7OX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3G | C3F | doub | 1.36Å | 1.48Å | |
| C3F | C3E | sing | 1.41Å | 1.44Å | |
| C3E | C3D | doub | 1.36Å | 1.35Å | |
| C3D | C3C | sing | 1.41Å | 1.43Å | |
| O2C | C2G | doub | 1.21Å | 1.20Å | |
| C3C | C3B | doub | 1.36Å | 1.33Å | |
| C2H | C2G | sing | 1.51Å | 1.49Å | |
| C2G | O2B | sing | 1.34Å | 1.35Å | |
| C3B | C3A | sing | 1.42Å | 1.47Å | |
| O2B | C2D | sing | 1.45Å | 1.44Å | |
| O2D | C3A | sing | 1.35Å | 1.35Å | |
| O2D | C2C | sing | 1.43Å | 1.46Å | |
| C2D | C2C | sing | 1.53Å | 1.52Å | |
| C2D | C2E | sing | 1.53Å | 1.52Å | |
| C3A | O3A | doub | 1.22Å | 1.21Å | |
| C2F | C2E | sing | 1.53Å | 1.51Å | |
| C2C | C2B | sing | 1.53Å | 1.51Å | |
| C2E | O2A | sing | 1.43Å | 1.44Å | |
| C2B | C2A | sing | 1.53Å | 1.51Å | |
| O2A | C2A | sing | 1.43Å | 1.43Å | |
| C1S | C1R | doub | 1.39Å | 1.37Å | Aromatic |
| C1S | C1A | sing | 1.38Å | 1.39Å | Aromatic |
| C2A | C1A | sing | 1.51Å | 1.48Å | |
| C1R | C1Q | sing | 1.39Å | 1.39Å | Aromatic |
| C1A | C1B | doub | 1.39Å | 1.39Å | Aromatic |
| O1C | C1M | doub | 1.21Å | 1.22Å | |
| C1Q | C1P | sing | 1.48Å | 1.47Å | |
| C1Q | C1C | doub | 1.42Å | 1.41Å | Aromatic |
| O1G | C1P | doub | 1.21Å | 1.22Å | |
| C1B | C1C | sing | 1.40Å | 1.38Å | Aromatic |
| C1B | O1A | sing | 1.36Å | 1.35Å | |
| C1M | C1L | sing | 1.47Å | 1.44Å | |
| C1M | C1N | sing | 1.51Å | 1.52Å | |
| C1P | C1O | sing | 1.52Å | 1.50Å | |
| O1H | C1O | sing | 1.42Å | 1.44Å | |
| O1H | C1E | sing | 1.43Å | 1.44Å | |
| C1C | C1D | sing | 1.47Å | 1.46Å | |
| C1L | C1I | doub | 1.33Å | 1.33Å | |
| C1O | C1N | sing | 1.51Å | 1.52Å | |
| C1O | C1E | sing | 1.53Å | 1.47Å | |
| C1N | O1F | sing | 1.43Å | 1.43Å | |
| C1N | C1H | sing | 1.54Å | 1.58Å | |
| C1D | C1E | sing | 1.52Å | 1.47Å | |
| C1D | O1B | doub | 1.21Å | 1.22Å | |
| C1E | C1F | sing | 1.52Å | 1.51Å | |
| C1I | C1K | sing | 1.51Å | 1.50Å | |
| C1I | C1J | sing | 1.50Å | 1.50Å | |
| C1G | C1F | sing | 1.53Å | 1.53Å | |
| C1G | C1H | sing | 1.54Å | 1.53Å | |
| C1F | O4E | sing | 1.43Å | 1.43Å | |
| C1H | C1J | sing | 1.53Å | 1.53Å | |
| C1H | O1D | sing | 1.43Å | 1.43Å | |
| C1L | H1 | sing | 1.08Å | 1.08Å | |
| C1K | H2 | sing | 1.09Å | 1.10Å | |
| C1K | H3 | sing | 1.09Å | 1.10Å | |
| C1K | H4 | sing | 1.09Å | 1.10Å | |
| C1J | H5 | sing | 1.09Å | 1.10Å | |
| C1J | H6 | sing | 1.09Å | 1.10Å | |
| C1G | H7 | sing | 1.09Å | 1.10Å | |
| C1G | H8 | sing | 1.09Å | 1.10Å | |
| C1F | H9 | sing | 1.09Å | 1.10Å | |
| O4E | H10 | sing | 0.97Å | 0.95Å | |
| O1D | H11 | sing | 0.97Å | 0.95Å | |
| O1F | H12 | sing | 0.97Å | 0.95Å | |
| C1R | H13 | sing | 1.08Å | 1.08Å | |
| C1S | H14 | sing | 1.08Å | 1.08Å | |
| O1A | H15 | sing | 0.97Å | 0.95Å | |
| C2A | H16 | sing | 1.09Å | 1.10Å | |
| C2E | H17 | sing | 1.09Å | 1.10Å | |
| C2F | H18 | sing | 1.09Å | 1.10Å | |
| C2F | H19 | sing | 1.09Å | 1.10Å | |
| C2F | H20 | sing | 1.09Å | 1.10Å | |
| C2D | H21 | sing | 1.09Å | 1.10Å | |
| C2H | H22 | sing | 1.09Å | 1.10Å | |
| C2H | H23 | sing | 1.09Å | 1.10Å | |
| C2H | H24 | sing | 1.09Å | 1.10Å | |
| C2B | H25 | sing | 1.09Å | 1.10Å | |
| C2B | H26 | sing | 1.09Å | 1.10Å | |
| C2C | H27 | sing | 1.09Å | 1.10Å | |
| C3B | H28 | sing | 1.08Å | 1.08Å | |
| C3C | H29 | sing | 1.08Å | 1.08Å | |
| C3D | H30 | sing | 1.08Å | 1.08Å | |
| C3E | H31 | sing | 1.08Å | 1.08Å | |
| C3F | H32 | sing | 1.08Å | 1.08Å | |
| C3G | H34 | sing | 1.08Å | 1.08Å | |
| C3G | C1 | sing | 1.41Å | 7.91Å | |
| C1 | C2 | doub | 1.36Å | 0.00Å | |
| C2 | C3 | sing | 1.46Å | 0.00Å | |
| C3 | O1 | doub | 1.22Å | 0.00Å | |
| C3 | N1 | sing | 1.35Å | 0.00Å | |
| N1 | C4 | sing | 1.40Å | 0.00Å | |
| C4 | C5 | doub | 1.38Å | 0.00Å | |
| C4 | C6 | sing | 1.41Å | 0.00Å | |
| C5 | C7 | sing | 1.47Å | 0.00Å | |
| C6 | O3 | sing | 1.34Å | 0.00Å | |
| O3 | C9 | sing | 1.35Å | 0.00Å | |
| C7 | C9 | doub | 1.41Å | 0.00Å | Aromatic |
| C5 | O2 | sing | 1.35Å | 0.00Å | |
| C6 | O4 | doub | 1.22Å | 0.00Å | |
| C7 | C8 | sing | 1.40Å | 0.00Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 0.00Å | Aromatic |
| C10 | C13 | doub | 1.39Å | 0.00Å | Aromatic |
| C8 | C12 | doub | 1.36Å | 0.00Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 0.00Å | Aromatic |
| C10 | CL1 | sing | 1.74Å | 0.00Å | |
| C13 | O5 | sing | 1.36Å | 0.00Å | |
| C1 | H33 | sing | 1.08Å | 0.00Å | |
| C2 | H35 | sing | 1.08Å | 0.00Å | |
| N1 | H36 | sing | 0.97Å | 0.00Å | |
| O2 | H37 | sing | 0.97Å | 0.00Å | |
| C8 | H38 | sing | 1.08Å | 0.00Å | |
| C12 | H39 | sing | 1.08Å | 0.00Å | |
| O5 | H40 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3G | C3F | C3E | 114.3° | 120.0° |
| C3G | C3F | H32 | 122.9° | 120.0° |
| C3F | C3G | H34 | 149.8° | 120.0° |
| C3F | C3G | C1 | 60.4° | 120.0° |
| C3F | C3E | C3D | 125.3° | 120.0° |
| C3F | C3E | H31 | 117.3° | 119.9° |
| C3E | C3F | H32 | 122.9° | 119.9° |
| C3E | C3D | C3C | 123.6° | 120.0° |
| C3E | C3D | H30 | 118.2° | 120.0° |
| C3D | C3E | H31 | 117.3° | 120.0° |
| C3D | C3C | C3B | 125.0° | 120.0° |
| C3D | C3C | H29 | 117.5° | 120.1° |
| C3C | C3D | H30 | 118.2° | 120.1° |
| O2C | C2G | C2H | 126.1° | 120.0° |
| O2C | C2G | O2B | 123.1° | 120.0° |
| C3C | C3B | C3A | 125.6° | 120.0° |
| C3C | C3B | H28 | 117.2° | 120.0° |
| C3B | C3C | H29 | 117.5° | 120.0° |
| C2H | C2G | O2B | 110.8° | 120.0° |
| C2G | C2H | H22 | 109.5° | 109.5° |
| C2G | C2H | H23 | 109.5° | 109.5° |
| C2G | C2H | H24 | 109.5° | 109.5° |
| C2G | O2B | C2D | 117.6° | 117.1° |
| C3B | C3A | O2D | 112.3° | 120.0° |
| C3B | C3A | O3A | 124.2° | 120.0° |
| C3A | C3B | H28 | 117.2° | 120.1° |
| O2B | C2D | C2C | 106.5° | 109.6° |
| O2B | C2D | C2E | 107.6° | 109.5° |
| O2B | C2D | H21 | 112.0° | 109.6° |
| C3A | O2D | C2C | 118.1° | 117.0° |
| O2D | C3A | O3A | 123.4° | 120.0° |
| O2D | C2C | C2D | 107.4° | 109.5° |
| O2D | C2C | C2B | 109.7° | 109.5° |
| O2D | C2C | H27 | 110.7° | 109.6° |
| C2C | C2D | C2E | 109.1° | 109.1° |
| C2D | C2C | C2B | 109.1° | 109.1° |
| C2C | C2D | H21 | 110.7° | 109.5° |
| C2D | C2C | H27 | 109.8° | 109.5° |
| C2D | C2E | C2F | 113.8° | 109.5° |
| C2D | C2E | O2A | 107.7° | 109.4° |
| C2D | C2E | H17 | 109.1° | 109.5° |
| C2E | C2D | H21 | 110.7° | 109.5° |
| C2F | C2E | O2A | 106.8° | 109.5° |
| C2F | C2E | H17 | 109.3° | 109.5° |
| C2E | C2F | H18 | 109.5° | 109.5° |
| C2E | C2F | H19 | 109.5° | 109.5° |
| C2E | C2F | H20 | 109.5° | 109.5° |
| C2C | C2B | C2A | 108.7° | 109.1° |
| C2C | C2B | H25 | 109.7° | 109.5° |
| C2C | C2B | H26 | 109.7° | 109.5° |
| C2B | C2C | H27 | 110.0° | 109.6° |
| C2E | O2A | C2A | 111.3° | 114.1° |
| O2A | C2E | H17 | 110.2° | 109.5° |
| C2B | C2A | O2A | 110.6° | 109.5° |
| C2B | C2A | C1A | 111.3° | 109.5° |
| C2B | C2A | H16 | 108.0° | 109.5° |
| C2A | C2B | H25 | 109.7° | 109.5° |
| C2A | C2B | H26 | 109.7° | 109.5° |
| O2A | C2A | C1A | 109.5° | 109.5° |
| O2A | C2A | H16 | 109.0° | 109.5° |
| C1R | C1S | C1A | 121.5° | 120.8° |
| C1S | C1R | C1Q | 119.4° | 119.7° |
| C1S | C1R | H13 | 120.3° | 120.2° |
| C1R | C1S | H14 | 119.2° | 119.6° |
| C1S | C1A | C2A | 123.2° | 119.7° |
| C1S | C1A | C1B | 118.7° | 120.6° |
| C1A | C1S | H14 | 119.2° | 119.6° |
| C2A | C1A | C1B | 117.6° | 119.7° |
| C1A | C2A | H16 | 108.4° | 109.5° |
| C1R | C1Q | C1P | 118.4° | 121.7° |
| C1R | C1Q | C1C | 120.1° | 119.8° |
| C1Q | C1R | H13 | 120.3° | 120.1° |
| C1A | C1B | C1C | 120.9° | 119.3° |
| C1A | C1B | O1A | 122.0° | 120.4° |
| O1C | C1M | C1L | 121.7° | 120.9° |
| O1C | C1M | C1N | 118.5° | 120.9° |
| C1P | C1Q | C1C | 121.4° | 118.5° |
| C1Q | C1P | O1G | 122.1° | 121.6° |
| C1Q | C1P | C1O | 115.2° | 116.9° |
| C1Q | C1C | C1B | 119.4° | 119.8° |
| C1Q | C1C | C1D | 122.2° | 118.5° |
| O1G | C1P | C1O | 122.7° | 121.5° |
| C1C | C1B | O1A | 117.0° | 120.3° |
| C1B | C1C | C1D | 118.2° | 121.7° |
| C1B | O1A | H15 | 109.5° | 113.9° |
| C1L | C1M | C1N | 119.7° | 118.1° |
| C1M | C1L | C1I | 123.4° | 120.4° |
| C1M | C1L | H1 | 118.3° | 119.8° |
| C1M | C1N | C1O | 111.4° | 110.8° |
| C1M | C1N | O1F | 108.9° | 109.4° |
| C1M | C1N | C1H | 112.4° | 107.9° |
| C1P | C1O | O1H | 108.3° | 117.0° |
| C1P | C1O | C1N | 116.5° | 115.4° |
| C1P | C1O | C1E | 118.8° | 114.8° |
| C1O | O1H | C1E | 61.3° | 64.9° |
| O1H | C1O | C1N | 112.7° | 120.4° |
| O1H | C1O | C1E | 59.3° | 57.9° |
| O1H | C1E | C1O | 59.3° | 57.2° |
| O1H | C1E | C1D | 108.7° | 117.3° |
| O1H | C1E | C1F | 111.5° | 116.9° |
| C1C | C1D | C1E | 116.0° | 116.9° |
| C1C | C1D | O1B | 124.1° | 121.5° |
| C1L | C1I | C1K | 122.0° | 118.4° |
| C1L | C1I | C1J | 121.6° | 123.3° |
| C1I | C1L | H1 | 118.3° | 119.8° |
| C1N | C1O | C1E | 123.4° | 119.2° |
| C1O | C1N | O1F | 110.1° | 108.7° |
| C1O | C1N | C1H | 110.5° | 110.6° |
| C1O | C1E | C1D | 121.6° | 115.5° |
| C1O | C1E | C1F | 121.6° | 120.8° |
| O1F | C1N | C1H | 103.1° | 109.4° |
| C1N | O1F | H12 | 109.5° | 114.0° |
| C1N | C1H | C1G | 111.0° | 107.8° |
| C1N | C1H | C1J | 111.0° | 109.0° |
| C1N | C1H | O1D | 108.4° | 111.0° |
| C1E | C1D | O1B | 118.8° | 121.6° |
| C1D | C1E | C1F | 115.8° | 116.2° |
| C1E | C1F | C1G | 110.7° | 110.5° |
| C1E | C1F | O4E | 110.2° | 109.3° |
| C1E | C1F | H9 | 107.6° | 109.2° |
| C1K | C1I | C1J | 116.5° | 118.4° |
| C1I | C1K | H2 | 109.5° | 109.5° |
| C1I | C1K | H3 | 109.5° | 109.5° |
| C1I | C1K | H4 | 109.5° | 109.5° |
| C1I | C1J | C1H | 115.3° | 111.5° |
| C1I | C1J | H5 | 108.0° | 109.1° |
| C1I | C1J | H6 | 108.0° | 109.1° |
| C1F | C1G | C1H | 112.6° | 108.2° |
| C1G | C1F | O4E | 112.2° | 109.3° |
| C1F | C1G | H7 | 108.7° | 109.7° |
| C1F | C1G | H8 | 108.7° | 109.7° |
| C1G | C1F | H9 | 107.4° | 109.3° |
| C1G | C1H | C1J | 112.6° | 108.7° |
| C1G | C1H | O1D | 105.7° | 110.2° |
| C1H | C1G | H7 | 108.7° | 109.7° |
| C1H | C1G | H8 | 108.7° | 109.7° |
| O4E | C1F | H9 | 108.6° | 109.3° |
| C1F | O4E | H10 | 109.5° | 114.0° |
| C1J | C1H | O1D | 107.9° | 110.1° |
| C1H | C1J | H5 | 108.0° | 109.1° |
| C1H | C1J | H6 | 108.0° | 109.0° |
| C1H | O1D | H11 | 109.5° | 114.1° |
| H2 | C1K | H3 | 109.5° | 109.4° |
| H2 | C1K | H4 | 109.5° | 109.5° |
| H3 | C1K | H4 | 109.5° | 109.4° |
| H5 | C1J | H6 | 109.5° | 109.1° |
| H7 | C1G | H8 | 109.4° | 109.8° |
| H18 | C2F | H19 | 109.5° | 109.5° |
| H18 | C2F | H20 | 109.4° | 109.5° |
| H19 | C2F | H20 | 109.5° | 109.5° |
| H22 | C2H | H23 | 109.4° | 109.4° |
| H22 | C2H | H24 | 109.5° | 109.5° |
| H23 | C2H | H24 | 109.5° | 109.5° |
| H25 | C2B | H26 | 109.5° | 109.6° |
| H34 | C3G | C1 | 149.8° | 120.1° |
| C3G | C1 | C2 | 90.0° | 120.0° |
| C3G | C1 | H33 | 90.0° | 120.0° |
| C1 | C2 | C3 | 90.0° | 120.0° |
| C2 | C1 | H33 | 90.0° | 120.0° |
| C1 | C2 | H35 | 90.0° | 120.0° |
| C2 | C3 | O1 | 90.0° | 120.0° |
| C2 | C3 | N1 | 90.0° | 120.0° |
| C3 | C2 | H35 | 90.0° | 120.0° |
| O1 | C3 | N1 | 90.0° | 120.0° |
| C3 | N1 | C4 | 90.0° | 120.0° |
| C3 | N1 | H36 | 90.0° | 120.0° |
| N1 | C4 | C5 | 90.0° | 120.3° |
| N1 | C4 | C6 | 90.0° | 120.3° |
| C4 | N1 | H36 | 90.0° | 120.0° |
| C5 | C4 | C6 | 90.0° | 119.5° |
| C4 | C5 | C7 | 90.0° | 118.0° |
| C4 | C5 | O2 | 90.0° | 121.0° |
| C4 | C6 | O3 | 90.0° | 121.7° |
| C4 | C6 | O4 | 90.0° | 119.1° |
| C5 | C7 | C9 | 90.0° | 118.9° |
| C7 | C5 | O2 | 90.0° | 121.0° |
| C5 | C7 | C8 | 90.0° | 121.0° |
| C6 | O3 | C9 | 90.0° | 121.9° |
| O3 | C6 | O4 | 90.0° | 119.2° |
| O3 | C9 | C7 | 90.0° | 120.0° |
| O3 | C9 | C10 | 90.0° | 120.6° |
| C9 | C7 | C8 | 90.0° | 120.1° |
| C7 | C9 | C10 | 90.0° | 119.4° |
| C5 | O2 | H37 | 90.0° | 114.0° |
| C7 | C8 | C12 | 90.0° | 119.9° |
| C7 | C8 | H38 | 90.0° | 120.0° |
| C9 | C10 | C13 | 90.0° | 119.8° |
| C9 | C10 | CL1 | 90.0° | 120.1° |
| C10 | C13 | C12 | 90.0° | 120.6° |
| C13 | C10 | CL1 | 90.0° | 120.1° |
| C10 | C13 | O5 | 90.0° | 119.7° |
| C8 | C12 | C13 | 90.0° | 120.4° |
| C12 | C8 | H38 | 90.0° | 120.1° |
| C8 | C12 | H39 | 90.0° | 119.8° |
| C12 | C13 | O5 | 90.0° | 119.7° |
| C13 | C12 | H39 | 90.0° | 119.8° |
| C13 | O5 | H40 | 90.0° | 114.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3G | C3F | C3E | H32 | 180.0° | 180.0° |
| C3G | C3F | C3E | C3D | 179.4° | 180.0° |
| C3G | C3F | C3E | H31 | 0.6° | 0.0° |
| C3F | C3G | H34 | C1 | 180.0° | 180.0° |
| C3F | C3G | C1 | C2 | 90.0° | 180.0° |
| C3F | C3G | C1 | H33 | 90.0° | 0.0° |
| C3F | C3E | C3D | H31 | 180.0° | 180.0° |
| C3F | C3E | C3D | C3C | 179.3° | 180.0° |
| C3F | C3E | C3D | H30 | 0.7° | 0.0° |
| C3E | C3F | C3G | H34 | 132.3° | 180.0° |
| C3E | C3F | C3G | C1 | 47.7° | 0.0° |
| C3E | C3D | C3C | H30 | 180.0° | 180.0° |
| C3E | C3D | C3C | C3B | 176.0° | 180.0° |
| C3E | C3D | C3C | H29 | 4.0° | 0.0° |
| C3D | C3E | C3F | H32 | 0.6° | 0.0° |
| C3D | C3C | C3B | H29 | 180.0° | 180.0° |
| C3D | C3C | C3B | C3A | 179.1° | 180.0° |
| C3D | C3C | C3B | H28 | 0.9° | 0.0° |
| C3C | C3D | C3E | H31 | 0.7° | 0.0° |
| O2C | C2G | C2H | O2B | 179.9° | 179.9° |
| O2C | C2G | O2B | C2D | 0.5° | 0.1° |
| O2C | C2G | C2H | H22 | 0.0° | 180.0° |
| O2C | C2G | C2H | H23 | 120.0° | 60.1° |
| O2C | C2G | C2H | H24 | 120.0° | 60.0° |
| C3C | C3B | C3A | H28 | 180.0° | 180.0° |
| C3C | C3B | C3A | O2D | 6.0° | 180.0° |
| C3C | C3B | C3A | O3A | 170.1° | 0.0° |
| C3B | C3C | C3D | H30 | 4.1° | 0.0° |
| C2H | C2G | O2B | C2D | 179.6° | 180.0° |
| C2G | C2H | H22 | H23 | 120.0° | 120.0° |
| C2G | C2H | H22 | H24 | 120.0° | 120.0° |
| C2G | C2H | H23 | H24 | 120.0° | 120.0° |
| C2G | O2B | C2D | C2C | 106.7° | 150.0° |
| C2G | O2B | C2D | C2E | 136.4° | 90.3° |
| C2G | O2B | C2D | H21 | 14.5° | 29.8° |
| O2B | C2G | C2H | H22 | 179.9° | 0.1° |
| O2B | C2G | C2H | H23 | 59.9° | 120.0° |
| O2B | C2G | C2H | H24 | 60.1° | 119.9° |
| C3B | C3A | O2D | O3A | 176.1° | 180.0° |
| C3B | C3A | O2D | C2C | 174.0° | 180.0° |
| C3A | C3B | C3C | H29 | 0.9° | 0.0° |
| O2B | C2D | C2C | O2D | 66.6° | 63.2° |
| O2B | C2D | C2C | C2E | 115.9° | 119.9° |
| O2B | C2D | C2C | H21 | 122.0° | 120.2° |
| O2B | C2D | C2E | H21 | 122.7° | 120.2° |
| O2B | C2D | C2E | C2F | 65.7° | 62.5° |
| O2B | C2D | C2C | C2B | 174.5° | 176.9° |
| O2B | C2D | C2E | O2A | 176.1° | 177.6° |
| O2B | C2D | C2E | H17 | 56.6° | 57.6° |
| O2B | C2D | C2C | H27 | 53.8° | 57.0° |
| C3A | O2D | C2C | C2D | 169.3° | 150.0° |
| C3A | O2D | C2C | C2B | 72.2° | 90.4° |
| C3A | O2D | C2C | H27 | 49.5° | 29.8° |
| O2D | C3A | C3B | H28 | 174.0° | 0.0° |
| O2D | C2C | C2D | C2B | 118.9° | 119.9° |
| O2D | C2C | C2D | H27 | 120.4° | 120.2° |
| O2D | C2C | C2D | C2E | 177.5° | 176.8° |
| C2C | O2D | C3A | O3A | 2.1° | 0.0° |
| O2D | C2C | C2B | H27 | 122.0° | 120.3° |
| O2D | C2C | C2B | C2A | 173.6° | 176.8° |
| O2D | C2C | C2D | H21 | 55.4° | 57.0° |
| O2D | C2C | C2B | H25 | 53.7° | 63.3° |
| O2D | C2C | C2B | H26 | 66.5° | 57.0° |
| C2C | C2D | C2E | H21 | 122.1° | 119.8° |
| C2C | C2D | C2E | C2F | 179.1° | 177.6° |
| C2D | C2C | C2B | H27 | 120.6° | 119.8° |
| C2C | C2D | C2E | O2A | 60.9° | 57.6° |
| C2D | C2C | C2B | C2A | 56.2° | 56.9° |
| C2C | C2D | C2E | H17 | 58.6° | 62.4° |
| C2D | C2C | C2B | H25 | 63.7° | 176.8° |
| C2D | C2C | C2B | H26 | 176.1° | 62.9° |
| C2D | C2E | C2F | O2A | 118.7° | 119.9° |
| C2D | C2E | C2F | H17 | 122.1° | 120.0° |
| C2E | C2D | C2C | C2B | 58.6° | 57.0° |
| C2D | C2E | O2A | H17 | 118.8° | 120.0° |
| C2D | C2E | O2A | C2A | 63.6° | 61.2° |
| C2D | C2E | C2F | H18 | 180.0° | 180.0° |
| C2D | C2E | C2F | H19 | 60.0° | 60.1° |
| C2D | C2E | C2F | H20 | 60.0° | 60.0° |
| C2E | C2D | C2C | H27 | 62.1° | 62.9° |
| O3A | C3A | C3B | H28 | 9.9° | 180.0° |
| C2F | C2E | O2A | H17 | 118.6° | 120.0° |
| C2F | C2E | O2A | C2A | 173.9° | 178.9° |
| C2E | C2F | H18 | H19 | 120.0° | 120.0° |
| C2E | C2F | H18 | H20 | 120.0° | 120.0° |
| C2E | C2F | H19 | H20 | 120.0° | 120.0° |
| C2F | C2E | C2D | H21 | 57.0° | 57.7° |
| C2C | C2B | C2A | H25 | 119.9° | 119.9° |
| C2C | C2B | C2A | H26 | 119.9° | 119.9° |
| C2C | C2B | C2A | O2A | 58.1° | 57.6° |
| C2C | C2B | C2A | C1A | 179.9° | 177.6° |
| C2C | C2B | C2A | H16 | 61.1° | 62.4° |
| C2B | C2C | C2D | H21 | 63.5° | 62.9° |
| C2C | C2B | H25 | H26 | 120.3° | 120.2° |
| C2E | O2A | C2A | C2B | 63.0° | 61.2° |
| C2E | O2A | C2A | C1A | 174.0° | 178.8° |
| C2E | O2A | C2A | H16 | 55.6° | 58.8° |
| O2A | C2E | C2F | H18 | 61.3° | 60.0° |
| O2A | C2E | C2F | H19 | 178.7° | 180.0° |
| O2A | C2E | C2F | H20 | 58.7° | 60.0° |
| O2A | C2E | C2D | H21 | 61.2° | 62.2° |
| C2B | C2A | O2A | C1A | 123.0° | 120.0° |
| C2B | C2A | O2A | H16 | 118.6° | 120.0° |
| C2B | C2A | C1A | C1S | 92.5° | 95.0° |
| C2B | C2A | C1A | H16 | 118.6° | 120.0° |
| C2B | C2A | C1A | C1B | 79.9° | 84.9° |
| C2A | C2B | H25 | H26 | 120.4° | 120.1° |
| C2A | C2B | C2C | H27 | 64.4° | 62.9° |
| O2A | C2A | C1A | C1S | 30.1° | 25.0° |
| O2A | C2A | C1A | H16 | 118.8° | 120.0° |
| O2A | C2A | C1A | C1B | 157.5° | 155.1° |
| C2A | O2A | C2E | H17 | 55.3° | 58.8° |
| O2A | C2A | C2B | H25 | 61.8° | 177.5° |
| O2A | C2A | C2B | H26 | 178.0° | 62.3° |
| C1R | C1S | C1A | H14 | 180.0° | 180.0° |
| C1R | C1S | C1A | C2A | 172.0° | 180.0° |
| C1S | C1R | C1Q | H13 | 180.0° | 180.0° |
| C1R | C1S | C1A | C1B | 0.3° | 0.0° |
| C1S | C1R | C1Q | C1P | 177.6° | 179.9° |
| C1S | C1R | C1Q | C1C | 0.2° | 0.1° |
| C1S | C1A | C2A | C1B | 172.4° | 179.9° |
| C1A | C1S | C1R | C1Q | 0.5° | 0.1° |
| C1S | C1A | C1B | C1C | 1.5° | 0.1° |
| C1S | C1A | C1B | O1A | 178.2° | 179.8° |
| C1A | C1S | C1R | H13 | 179.5° | 180.0° |
| C1S | C1A | C2A | H16 | 148.9° | 145.0° |
| C2A | C1A | C1B | C1C | 171.2° | 180.0° |
| C2A | C1A | C1B | O1A | 9.0° | 0.1° |
| C2A | C1A | C1S | H14 | 8.0° | 0.0° |
| C1A | C2A | C2B | H25 | 60.2° | 62.5° |
| C1A | C2A | C2B | H26 | 60.1° | 57.7° |
| C1R | C1Q | C1P | C1C | 177.3° | 180.0° |
| C1R | C1Q | C1P | O1G | 18.9° | 35.3° |
| C1R | C1Q | C1C | C1B | 0.9° | 0.0° |
| C1R | C1Q | C1P | C1O | 159.4° | 144.7° |
| C1R | C1Q | C1C | C1D | 174.0° | 179.8° |
| C1Q | C1R | C1S | H14 | 179.5° | 180.0° |
| C1A | C1B | C1C | C1Q | 1.8° | 0.1° |
| C1A | C1B | C1C | O1A | 179.7° | 179.9° |
| C1A | C1B | C1C | C1D | 173.3° | 179.7° |
| C1B | C1A | C1S | H14 | 179.6° | 180.0° |
| C1A | C1B | O1A | H15 | 174.6° | 90.0° |
| C1B | C1A | C2A | H16 | 38.7° | 35.1° |
| O1C | C1M | C1L | C1N | 175.8° | 179.7° |
| O1C | C1M | C1L | C1I | 175.6° | 169.4° |
| O1C | C1M | C1N | C1O | 27.2° | 99.3° |
| O1C | C1M | C1N | O1F | 94.5° | 20.6° |
| O1C | C1M | C1N | C1H | 151.9° | 139.5° |
| O1C | C1M | C1L | H1 | 4.4° | 10.5° |
| C1Q | C1P | O1G | C1O | 178.2° | 180.0° |
| C1P | C1Q | C1C | C1B | 176.3° | 180.0° |
| C1Q | C1P | C1O | O1H | 45.4° | 99.0° |
| C1P | C1Q | C1C | C1D | 8.8° | 0.2° |
| C1Q | C1P | C1O | C1N | 173.6° | 110.6° |
| C1Q | C1P | C1O | C1E | 19.0° | 33.9° |
| C1P | C1Q | C1R | H13 | 2.4° | 0.0° |
| C1C | C1Q | C1P | O1G | 158.5° | 144.7° |
| C1Q | C1C | C1B | C1D | 175.1° | 179.8° |
| C1Q | C1C | C1B | O1A | 177.9° | 179.9° |
| C1C | C1Q | C1P | C1O | 23.3° | 35.3° |
| C1Q | C1C | C1D | C1E | 10.2° | 35.0° |
| C1Q | C1C | C1D | O1B | 177.8° | 145.0° |
| C1C | C1Q | C1R | H13 | 179.8° | 180.0° |
| O1G | C1P | C1O | O1H | 132.8° | 81.1° |
| O1G | C1P | C1O | C1N | 4.6° | 69.4° |
| O1G | C1P | C1O | C1E | 162.7° | 146.1° |
| C1B | C1C | C1D | C1E | 164.8° | 144.8° |
| C1B | C1C | C1D | O1B | 2.8° | 35.2° |
| C1C | C1B | O1A | H15 | 5.7° | 89.9° |
| O1A | C1B | C1C | C1D | 7.0° | 0.3° |
| C1M | C1L | C1I | H1 | 180.0° | 179.9° |
| C1L | C1M | C1N | C1O | 148.7° | 80.5° |
| C1L | C1M | C1N | O1F | 89.6° | 159.7° |
| C1L | C1M | C1N | C1H | 24.0° | 40.8° |
| C1M | C1L | C1I | C1K | 178.9° | 179.4° |
| C1M | C1L | C1I | C1J | 1.9° | 0.7° |
| C1M | C1N | C1O | C1P | 80.0° | 74.1° |
| C1M | C1N | C1O | O1H | 46.1° | 75.3° |
| C1N | C1M | C1L | C1I | 0.2° | 10.9° |
| C1M | C1N | C1O | O1F | 121.0° | 120.2° |
| C1M | C1N | C1O | C1H | 125.7° | 119.7° |
| C1M | C1N | C1O | C1E | 113.4° | 143.0° |
| C1M | C1N | O1F | C1H | 119.6° | 118.0° |
| C1M | C1N | C1H | C1G | 81.8° | 178.3° |
| C1M | C1N | C1H | C1J | 44.2° | 60.6° |
| C1M | C1N | C1H | O1D | 162.5° | 60.9° |
| C1N | C1M | C1L | H1 | 179.8° | 169.2° |
| C1M | C1N | O1F | H12 | 87.0° | 60.0° |
| C1P | C1O | O1H | C1N | 130.3° | 148.9° |
| C1P | C1O | O1H | C1E | 113.2° | 103.7° |
| C1P | C1O | C1N | C1E | 166.7° | 142.9° |
| C1P | C1O | C1N | O1F | 41.0° | 46.1° |
| C1P | C1O | C1N | C1H | 154.3° | 166.3° |
| C1P | C1O | C1E | C1D | 1.0° | 0.1° |
| C1P | C1O | C1E | C1F | 166.9° | 148.5° |
| O1H | C1O | C1N | C1E | 67.3° | 67.8° |
| O1H | C1O | C1N | O1F | 167.0° | 164.5° |
| O1H | C1O | C1N | C1H | 79.7° | 44.4° |
| O1H | C1O | C1E | C1D | 94.2° | 107.3° |
| C1O | O1H | C1E | C1F | 114.9° | 110.8° |
| O1H | C1E | C1D | C1C | 51.2° | 98.6° |
| O1H | C1E | C1D | C1F | 126.5° | 145.3° |
| O1H | C1E | C1D | O1B | 117.2° | 81.3° |
| O1H | C1E | C1F | C1G | 48.9° | 86.7° |
| O1H | C1E | C1F | O4E | 173.6° | 153.0° |
| O1H | C1E | C1F | H9 | 68.1° | 33.5° |
| C1C | C1D | C1E | C1O | 13.8° | 34.1° |
| C1C | C1D | C1E | O1B | 168.3° | 180.0° |
| C1C | C1D | C1E | C1F | 177.6° | 116.0° |
| C1L | C1I | C1K | C1J | 179.2° | 180.0° |
| C1L | C1I | C1J | C1H | 21.4° | 22.3° |
| C1L | C1I | C1K | H2 | 180.0° | 0.0° |
| C1L | C1I | C1K | H3 | 60.0° | 120.0° |
| C1L | C1I | C1K | H4 | 60.0° | 120.1° |
| C1L | C1I | C1J | H5 | 99.5° | 142.8° |
| C1L | C1I | C1J | H6 | 142.2° | 98.2° |
| C1O | C1N | O1F | C1H | 117.9° | 120.9° |
| C1N | C1O | C1E | C1D | 167.4° | 143.2° |
| C1N | C1O | C1E | C1F | 0.6° | 5.5° |
| C1O | C1N | C1H | C1G | 43.4° | 57.0° |
| C1O | C1N | C1H | C1J | 169.4° | 60.8° |
| C1O | C1N | C1H | O1D | 72.3° | 177.7° |
| C1O | C1N | O1F | H12 | 35.5° | 178.9° |
| C1E | C1O | C1N | O1F | 125.7° | 96.7° |
| C1E | C1O | C1N | C1H | 12.4° | 23.4° |
| C1O | C1E | C1D | C1F | 168.6° | 150.1° |
| C1O | C1E | C1D | O1B | 177.9° | 145.9° |
| C1O | C1E | C1F | C1G | 17.4° | 20.6° |
| C1O | C1E | C1F | O4E | 107.3° | 140.9° |
| C1O | C1E | C1F | H9 | 134.5° | 99.6° |
| O1F | C1N | C1H | C1G | 161.1° | 62.8° |
| O1F | C1N | C1H | C1J | 72.9° | 179.5° |
| O1F | C1N | C1H | O1D | 45.4° | 58.0° |
| C1N | C1H | C1J | C1I | 43.5° | 52.1° |
| C1N | C1H | C1G | C1F | 65.3° | 75.0° |
| C1N | C1H | C1G | C1J | 125.1° | 118.0° |
| C1N | C1H | C1G | O1D | 117.3° | 121.3° |
| C1N | C1H | C1J | O1D | 118.6° | 122.1° |
| C1N | C1H | C1J | H5 | 77.4° | 172.6° |
| C1N | C1H | C1J | H6 | 164.4° | 68.4° |
| C1N | C1H | C1G | H7 | 55.2° | 44.7° |
| C1N | C1H | C1G | H8 | 174.2° | 165.4° |
| C1N | C1H | O1D | H11 | 180.0° | 179.1° |
| C1H | C1N | O1F | H12 | 153.5° | 58.0° |
| C1D | C1E | C1F | C1G | 174.0° | 127.8° |
| C1D | C1E | C1F | O4E | 61.4° | 7.5° |
| C1D | C1E | C1F | H9 | 56.9° | 111.9° |
| O1B | C1D | C1E | C1F | 9.3° | 64.0° |
| C1E | C1F | C1G | O4E | 123.5° | 120.3° |
| C1E | C1F | C1G | H9 | 117.2° | 120.2° |
| C1E | C1F | C1G | C1H | 50.0° | 54.0° |
| C1E | C1F | O4E | H9 | 117.6° | 119.4° |
| C1E | C1F | C1G | H7 | 70.5° | 65.7° |
| C1E | C1F | C1G | H8 | 170.4° | 173.7° |
| C1E | C1F | O4E | H10 | 51.3° | 179.0° |
| C1K | C1I | C1J | C1H | 157.9° | 157.8° |
| C1K | C1I | C1L | H1 | 1.1° | 0.5° |
| C1I | C1K | H2 | H3 | 120.0° | 120.0° |
| C1I | C1K | H2 | H4 | 120.0° | 120.1° |
| C1I | C1K | H3 | H4 | 120.0° | 120.0° |
| C1K | C1I | C1J | H5 | 81.3° | 37.3° |
| C1K | C1I | C1J | H6 | 37.0° | 81.8° |
| C1I | C1J | C1H | C1G | 81.6° | 169.3° |
| C1I | C1J | C1H | H5 | 120.9° | 120.5° |
| C1I | C1J | C1H | H6 | 120.8° | 120.5° |
| C1I | C1J | C1H | O1D | 162.1° | 70.0° |
| C1J | C1I | C1L | H1 | 178.1° | 179.4° |
| C1J | C1I | C1K | H2 | 0.7° | 180.0° |
| C1J | C1I | C1K | H3 | 120.7° | 60.0° |
| C1J | C1I | C1K | H4 | 119.2° | 60.0° |
| C1I | C1J | H5 | H6 | 117.3° | 119.1° |
| C1F | C1G | C1H | H7 | 120.5° | 119.7° |
| C1F | C1G | C1H | H8 | 120.5° | 119.6° |
| C1G | C1F | O4E | H9 | 118.6° | 119.5° |
| C1F | C1G | C1H | C1J | 169.6° | 43.0° |
| C1F | C1G | C1H | O1D | 52.0° | 163.7° |
| C1F | C1G | H7 | H8 | 118.6° | 120.6° |
| C1G | C1F | O4E | H10 | 175.1° | 60.0° |
| C1H | C1G | C1F | O4E | 73.6° | 174.3° |
| C1G | C1H | C1J | O1D | 116.3° | 120.7° |
| C1G | C1H | C1J | H5 | 157.6° | 70.2° |
| C1G | C1H | C1J | H6 | 39.3° | 48.8° |
| C1H | C1G | H7 | H8 | 118.6° | 120.7° |
| C1H | C1G | C1F | H9 | 167.1° | 66.2° |
| C1G | C1H | O1D | H11 | 61.0° | 59.8° |
| O4E | C1F | C1G | H7 | 165.9° | 54.6° |
| O4E | C1F | C1G | H8 | 46.9° | 66.1° |
| C1H | C1J | H5 | H6 | 117.3° | 118.9° |
| C1J | C1H | C1G | H7 | 69.9° | 162.7° |
| C1J | C1H | C1G | H8 | 49.1° | 76.6° |
| C1J | C1H | O1D | H11 | 59.7° | 60.0° |
| O1D | C1H | C1J | H5 | 41.2° | 50.5° |
| O1D | C1H | C1J | H6 | 77.0° | 169.5° |
| O1D | C1H | C1G | H7 | 172.5° | 76.6° |
| O1D | C1H | C1G | H8 | 68.5° | 44.1° |
| H2 | C1K | H3 | H4 | 120.0° | 120.0° |
| H7 | C1G | C1F | H9 | 46.6° | 174.1° |
| H8 | C1G | C1F | H9 | 72.4° | 53.4° |
| H9 | C1F | O4E | H10 | 66.3° | 59.5° |
| H13 | C1R | C1S | H14 | 0.5° | 0.0° |
| H16 | C2A | C2B | H25 | 179.0° | 57.5° |
| H16 | C2A | C2B | H26 | 58.8° | 177.7° |
| H17 | C2E | C2F | H18 | 57.9° | 60.0° |
| H17 | C2E | C2F | H19 | 62.1° | 60.0° |
| H17 | C2E | C2F | H20 | 177.9° | 180.0° |
| H17 | C2E | C2D | H21 | 179.3° | 177.8° |
| H18 | C2F | H19 | H20 | 120.0° | 120.0° |
| H21 | C2D | C2C | H27 | 175.8° | 177.2° |
| H22 | C2H | H23 | H24 | 120.0° | 120.0° |
| H25 | C2B | C2C | H27 | 175.7° | 57.0° |
| H26 | C2B | C2C | H27 | 55.5° | 177.3° |
| H28 | C3B | C3C | H29 | 179.1° | 180.0° |
| H29 | C3C | C3D | H30 | 175.9° | 180.0° |
| H30 | C3D | C3E | H31 | 179.3° | 180.0° |
| H31 | C3E | C3F | H32 | 179.4° | 180.0° |
| H32 | C3F | C3G | H34 | 47.7° | 0.0° |
| H32 | C3F | C3G | C1 | 132.3° | 180.0° |
| H34 | C3G | C1 | C2 | 90.0° | 0.0° |
| H34 | C3G | C1 | H33 | 90.0° | 180.0° |
| C3G | C1 | C2 | H33 | 90.0° | 180.0° |
| C3G | C1 | C2 | C3 | 90.0° | 180.0° |
| C3G | C1 | C2 | H35 | 90.0° | 0.0° |
| C1 | C2 | C3 | H35 | 90.0° | 180.0° |
| C1 | C2 | C3 | O1 | 90.0° | 0.1° |
| C1 | C2 | C3 | N1 | 90.0° | 180.0° |
| C2 | C3 | O1 | N1 | 90.0° | 179.9° |
| C2 | C3 | N1 | C4 | 90.0° | 175.0° |
| C3 | C2 | C1 | H33 | 90.0° | 0.0° |
| C2 | C3 | N1 | H36 | 90.0° | 5.0° |
| O1 | C3 | N1 | C4 | 90.0° | 5.0° |
| O1 | C3 | C2 | H35 | 90.0° | 180.0° |
| O1 | C3 | N1 | H36 | 90.0° | 175.0° |
| C3 | N1 | C4 | H36 | 90.0° | 180.0° |
| C3 | N1 | C4 | C5 | 90.0° | 121.3° |
| C3 | N1 | C4 | C6 | 90.0° | 58.9° |
| N1 | C3 | C2 | H35 | 90.0° | 0.1° |
| N1 | C4 | C5 | C6 | 90.0° | 179.8° |
| N1 | C4 | C5 | C7 | 90.0° | 180.0° |
| N1 | C4 | C6 | O3 | 90.0° | 180.0° |
| N1 | C4 | C5 | O2 | 90.0° | 0.0° |
| N1 | C4 | C6 | O4 | 90.0° | 0.0° |
| C4 | C5 | C7 | O2 | 90.0° | 180.0° |
| C5 | C4 | C6 | O3 | 90.0° | 0.2° |
| C4 | C5 | C7 | C9 | 90.0° | 0.1° |
| C5 | C4 | C6 | O4 | 90.0° | 179.8° |
| C4 | C5 | C7 | C8 | 90.0° | 180.0° |
| C5 | C4 | N1 | H36 | 90.0° | 58.7° |
| C4 | C5 | O2 | H37 | 90.0° | 0.0° |
| C6 | C4 | C5 | C7 | 90.0° | 0.2° |
| C4 | C6 | O3 | O4 | 90.0° | 180.0° |
| C4 | C6 | O3 | C9 | 90.0° | 0.0° |
| C6 | C4 | C5 | O2 | 90.0° | 179.7° |
| C6 | C4 | N1 | H36 | 90.0° | 121.1° |
| C5 | C7 | C9 | O3 | 90.0° | 0.4° |
| C5 | C7 | C9 | C8 | 90.0° | 179.9° |
| C5 | C7 | C9 | C10 | 90.0° | 180.0° |
| C5 | C7 | C8 | C12 | 90.0° | 179.9° |
| C7 | C5 | O2 | H37 | 90.0° | 180.0° |
| C5 | C7 | C8 | H38 | 90.0° | 0.1° |
| C6 | O3 | C9 | C7 | 90.0° | 0.4° |
| C6 | O3 | C9 | C10 | 90.0° | 180.0° |
| O3 | C9 | C7 | C10 | 90.0° | 179.6° |
| C9 | O3 | C6 | O4 | 90.0° | 180.0° |
| O3 | C9 | C7 | C8 | 90.0° | 179.7° |
| O3 | C9 | C10 | C13 | 90.0° | 179.7° |
| O3 | C9 | C10 | CL1 | 90.0° | 0.3° |
| C9 | C7 | C5 | O2 | 90.0° | 180.0° |
| C7 | C9 | C10 | C13 | 90.0° | 0.1° |
| C9 | C7 | C8 | C12 | 90.0° | 0.0° |
| C7 | C9 | C10 | CL1 | 90.0° | 180.0° |
| C9 | C7 | C8 | H38 | 90.0° | 180.0° |
| O2 | C5 | C7 | C8 | 90.0° | 0.1° |
| C8 | C7 | C9 | C10 | 90.0° | 0.1° |
| C7 | C8 | C12 | H38 | 90.0° | 180.0° |
| C7 | C8 | C12 | C13 | 90.0° | 0.0° |
| C7 | C8 | C12 | H39 | 90.0° | 180.0° |
| C9 | C10 | C13 | CL1 | 90.0° | 180.0° |
| C9 | C10 | C13 | C12 | 90.0° | 0.0° |
| C9 | C10 | C13 | O5 | 90.0° | 180.0° |
| C10 | C13 | C12 | C8 | 90.0° | 0.1° |
| C10 | C13 | C12 | O5 | 90.0° | 179.9° |
| C10 | C13 | C12 | H39 | 90.0° | 180.0° |
| C10 | C13 | O5 | H40 | 90.0° | 90.0° |
| C8 | C12 | C13 | H39 | 90.0° | 179.9° |
| C8 | C12 | C13 | O5 | 90.0° | 180.0° |
| C12 | C13 | C10 | CL1 | 90.0° | 180.0° |
| C13 | C12 | C8 | H38 | 90.0° | 180.0° |
| C12 | C13 | O5 | H40 | 90.0° | 90.0° |
| CL1 | C10 | C13 | O5 | 90.0° | 0.0° |
| O5 | C13 | C12 | H39 | 90.0° | 0.1° |
| H33 | C1 | C2 | H35 | 90.0° | 180.0° |
| H38 | C8 | C12 | H39 | 90.0° | 0.0° |
