2C | C2D | H2C | 122.8° | 119.9° |
| C2B | C2C | C2D | C2E | 50.7° | 57.0° |
| C2B | C2C | C2D | H2D | 74.4° | 63.0° |
| C2B | C2C | O2D | C3A | 143.4° | 90.0° |
| H2B | C2B | C2C | O2D | 67.6° | 63.3° |
| H2B | C2B | C2C | C2D | 174.2° | 176.9° |
| H2B | C2B | C2C | H2C | 55.3° | 57.0° |
| H2BA | C2B | C2C | O2D | 52.6° | 57.0° |
| H2BA | C2B | C2C | C2D | 65.5° | 62.9° |
| H2BA | C2B | C2C | H2C | 175.6° | 177.2° |
| O2B | C2D | C2C | O2D | 84.3° | 63.2° |
| O2B | C2D | C2C | C2E | 111.2° | 119.9° |
| O2B | C2D | C2C | H2D | 123.7° | 120.1° |
| O2B | C2D | C2C | H2C | 39.1° | 57.0° |
| C2D | O2B | C2G | O2C | 9.5° | 0.0° |
| O2B | C2D | C2E | H2D | 122.9° | 120.2° |
| O2B | C2D | C2E | C2F | 66.9° | 62.5° |
| O2B | C2D | C2E | H2E | 52.6° | 57.5° |
| C2D | O2B | C2G | C2H | 167.5° | 180.0° |
| C2G | O2B | C2D | C2C | 100.7° | 150.0° |
| O2B | C2G | O2C | C2H | 176.8° | 180.0° |
| C2G | O2B | C2D | C2E | 144.0° | 90.3° |
| C2G | O2B | C2D | H2D | 19.5° | 29.9° |
| O2B | C2G | C2H | H2H | 40.6° | 180.0° |
| O2B | C2G | C2H | H2HA | 79.4° | 60.0° |
| O2B | C2G | C2H | H2HB | 160.6° | 60.0° |
| O2D | C2C | C2D | H2C | 123.3° | 120.2° |
| O2D | C2C | C2D | C2E | 164.6° | 176.8° |
| O2D | C2C | C2D | H2D | 39.5° | 56.9° |
| C2C | O2D | C3A | C3B | 163.1° | 180.0° |
| C2C | O2D | C3A | O3A | 16.0° | 0.1° |
| C2C | C2D | C2E | H2D | 119.9° | 119.9° |
| C2D | C2C | O2D | C3A | 97.9° | 150.4° |
| C2C | C2D | C2E | C2F | 175.9° | 177.6° |
| C2C | C2D | C2E | H2E | 64.6° | 62.4° |
| H2C | C2C | C2D | C2E | 72.1° | 62.9° |
| H2C | C2C | C2D | H2D | 162.8° | 177.2° |
| H2C | C2C | O2D | C3A | 21.0° | 30.2° |
| O2C | C2G | C2H | H2H | 142.5° | 0.0° |
| O2C | C2G | C2H | H2HA | 97.5° | 120.0° |
| O2C | C2G | C2H | H2HB | 22.5° | 120.0° |
| C2D | C2E | C2F | H2E | 117.5° | 120.0° |
| C2D | C2E | C2F | H2F | 137.7° | 180.0° |
| C2D | C2E | C2F | H2FA | 17.7° | 60.0° |
| C2D | C2E | C2F | H2FB | 102.3° | 59.9° |
| H2D | C2D | C2E | C2F | 56.0° | 57.7° |
| H2D | C2D | C2E | H2E | 175.5° | 177.7° |
| O2D | C3A | C3B | O3A | 179.1° | 180.0° |
| O2D | C3A | C3B | C3C | 175.4° | 180.0° |
| O2D | C3A | C3B | H3B | 4.7° | 0.0° |
| C2E | C2F | H2F | H2FA | 120.0° | 120.1° |
| C2E | C2F | H2F | H2FB | 120.0° | 120.0° |
| C2E | C2F | H2FA | H2FB | 120.0° | 120.0° |
| H2E | C2E | C2F | H2F | 20.2° | 60.0° |
| H2E | C2E | C2F | H2FA | 99.8° | 60.0° |
| H2E | C2E | C2F | H2FB | 140.2° | 179.9° |
| H2F | C2F | H2FA | H2FB | 120.0° | 119.9° |
| C2G | C2H | H2H | H2HA | 120.0° | 119.9° |
| C2G | C2H | H2H | H2HB | 120.0° | 120.0° |
| C2G | C2H | H2HA | H2HB | 120.0° | 120.0° |
| H2H | C2H | H2HA | H2HB | 120.0° | 120.1° |
| C3A | C3B | C3C | H3B | 180.0° | 180.0° |
| C3A | C3B | C3C | C3D | 160.0° | 180.0° |
| C3A | C3B | C3C | H3C | 20.0° | 0.0° |
| O3A | C3A | C3B | C3C | 3.7° | 0.0° |
| O3A | C3A | C3B | H3B | 176.3° | 180.0° |
| C3B | C3C | C3D | H3C | 180.0° | 179.9° |
| C3B | C3C | C3D | C3E | 177.3° | 180.0° |
| C3B | C3C | C3D | H3D | 2.7° | 0.0° |
| H3B | C3B | C3C | C3D | 20.0° | 0.0° |
| H3B | C3B | C3C | H3C | 160.0° | 180.0° |
| O3B | C3J | C3I | C3H | 1.2° | 0.0° |
| O3B | C3J | C3I | H3I | 178.8° | 180.0° |
| C3C | C3D | C3E | H3D | 180.0° | 180.0° |
| C3C | C3D | C3E | C3F | 173.4° | 180.0° |
| C3C | C3D | C3E | H3E | 6.6° | 0.0° |
| H3C | C3C | C3D | C3E | 2.7° | 0.1° |
| H3C | C3C | C3D | H3D | 177.3° | 180.0° |
| C3D | C3E | C3F | H3E | 180.0° | 180.0° |
| C3D | C3E | C3F | C3G | 172.3° | NaN° |
| C3D | C3E | C3F | H3F | 7.7° | 0.0° |
| H3D | C3D | C3E | C3F | 6.6° | 0.0° |
| H3D | C3D | C3E | H3E | 173.4° | 180.0° |
| C3E | C3F | C3G | H3F | 180.0° | 180.0° |
| C3E | C3F | C3G | C3H | 165.0° | 180.0° |
| C3E | C3F | C3G | H3G | 15.0° | 0.0° |
| H3E | C3E | C3F | C3G | 7.7° | 0.0° |
| H3E | C3E | C3F | H3F | 172.3° | 180.0° |
| C3F | C3G | C3H | H3G | 180.0° | 180.0° |
| C3F | C3G | C3H | C3I | 163.8° | 180.0° |
| C3F | C3G | C3H | H3H | 16.2° | 0.0° |
| H3F | C3F | C3G | C3H | 15.0° | 0.0° |
| H3F | C3F | C3G | H3G | 165.0° | 180.0° |
| C3G | C3H | C3I | H3H | 180.0° | 180.0° |
| C3G | C3H | C3I | C3J | 176.1° | 180.0° |
| C3G | C3H | C3I | H3I | 3.9° | 0.0° |
| H3G | C3G | C3H | C3I | 16.1° | 0.0° |
| H3G | C3G | C3H | H3H | 163.9° | 180.0° |
| C3H | C3I | C3J | H3I | 180.0° | 180.0° |
| H3H | C3H | C3I | C3J | 3.9° | 0.0° |
| H3H | C3H | C3I | H3I | 176.1° | 180.0° |
