3L9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3D | C3D | sing | 1.43Å | 1.39Å | |
| O4E | C4E | sing | 1.43Å | 1.31Å | |
| O6E | C6E | sing | 1.43Å | 1.39Å | |
| O4D | C4D | sing | 1.43Å | 1.39Å | |
| C5E | C6E | sing | 1.53Å | 1.51Å | |
| C5E | C4E | sing | 1.53Å | 1.50Å | |
| C5E | O5E | sing | 1.43Å | 1.40Å | |
| C3E | C4E | sing | 1.53Å | 1.57Å | |
| C3E | O3E | sing | 1.43Å | 1.38Å | |
| C3E | C2E | sing | 1.53Å | 1.52Å | |
| C4D | C3D | sing | 1.53Å | 1.54Å | |
| C4D | C5D | sing | 1.53Å | 1.52Å | |
| C3D | C2D | sing | 1.53Å | 1.60Å | |
| C1E | O5E | sing | 1.43Å | 1.41Å | |
| C1E | C2E | sing | 1.53Å | 1.53Å | |
| C1E | O2D | sing | 1.43Å | 1.31Å | |
| C2D | O2D | sing | 1.43Å | 1.37Å | |
| C2D | C1D | sing | 1.53Å | 1.56Å | |
| O2E | C2E | sing | 1.43Å | 1.37Å | |
| C6D | C5D | sing | 1.53Å | 1.52Å | |
| C6D | O6D | sing | 1.43Å | 1.46Å | |
| C5D | O5D | sing | 1.43Å | 1.42Å | |
| O5D | C1D | sing | 1.43Å | 1.40Å | |
| C1D | O2C | sing | 1.43Å | 1.32Å | |
| O9F | C9F | doub | 1.22Å | 1.16Å | |
| O2C | C2C | sing | 1.43Å | 1.37Å | |
| O6D | C9F | sing | 1.35Å | 1.35Å | |
| C9F | C8F | sing | 1.42Å | 1.53Å | |
| C6C | C5C | sing | 1.53Å | 1.51Å | |
| C4C | C5C | sing | 1.53Å | 1.55Å | |
| C4C | C3C | sing | 1.53Å | 1.53Å | |
| C4C | O4C | sing | 1.43Å | 1.39Å | |
| C2C | C3C | sing | 1.53Å | 1.56Å | |
| C2C | C1C | sing | 1.53Å | 1.49Å | |
| O5C | C5C | sing | 1.43Å | 1.39Å | |
| O5C | C1C | sing | 1.43Å | 1.35Å | |
| O3C | C3C | sing | 1.43Å | 1.32Å | |
| O2B | C2B | sing | 1.43Å | 1.30Å | |
| C6B | C5B | sing | 1.53Å | 1.52Å | |
| C1C | O27 | sing | 1.43Å | 1.41Å | |
| O5B | C1B | sing | 1.43Å | 1.23Å | |
| O5B | C5B | sing | 1.43Å | 1.40Å | |
| C8F | C7F | doub | 1.35Å | 1.38Å | |
| C7F | C1F | sing | 1.47Å | 1.52Å | |
| C1B | C2B | sing | 1.53Å | 1.54Å | |
| C1B | O4A | sing | 1.43Å | 1.40Å | |
| C5B | C4B | sing | 1.53Å | 1.54Å | |
| C2B | C3B | sing | 1.53Å | 1.53Å | |
| O25 | C16 | sing | 1.36Å | 1.29Å | |
| C4B | C3B | sing | 1.53Å | 1.55Å | |
| C4B | O4B | sing | 1.43Å | 1.32Å | |
| O13 | C9 | doub | 1.22Å | 1.27Å | |
| O27 | C10 | sing | 1.36Å | 1.39Å | |
| C1F | C2F | doub | 1.40Å | 1.37Å | Aromatic |
| C1F | C6F | sing | 1.40Å | 1.39Å | Aromatic |
| C5A | O5A | sing | 1.43Å | 1.42Å | |
| C5A | C4A | sing | 1.53Å | 1.50Å | |
| C3B | O3B | sing | 1.43Å | 1.37Å | |
| O4A | C4A | sing | 1.43Å | 1.36Å | |
| O5A | C1A | sing | 1.43Å | 1.38Å | |
| C2F | C3F | sing | 1.38Å | 1.41Å | Aromatic |
| C4A | C3A | sing | 1.53Å | 1.55Å | |
| C10 | C9 | sing | 1.42Å | 1.45Å | |
| C10 | C11 | doub | 1.36Å | 1.48Å | |
| C15 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.37Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C3 | sing | 1.47Å | 1.43Å | |
| C6F | C5F | doub | 1.38Å | 1.36Å | Aromatic |
| O30 | C2 | sing | 1.36Å | 1.33Å | |
| C14 | C11 | sing | 1.47Å | 1.46Å | |
| C14 | C19 | doub | 1.40Å | 1.38Å | Aromatic |
| C3F | O3F | sing | 1.36Å | 1.32Å | |
| C3F | C4F | doub | 1.40Å | 1.37Å | Aromatic |
| C11 | O12 | sing | 1.34Å | 1.35Å | |
| C1A | O24 | sing | 1.43Å | 1.37Å | |
| C1A | C2A | sing | 1.53Å | 1.54Å | |
| C17 | O24 | sing | 1.36Å | 1.24Å | |
| C17 | C18 | doub | 1.39Å | 1.42Å | Aromatic |
| C3 | C2 | doub | 1.40Å | 1.33Å | Aromatic |
| C3 | C4 | sing | 1.41Å | 1.42Å | Aromatic |
| C3A | O3A | sing | 1.43Å | 1.37Å | |
| C3A | C2A | sing | 1.53Å | 1.50Å | |
| C2 | C1 | sing | 1.38Å | 1.36Å | Aromatic |
| C2A | O2A | sing | 1.43Å | 1.35Å | |
| C5F | C4F | sing | 1.39Å | 1.32Å | Aromatic |
| C4F | O4F | sing | 1.36Å | 1.32Å | |
| O12 | C4 | sing | 1.35Å | 1.32Å | |
| C19 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | O23 | sing | 1.36Å | 1.31Å | |
| C1 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | O29 | sing | 1.36Å | 1.29Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2F | H2 | sing | 1.08Å | 1.08Å | |
| O3F | H3 | sing | 0.97Å | 0.95Å | |
| O4F | H4 | sing | 0.97Å | 0.95Å | |
| C5F | H5 | sing | 1.08Å | 1.08Å | |
| C6F | H6 | sing | 1.08Å | 1.08Å | |
| C7F | H7 | sing | 1.08Å | 1.08Å | |
| C8F | H9 | sing | 1.08Å | 1.08Å | |
| C6D | H11 | sing | 1.09Å | 1.10Å | |
| C6D | H12 | sing | 1.09Å | 1.10Å | |
| C5D | H13 | sing | 1.09Å | 1.10Å | |
| C4D | H14 | sing | 1.09Å | 1.10Å | |
| O4D | H15 | sing | 0.97Å | 0.95Å | |
| C3D | H16 | sing | 1.09Å | 1.10Å | |
| O3D | H17 | sing | 0.97Å | 0.95Å | |
| C2D | H18 | sing | 1.09Å | 1.10Å | |
| C1E | H19 | sing | 1.09Å | 1.10Å | |
| C5E | H20 | sing | 1.09Å | 1.10Å | |
| C6E | H21 | sing | 1.09Å | 1.10Å | |
| C6E | H22 | sing | 1.09Å | 1.10Å | |
| O6E | H23 | sing | 0.97Å | 0.95Å | |
| C4E | H24 | sing | 1.09Å | 1.10Å | |
| O4E | H25 | sing | 0.97Å | 0.95Å | |
| C3E | H26 | sing | 1.09Å | 1.10Å | |
| O3E | H27 | sing | 0.97Å | 0.95Å | |
| C2E | H28 | sing | 1.09Å | 1.10Å | |
| O2E | H29 | sing | 0.97Å | 0.95Å | |
| C1D | H30 | sing | 1.09Å | 1.10Å | |
| C2C | H31 | sing | 1.09Å | 1.10Å | |
| C3C | H32 | sing | 1.09Å | 1.10Å | |
| O3C | H33 | sing | 0.97Å | 0.95Å | |
| C4C | H34 | sing | 1.09Å | 1.10Å | |
| O4C | H35 | sing | 0.97Å | 0.95Å | |
| C5C | H36 | sing | 1.09Å | 1.10Å | |
| C6C | H37 | sing | 1.09Å | 1.10Å | |
| C6C | H38 | sing | 1.09Å | 1.10Å | |
| C6C | H39 | sing | 1.09Å | 1.10Å | |
| C1C | H40 | sing | 1.09Å | 1.10Å | |
| O30 | H42 | sing | 0.97Å | 0.95Å | |
| O29 | H43 | sing | 0.97Å | 0.95Å | |
| C5 | H44 | sing | 1.08Å | 1.08Å | |
| C15 | H46 | sing | 1.08Å | 1.08Å | |
| O25 | H47 | sing | 0.97Å | 0.95Å | |
| C19 | H48 | sing | 1.08Å | 1.08Å | |
| O23 | H49 | sing | 0.97Å | 0.95Å | |
| C1A | H50 | sing | 1.09Å | 1.10Å | |
| C2A | H51 | sing | 1.09Å | 1.10Å | |
| O2A | H52 | sing | 0.97Å | 0.95Å | |
| C3A | H53 | sing | 1.09Å | 1.10Å | |
| O3A | H54 | sing | 0.97Å | 0.95Å | |
| C5A | H55 | sing | 1.09Å | 1.10Å | |
| C5A | H56 | sing | 1.09Å | 1.10Å | |
| C4A | H57 | sing | 1.09Å | 1.10Å | |
| C1B | H58 | sing | 1.09Å | 1.10Å | |
| C5B | H59 | sing | 1.09Å | 1.10Å | |
| C6B | H60 | sing | 1.09Å | 1.10Å | |
| C6B | H61 | sing | 1.09Å | 1.10Å | |
| C6B | H62 | sing | 1.09Å | 1.10Å | |
| C4B | H63 | sing | 1.09Å | 1.10Å | |
| O4B | H64 | sing | 0.97Å | 0.95Å | |
| C3B | H65 | sing | 1.09Å | 1.10Å | |
| O3B | H66 | sing | 0.97Å | 0.95Å | |
| C2B | H67 | sing | 1.09Å | 1.10Å | |
| O2B | H68 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3D | C3D | C4D | 106.8° | 109.5° |
| O3D | C3D | C2D | 103.0° | 109.5° |
| O3D | C3D | H16 | 112.9° | 109.6° |
| C3D | O3D | H17 | 109.5° | 114.0° |
| O4E | C4E | C5E | 108.9° | 109.5° |
| O4E | C4E | C3E | 109.0° | 109.6° |
| O4E | C4E | H24 | 112.8° | 109.5° |
| C4E | O4E | H25 | 109.5° | 114.0° |
| O6E | C6E | C5E | 110.3° | 109.4° |
| O6E | C6E | H21 | 109.2° | 109.5° |
| O6E | C6E | H22 | 109.3° | 109.5° |
| C6E | O6E | H23 | 109.5° | 113.9° |
| O4D | C4D | C3D | 110.4° | 109.5° |
| O4D | C4D | C5D | 108.0° | 109.5° |
| O4D | C4D | H14 | 111.2° | 109.6° |
| C4D | O4D | H15 | 109.5° | 114.0° |
| C6E | C5E | C4E | 114.5° | 109.5° |
| C6E | C5E | O5E | 108.6° | 109.5° |
| C6E | C5E | H20 | 107.0° | 109.5° |
| C5E | C6E | H21 | 109.3° | 109.5° |
| C5E | C6E | H22 | 109.3° | 109.5° |
| C4E | C5E | O5E | 110.9° | 109.4° |
| C5E | C4E | C3E | 107.6° | 109.2° |
| C4E | C5E | H20 | 107.2° | 109.5° |
| C5E | C4E | H24 | 109.7° | 109.5° |
| C5E | O5E | C1E | 115.3° | 114.1° |
| O5E | C5E | H20 | 108.4° | 109.5° |
| C4E | C3E | O3E | 111.8° | 109.6° |
| C4E | C3E | C2E | 108.6° | 109.1° |
| C3E | C4E | H24 | 108.8° | 109.5° |
| C4E | C3E | H26 | 108.9° | 109.5° |
| O3E | C3E | C2E | 106.4° | 109.5° |
| O3E | C3E | H26 | 111.6° | 109.5° |
| C3E | O3E | H27 | 109.5° | 114.0° |
| C3E | C2E | C1E | 108.4° | 109.2° |
| C3E | C2E | O2E | 115.2° | 109.6° |
| C2E | C3E | H26 | 109.5° | 109.6° |
| C3E | C2E | H28 | 106.0° | 109.5° |
| C3D | C4D | C5D | 108.9° | 109.2° |
| C4D | C3D | C2D | 113.4° | 109.0° |
| C3D | C4D | H14 | 109.0° | 109.5° |
| C4D | C3D | H16 | 110.7° | 109.6° |
| C4D | C5D | C6D | 111.0° | 109.5° |
| C4D | C5D | O5D | 111.4° | 109.4° |
| C4D | C5D | H13 | 104.9° | 109.5° |
| C5D | C4D | H14 | 109.2° | 109.5° |
| C3D | C2D | O2D | 109.3° | 109.6° |
| C3D | C2D | C1D | 110.4° | 109.1° |
| C2D | C3D | H16 | 109.9° | 109.5° |
| C3D | C2D | H18 | 107.8° | 109.6° |
| O5E | C1E | C2E | 105.7° | 109.4° |
| O5E | C1E | O2D | 109.0° | 109.5° |
| O5E | C1E | H19 | 110.7° | 109.5° |
| C2E | C1E | O2D | 109.8° | 109.5° |
| C1E | C2E | O2E | 112.7° | 109.5° |
| C2E | C1E | H19 | 109.1° | 109.5° |
| C1E | C2E | H28 | 106.0° | 109.5° |
| C1E | O2D | C2D | 123.5° | 114.0° |
| O2D | C1E | H19 | 112.4° | 109.6° |
| O2D | C2D | C1D | 110.1° | 109.5° |
| O2D | C2D | H18 | 110.9° | 109.5° |
| C2D | C1D | O5D | 115.2° | 109.4° |
| C2D | C1D | O2C | 117.8° | 109.5° |
| C1D | C2D | H18 | 108.3° | 109.5° |
| C2D | C1D | H30 | 99.9° | 109.5° |
| O2E | C2E | H28 | 107.9° | 109.6° |
| C2E | O2E | H29 | 109.5° | 114.0° |
| C5D | C6D | O6D | 113.0° | 109.5° |
| C6D | C5D | O5D | 117.5° | 109.5° |
| C5D | C6D | H11 | 108.5° | 109.5° |
| C5D | C6D | H12 | 108.6° | 109.5° |
| C6D | C5D | H13 | 104.9° | 109.5° |
| C6D | O6D | C9F | 114.3° | 117.0° |
| O6D | C6D | H11 | 108.6° | 109.5° |
| O6D | C6D | H12 | 108.6° | 109.5° |
| C5D | O5D | C1D | 123.7° | 114.1° |
| O5D | C5D | H13 | 106.0° | 109.5° |
| O5D | C1D | O2C | 116.6° | 109.5° |
| O5D | C1D | H30 | 101.0° | 109.5° |
| C1D | O2C | C2C | 121.6° | 114.0° |
| O2C | C1D | H30 | 101.7° | 109.5° |
| O9F | C9F | O6D | 127.0° | 120.0° |
| O9F | C9F | C8F | 123.2° | 120.1° |
| O2C | C2C | C3C | 120.3° | 109.6° |
| O2C | C2C | C1C | 111.0° | 109.5° |
| O2C | C2C | H31 | 107.3° | 109.5° |
| O6D | C9F | C8F | 109.2° | 120.0° |
| C9F | C8F | C7F | 112.3° | 120.0° |
| C9F | C8F | H9 | 123.9° | 120.0° |
| C6C | C5C | C4C | 114.7° | 109.5° |
| C6C | C5C | O5C | 109.6° | 109.4° |
| C6C | C5C | H36 | 106.1° | 109.5° |
| C5C | C6C | H37 | 109.5° | 109.5° |
| C5C | C6C | H38 | 109.5° | 109.5° |
| C5C | C6C | H39 | 109.5° | 109.5° |
| C5C | C4C | C3C | 108.1° | 109.1° |
| C5C | C4C | O4C | 113.5° | 109.5° |
| C4C | C5C | O5C | 112.7° | 109.4° |
| C5C | C4C | H34 | 108.9° | 109.6° |
| C4C | C5C | H36 | 105.6° | 109.5° |
| C3C | C4C | O4C | 105.9° | 109.6° |
| C4C | C3C | C2C | 110.5° | 109.0° |
| C4C | C3C | O3C | 113.1° | 109.6° |
| C4C | C3C | H32 | 106.7° | 109.5° |
| C3C | C4C | H34 | 109.1° | 109.5° |
| O4C | C4C | H34 | 111.2° | 109.6° |
| C4C | O4C | H35 | 109.5° | 114.0° |
| C3C | C2C | C1C | 106.3° | 109.2° |
| C2C | C3C | O3C | 110.4° | 109.5° |
| C3C | C2C | H31 | 105.2° | 109.5° |
| C2C | C3C | H32 | 106.4° | 109.6° |
| C2C | C1C | O5C | 110.6° | 109.4° |
| C2C | C1C | O27 | 111.6° | 109.5° |
| C1C | C2C | H31 | 105.9° | 109.6° |
| C2C | C1C | H40 | 107.1° | 109.5° |
| C5C | O5C | C1C | 118.3° | 114.1° |
| O5C | C5C | H36 | 107.6° | 109.5° |
| O5C | C1C | O27 | 110.3° | 109.5° |
| O5C | C1C | H40 | 109.0° | 109.5° |
| O3C | C3C | H32 | 109.4° | 109.5° |
| C3C | O3C | H33 | 109.5° | 114.0° |
| O2B | C2B | C1B | 109.8° | 109.5° |
| O2B | C2B | C3B | 112.3° | 109.5° |
| O2B | C2B | H67 | 110.8° | 109.6° |
| C2B | O2B | H68 | 109.5° | 114.0° |
| C6B | C5B | O5B | 109.3° | 109.5° |
| C6B | C5B | C4B | 113.6° | 109.5° |
| C6B | C5B | H59 | 106.7° | 109.5° |
| C5B | C6B | H60 | 109.5° | 109.5° |
| C5B | C6B | H61 | 109.5° | 109.5° |
| C5B | C6B | H62 | 109.5° | 109.5° |
| C1C | O27 | C10 | 116.7° | 117.0° |
| O27 | C1C | H40 | 108.2° | 109.4° |
| C1B | O5B | C5B | 120.7° | 114.1° |
| O5B | C1B | C2B | 112.1° | 109.4° |
| O5B | C1B | O4A | 111.8° | 109.5° |
| O5B | C1B | H58 | 110.8° | 109.5° |
| O5B | C5B | C4B | 112.4° | 109.4° |
| O5B | C5B | H59 | 108.1° | 109.5° |
| C8F | C7F | C1F | 124.7° | 120.0° |
| C8F | C7F | H7 | 117.7° | 120.0° |
| C7F | C8F | H9 | 123.9° | 120.0° |
| C7F | C1F | C2F | 122.8° | 120.1° |
| C7F | C1F | C6F | 122.9° | 120.1° |
| C1F | C7F | H7 | 117.7° | 120.0° |
| C2B | C1B | O4A | 107.2° | 109.5° |
| C1B | C2B | C3B | 108.7° | 109.2° |
| C2B | C1B | H58 | 106.5° | 109.5° |
| C1B | C2B | H67 | 107.5° | 109.5° |
| C1B | O4A | C4A | 125.1° | 114.0° |
| O4A | C1B | H58 | 108.1° | 109.5° |
| C5B | C4B | C3B | 110.0° | 109.1° |
| C5B | C4B | O4B | 107.9° | 109.6° |
| C4B | C5B | H59 | 106.4° | 109.5° |
| C5B | C4B | H63 | 107.9° | 109.5° |
| C2B | C3B | C4B | 110.1° | 109.1° |
| C2B | C3B | O3B | 108.0° | 109.5° |
| C2B | C3B | H65 | 108.0° | 109.6° |
| C3B | C2B | H67 | 107.6° | 109.5° |
| O25 | C16 | C15 | 117.4° | 120.0° |
| O25 | C16 | C17 | 121.2° | 119.9° |
| C16 | O25 | H47 | 109.5° | 114.0° |
| C3B | C4B | O4B | 112.1° | 109.5° |
| C4B | C3B | O3B | 112.9° | 109.6° |
| C3B | C4B | H63 | 107.8° | 109.5° |
| C4B | C3B | H65 | 107.7° | 109.6° |
| O4B | C4B | H63 | 111.1° | 109.6° |
| C4B | O4B | H64 | 109.5° | 114.0° |
| O13 | C9 | C10 | 115.2° | 121.3° |
| O13 | C9 | C3 | 121.3° | 121.3° |
| O27 | C10 | C9 | 118.6° | 120.3° |
| O27 | C10 | C11 | 114.0° | 120.2° |
| C2F | C1F | C6F | 114.3° | 119.8° |
| C1F | C2F | C3F | 122.7° | 119.9° |
| C1F | C2F | H2 | 118.6° | 120.1° |
| C1F | C6F | C5F | 122.9° | 120.0° |
| C1F | C6F | H6 | 118.5° | 120.0° |
| O5A | C5A | C4A | 112.0° | 109.4° |
| C5A | O5A | C1A | 114.2° | 114.1° |
| O5A | C5A | H55 | 108.9° | 109.5° |
| O5A | C5A | H56 | 108.8° | 109.4° |
| C5A | C4A | O4A | 108.1° | 109.5° |
| C5A | C4A | C3A | 108.1° | 109.2° |
| C4A | C5A | H55 | 108.8° | 109.5° |
| C4A | C5A | H56 | 108.9° | 109.5° |
| C5A | C4A | H57 | 108.4° | 109.5° |
| O3B | C3B | H65 | 110.0° | 109.6° |
| C3B | O3B | H66 | 109.5° | 114.0° |
| O4A | C4A | C3A | 113.9° | 109.6° |
| O4A | C4A | H57 | 110.5° | 109.6° |
| O5A | C1A | O24 | 109.5° | 109.5° |
| O5A | C1A | C2A | 109.6° | 109.4° |
| O5A | C1A | H50 | 110.8° | 109.5° |
| C2F | C3F | O3F | 116.6° | 120.0° |
| C2F | C3F | C4F | 119.3° | 120.0° |
| C3F | C2F | H2 | 118.7° | 120.0° |
| C4A | C3A | O3A | 104.5° | 109.5° |
| C4A | C3A | C2A | 110.2° | 109.1° |
| C4A | C3A | H53 | 110.0° | 109.7° |
| C3A | C4A | H57 | 107.8° | 109.6° |
| C9 | C10 | C11 | 113.4° | 119.5° |
| C10 | C9 | C3 | 123.3° | 117.4° |
| C10 | C11 | C14 | 120.3° | 118.8° |
| C10 | C11 | O12 | 115.6° | 122.4° |
| C16 | C15 | C14 | 124.1° | 120.0° |
| C15 | C16 | C17 | 121.4° | 120.1° |
| C16 | C15 | H46 | 118.0° | 120.0° |
| C15 | C14 | C11 | 127.1° | 120.1° |
| C15 | C14 | C19 | 113.8° | 119.9° |
| C14 | C15 | H46 | 118.0° | 120.0° |
| C16 | C17 | O24 | 123.2° | 120.0° |
| C16 | C17 | C18 | 114.2° | 120.1° |
| C9 | C3 | C2 | 126.2° | 121.3° |
| C9 | C3 | C4 | 115.8° | 118.5° |
| C6F | C5F | C4F | 121.9° | 120.2° |
| C6F | C5F | H5 | 119.0° | 119.9° |
| C5F | C6F | H6 | 118.5° | 120.0° |
| O30 | C2 | C3 | 117.3° | 120.2° |
| O30 | C2 | C1 | 119.2° | 120.2° |
| C2 | O30 | H42 | 109.5° | 114.0° |
| C11 | C14 | C19 | 119.1° | 120.0° |
| C14 | C11 | O12 | 119.3° | 118.8° |
| C14 | C19 | C18 | 124.6° | 119.9° |
| C14 | C19 | H48 | 117.7° | 120.1° |
| O3F | C3F | C4F | 124.1° | 119.9° |
| C3F | O3F | H3 | 109.5° | 113.9° |
| C3F | C4F | C5F | 118.8° | 120.2° |
| C3F | C4F | O4F | 119.0° | 119.9° |
| C11 | O12 | C4 | 126.3° | 122.3° |
| O24 | C1A | C2A | 107.2° | 109.4° |
| C1A | O24 | C17 | 116.5° | 117.0° |
| O24 | C1A | H50 | 111.0° | 109.5° |
| C1A | C2A | C3A | 109.6° | 109.1° |
| C1A | C2A | O2A | 107.0° | 109.5° |
| C2A | C1A | H50 | 108.6° | 109.5° |
| C1A | C2A | H51 | 110.0° | 109.6° |
| O24 | C17 | C18 | 122.5° | 119.9° |
| C17 | C18 | C19 | 122.0° | 120.1° |
| C17 | C18 | O23 | 115.1° | 120.0° |
| C2 | C3 | C4 | 117.8° | 120.2° |
| C3 | C2 | C1 | 123.4° | 119.5° |
| C3 | C4 | O12 | 119.7° | 119.9° |
| C3 | C4 | C5 | 120.5° | 119.4° |
| O3A | C3A | C2A | 108.4° | 109.5° |
| O3A | C3A | H53 | 112.8° | 109.5° |
| C3A | O3A | H54 | 109.5° | 114.0° |
| C3A | C2A | O2A | 106.4° | 109.5° |
| C3A | C2A | H51 | 110.7° | 109.6° |
| C2A | C3A | H53 | 110.8° | 109.6° |
| C2 | C1 | C6 | 119.8° | 120.1° |
| C2 | C1 | H1 | 120.1° | 120.0° |
| O2A | C2A | H51 | 113.0° | 109.5° |
| C2A | O2A | H52 | 109.5° | 113.9° |
| C5F | C4F | O4F | 122.1° | 119.9° |
| C4F | C5F | H5 | 119.1° | 119.9° |
| C4F | O4F | H4 | 109.5° | 114.0° |
| O12 | C4 | C5 | 119.8° | 120.7° |
| C19 | C18 | O23 | 122.9° | 119.9° |
| C18 | C19 | H48 | 117.7° | 120.1° |
| C4 | C5 | C6 | 119.4° | 120.0° |
| C4 | C5 | H44 | 120.3° | 120.0° |
| C18 | O23 | H49 | 109.5° | 114.0° |
| C1 | C6 | C5 | 119.1° | 120.7° |
| C1 | C6 | O29 | 119.5° | 119.6° |
| C6 | C1 | H1 | 120.1° | 119.9° |
| C5 | C6 | O29 | 121.3° | 119.7° |
| C6 | C5 | H44 | 120.3° | 120.0° |
| C6 | O29 | H43 | 109.5° | 114.1° |
| H11 | C6D | H12 | 109.5° | 109.5° |
| H21 | C6E | H22 | 109.5° | 109.5° |
| H37 | C6C | H38 | 109.5° | 109.4° |
| H37 | C6C | H39 | 109.5° | 109.5° |
| H38 | C6C | H39 | 109.5° | 109.5° |
| H55 | C5A | H56 | 109.5° | 109.5° |
| H60 | C6B | H61 | 109.5° | 109.5° |
| H60 | C6B | H62 | 109.5° | 109.4° |
| H61 | C6B | H62 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3D | C3D | C4D | O4D | 73.4° | 63.3° |
| O3D | C3D | C4D | C2D | 112.7° | 119.8° |
| O3D | C3D | C4D | H16 | 123.3° | 120.3° |
| O3D | C3D | C4D | C5D | 168.1° | 176.8° |
| O3D | C3D | C2D | H16 | 120.5° | 120.2° |
| O3D | C3D | C2D | O2D | 78.6° | 63.3° |
| O3D | C3D | C2D | C1D | 160.1° | 176.9° |
| O3D | C3D | C4D | H14 | 49.0° | 56.9° |
| O3D | C3D | C2D | H18 | 42.0° | 56.9° |
| O4E | C4E | C5E | C6E | 64.2° | 62.4° |
| O4E | C4E | C5E | C3E | 118.0° | 120.0° |
| O4E | C4E | C5E | H24 | 123.8° | 120.1° |
| O4E | C4E | C5E | O5E | 172.5° | 177.6° |
| O4E | C4E | C3E | H24 | 123.3° | 120.1° |
| O4E | C4E | C3E | O3E | 70.0° | 63.2° |
| O4E | C4E | C3E | C2E | 173.0° | 176.9° |
| O4E | C4E | C5E | H20 | 54.4° | 57.6° |
| O4E | C4E | C3E | H26 | 53.8° | 57.0° |
| O6E | C6E | C5E | H21 | 120.1° | 120.0° |
| O6E | C6E | C5E | H22 | 120.1° | 120.0° |
| O6E | C6E | C5E | C4E | 156.7° | 174.5° |
| O6E | C6E | C5E | O5E | 78.8° | 65.6° |
| O6E | C6E | C5E | H20 | 38.1° | 54.4° |
| O6E | C6E | H21 | H22 | 119.6° | 120.0° |
| O4D | C4D | C3D | C5D | 118.5° | 119.9° |
| O4D | C4D | C3D | H14 | 122.4° | 120.2° |
| O4D | C4D | C5D | H14 | 121.1° | 120.2° |
| O4D | C4D | C3D | C2D | 173.9° | 176.9° |
| O4D | C4D | C5D | C6D | 53.0° | 62.5° |
| O4D | C4D | C5D | O5D | 174.0° | 177.5° |
| O4D | C4D | C5D | H13 | 59.8° | 57.5° |
| O4D | C4D | C3D | H16 | 49.9° | 57.0° |
| C6E | C5E | C4E | O5E | 123.4° | 120.0° |
| C6E | C5E | C4E | H20 | 118.5° | 120.1° |
| C6E | C5E | O5E | H20 | 116.0° | 120.0° |
| C6E | C5E | C4E | C3E | 177.8° | 177.6° |
| C6E | C5E | O5E | C1E | 170.0° | 178.8° |
| C5E | C6E | H21 | H22 | 119.6° | 120.0° |
| C5E | C6E | O6E | H23 | 180.0° | 175.0° |
| C6E | C5E | C4E | H24 | 59.7° | 57.7° |
| C4E | C5E | O5E | H20 | 117.4° | 120.0° |
| C5E | C4E | C3E | H24 | 118.8° | 119.9° |
| C5E | C4E | C3E | O3E | 172.1° | 176.8° |
| C5E | C4E | C3E | C2E | 55.1° | 57.0° |
| C4E | C5E | O5E | C1E | 63.4° | 61.2° |
| C4E | C5E | C6E | H21 | 83.2° | 54.5° |
| C4E | C5E | C6E | H22 | 36.5° | 65.5° |
| C5E | C4E | O4E | H25 | 180.0° | 180.0° |
| C5E | C4E | C3E | H26 | 64.1° | 63.0° |
| O5E | C5E | C4E | C3E | 54.5° | 57.6° |
| C5E | O5E | C1E | C2E | 65.1° | 61.2° |
| C5E | O5E | C1E | O2D | 176.9° | 178.9° |
| C5E | O5E | C1E | H19 | 52.8° | 58.8° |
| O5E | C5E | C6E | H21 | 41.3° | 174.4° |
| O5E | C5E | C6E | H22 | 161.1° | 54.4° |
| O5E | C5E | C4E | H24 | 63.7° | 62.3° |
| C4E | C3E | O3E | C2E | 118.4° | 119.6° |
| C4E | C3E | O3E | H26 | 122.2° | 120.2° |
| C4E | C3E | C2E | H26 | 118.8° | 119.9° |
| C4E | C3E | C2E | C1E | 60.1° | 57.0° |
| C4E | C3E | C2E | O2E | 172.7° | 176.9° |
| C3E | C4E | C5E | H20 | 63.6° | 62.3° |
| C3E | C4E | O4E | H25 | 62.9° | 60.3° |
| C4E | C3E | O3E | H27 | 180.0° | 179.9° |
| C4E | C3E | C2E | H28 | 53.4° | 62.9° |
| O3E | C3E | C2E | H26 | 120.7° | 120.2° |
| O3E | C3E | C2E | C1E | 179.5° | 176.9° |
| O3E | C3E | C2E | O2E | 52.2° | 63.3° |
| O3E | C3E | C4E | H24 | 53.3° | 56.9° |
| O3E | C3E | C2E | H28 | 67.1° | 56.9° |
| C3E | C2E | C1E | O5E | 62.2° | 57.6° |
| C3E | C2E | C1E | O2E | 128.7° | 119.9° |
| C3E | C2E | C1E | H28 | 113.4° | 119.9° |
| C3E | C2E | C1E | O2D | 179.7° | 177.5° |
| C3E | C2E | O2E | H28 | 118.2° | 120.2° |
| C3E | C2E | C1E | H19 | 56.7° | 62.3° |
| C2E | C3E | C4E | H24 | 63.7° | 63.0° |
| C2E | C3E | O3E | H27 | 61.6° | 60.5° |
| C3E | C2E | O2E | H29 | 180.0° | 179.7° |
| C3D | C4D | C5D | H14 | 119.0° | 119.9° |
| C4D | C3D | C2D | H16 | 124.4° | 119.9° |
| C4D | C3D | C2D | O2D | 166.3° | 176.9° |
| C4D | C3D | C2D | C1D | 45.1° | 57.0° |
| C3D | C4D | C5D | C6D | 173.0° | 177.6° |
| C3D | C4D | C5D | O5D | 54.1° | 57.6° |
| C3D | C4D | C5D | H13 | 60.1° | 62.4° |
| C3D | C4D | O4D | H15 | 180.0° | 180.0° |
| C4D | C3D | O3D | H17 | 180.0° | 60.1° |
| C4D | C3D | C2D | H18 | 73.0° | 62.9° |
| C5D | C4D | C3D | C2D | 55.4° | 57.0° |
| C4D | C5D | C6D | O5D | 129.8° | 120.0° |
| C4D | C5D | C6D | H13 | 112.8° | 120.0° |
| C4D | C5D | C6D | O6D | 173.6° | 175.1° |
| C4D | C5D | O5D | H13 | 113.6° | 120.0° |
| C4D | C5D | O5D | C1D | 49.1° | 61.2° |
| C4D | C5D | C6D | H11 | 53.1° | 65.0° |
| C4D | C5D | C6D | H12 | 65.8° | 55.0° |
| C5D | C4D | O4D | H15 | 61.0° | 60.3° |
| C5D | C4D | C3D | H16 | 68.6° | 62.9° |
| C3D | C2D | O2D | C1E | 113.7° | 96.0° |
| C3D | C2D | O2D | C1D | 121.5° | 119.7° |
| C3D | C2D | O2D | H18 | 118.7° | 120.2° |
| C3D | C2D | C1D | H18 | 117.9° | 120.0° |
| C3D | C2D | C1D | O5D | 34.1° | 57.6° |
| C3D | C2D | C1D | O2C | 178.0° | 177.6° |
| C2D | C3D | C4D | H14 | 63.8° | 62.9° |
| C2D | C3D | O3D | H17 | 60.4° | 179.6° |
| C3D | C2D | C1D | H30 | 73.1° | 62.3° |
| O5E | C1E | C2E | O2D | 117.4° | 119.9° |
| O5E | C1E | C2E | H19 | 119.0° | 119.9° |
| O5E | C1E | O2D | H19 | 123.1° | 120.0° |
| O5E | C1E | O2D | C2D | 83.3° | 65.6° |
| O5E | C1E | C2E | O2E | 169.0° | 177.5° |
| C1E | O5E | C5E | H20 | 54.0° | 58.8° |
| O5E | C1E | C2E | H28 | 51.2° | 62.3° |
| C2E | C1E | O2D | H19 | 121.6° | 120.1° |
| C2E | C1E | O2D | C2D | 161.4° | 174.5° |
| C1E | C2E | O2E | H28 | 116.7° | 120.1° |
| C1E | C2E | C3E | H26 | 58.7° | 62.9° |
| C1E | C2E | O2E | H29 | 54.9° | 60.0° |
| C1E | O2D | C2D | C1D | 124.8° | 144.3° |
| O2D | C1E | C2E | O2E | 51.6° | 62.5° |
| C1E | O2D | C2D | H18 | 5.0° | 24.2° |
| O2D | C1E | C2E | H28 | 66.3° | 57.6° |
| O2D | C2D | C1D | H18 | 121.3° | 120.1° |
| O2D | C2D | C1D | O5D | 154.9° | 177.5° |
| O2D | C2D | C1D | O2C | 61.2° | 62.5° |
| O2D | C2D | C3D | H16 | 41.9° | 56.9° |
| C2D | O2D | C1E | H19 | 39.8° | 54.4° |
| O2D | C2D | C1D | H30 | 47.7° | 57.6° |
| C2D | C1D | O5D | C5D | 39.0° | 61.2° |
| C2D | C1D | O5D | O2C | 144.3° | 120.0° |
| C2D | C1D | O5D | H30 | 106.5° | 120.0° |
| C2D | C1D | O2C | H30 | 107.9° | 120.1° |
| C2D | C1D | O2C | C2C | 127.0° | 174.9° |
| C1D | C2D | C3D | H16 | 79.4° | 62.9° |
| O2E | C2E | C1E | H19 | 72.0° | 57.6° |
| O2E | C2E | C3E | H26 | 68.6° | 56.9° |
| C5D | C6D | O6D | H11 | 120.5° | 120.0° |
| C5D | C6D | O6D | H12 | 120.5° | 120.0° |
| C6D | C5D | O5D | H13 | 116.8° | 120.0° |
| C6D | C5D | O5D | C1D | 178.7° | 178.8° |
| C5D | C6D | O6D | C9F | 90.1° | 180.0° |
| C5D | C6D | H11 | H12 | 118.3° | 120.0° |
| C6D | C5D | C4D | H14 | 68.0° | 57.7° |
| O6D | C6D | C5D | O5D | 56.6° | 65.0° |
| C6D | O6D | C9F | O9F | 0.8° | 0.1° |
| C6D | O6D | C9F | C8F | 172.2° | 180.0° |
| O6D | C6D | H11 | H12 | 118.4° | 120.0° |
| O6D | C6D | C5D | H13 | 60.8° | 55.1° |
| C5D | O5D | C1D | O2C | 176.6° | 178.8° |
| O5D | C5D | C6D | H11 | 177.2° | 55.0° |
| O5D | C5D | C6D | H12 | 63.9° | 175.0° |
| O5D | C5D | C4D | H14 | 64.9° | 62.3° |
| C5D | O5D | C1D | H30 | 67.5° | 58.8° |
| O5D | C1D | O2C | H30 | 108.7° | 120.0° |
| O5D | C1D | O2C | C2C | 89.6° | 65.2° |
| C1D | O5D | C5D | H13 | 64.5° | 58.8° |
| O5D | C1D | C2D | H18 | 83.7° | 62.4° |
| C1D | O2C | C2C | C3C | 122.9° | 96.1° |
| C1D | O2C | C2C | C1C | 112.3° | 144.2° |
| O2C | C1D | C2D | H18 | 60.1° | 57.6° |
| C1D | O2C | C2C | H31 | 2.9° | 24.1° |
| O9F | C9F | O6D | C8F | 171.5° | 179.9° |
| O9F | C9F | C8F | C7F | 3.0° | 0.1° |
| O9F | C9F | C8F | H9 | 177.0° | 180.0° |
| O2C | C2C | C3C | C4C | 67.7° | 62.9° |
| O2C | C2C | C3C | C1C | 127.0° | 119.9° |
| O2C | C2C | C3C | H31 | 121.0° | 120.1° |
| O2C | C2C | C1C | H31 | 116.1° | 120.1° |
| O2C | C2C | C1C | O5C | 71.3° | 62.3° |
| O2C | C2C | C3C | O3C | 58.2° | 57.0° |
| O2C | C2C | C1C | O27 | 165.5° | 177.7° |
| C2C | O2C | C1D | H30 | 19.1° | 54.8° |
| O2C | C2C | C3C | H32 | 176.9° | 177.2° |
| O2C | C2C | C1C | H40 | 47.3° | 57.7° |
| O6D | C9F | C8F | C7F | 174.9° | 180.0° |
| O6D | C9F | C8F | H9 | 5.1° | 0.1° |
| C9F | O6D | C6D | H11 | 149.4° | 60.0° |
| C9F | O6D | C6D | H12 | 30.5° | 60.0° |
| C9F | C8F | C7F | H9 | 180.0° | 179.9° |
| C9F | C8F | C7F | C1F | 178.2° | 180.0° |
| C9F | C8F | C7F | H7 | 1.8° | 0.0° |
| C6C | C5C | C4C | O5C | 126.4° | 119.9° |
| C6C | C5C | C4C | H36 | 116.5° | 120.0° |
| C6C | C5C | C4C | C3C | 172.6° | 177.6° |
| C6C | C5C | C4C | O4C | 70.3° | 62.5° |
| C6C | C5C | O5C | H36 | 115.0° | 120.0° |
| C6C | C5C | O5C | C1C | 178.0° | 178.9° |
| C6C | C5C | C4C | H34 | 54.1° | 57.7° |
| C5C | C6C | H37 | H38 | 120.0° | 120.0° |
| C5C | C6C | H37 | H39 | 120.0° | 120.0° |
| C5C | C6C | H38 | H39 | 120.0° | 120.0° |
| C5C | C4C | C3C | O4C | 121.9° | 119.9° |
| C5C | C4C | C3C | H34 | 118.3° | 119.9° |
| C5C | C4C | O4C | H34 | 123.2° | 120.2° |
| C5C | C4C | C3C | C2C | 51.8° | 57.0° |
| C4C | C5C | O5C | H36 | 116.0° | 120.1° |
| C4C | C5C | O5C | C1C | 52.9° | 61.2° |
| C5C | C4C | C3C | O3C | 176.1° | 176.9° |
| C5C | C4C | C3C | H32 | 63.5° | 62.9° |
| C5C | C4C | O4C | H35 | 180.0° | 66.0° |
| C4C | C5C | C6C | H37 | 180.0° | 65.5° |
| C4C | C5C | C6C | H38 | 60.0° | 174.5° |
| C4C | C5C | C6C | H39 | 60.0° | 54.5° |
| C3C | C4C | O4C | H34 | 118.4° | 120.1° |
| C4C | C3C | C2C | O3C | 125.9° | 119.9° |
| C4C | C3C | C2C | H32 | 115.4° | 119.9° |
| C4C | C3C | C2C | C1C | 59.3° | 57.0° |
| C3C | C4C | C5C | O5C | 46.2° | 57.6° |
| C4C | C3C | O3C | H32 | 118.8° | 120.2° |
| C4C | C3C | C2C | H31 | 171.3° | 177.0° |
| C4C | C3C | O3C | H33 | 180.0° | 60.3° |
| C3C | C4C | O4C | H35 | 61.5° | 174.4° |
| C3C | C4C | C5C | H36 | 71.0° | 62.4° |
| O4C | C4C | C3C | C2C | 173.7° | 176.9° |
| O4C | C4C | C5C | O5C | 163.3° | 177.6° |
| O4C | C4C | C3C | O3C | 61.9° | 63.2° |
| O4C | C4C | C3C | H32 | 58.4° | 57.0° |
| O4C | C4C | C5C | H36 | 46.2° | 57.5° |
| C3C | C2C | C1C | H31 | 111.5° | 120.0° |
| C3C | C2C | C1C | O5C | 61.1° | 57.6° |
| C2C | C3C | O3C | H32 | 116.8° | 120.2° |
| C3C | C2C | C1C | O27 | 62.1° | 62.4° |
| C2C | C3C | O3C | H33 | 55.6° | 179.9° |
| C2C | C3C | C4C | H34 | 66.5° | 62.9° |
| C3C | C2C | C1C | H40 | 179.7° | 177.6° |
| C2C | C1C | O5C | C5C | 61.2° | 61.2° |
| C2C | C1C | O5C | O27 | 124.0° | 120.0° |
| C2C | C1C | O5C | H40 | 117.5° | 120.0° |
| C1C | C2C | C3C | O3C | 174.8° | 176.9° |
| C2C | C1C | O27 | H40 | 117.5° | 120.0° |
| C2C | C1C | O27 | C10 | 130.1° | 165.7° |
| C1C | C2C | C3C | H32 | 56.1° | 62.9° |
| C5C | O5C | C1C | O27 | 62.8° | 58.8° |
| O5C | C5C | C4C | H34 | 72.2° | 62.2° |
| O5C | C5C | C6C | H37 | 52.1° | 174.5° |
| O5C | C5C | C6C | H38 | 68.0° | 54.6° |
| O5C | C5C | C6C | H39 | 172.0° | 65.4° |
| C5C | O5C | C1C | H40 | 178.7° | 178.8° |
| O5C | C1C | O27 | H40 | 119.1° | 120.0° |
| O5C | C1C | O27 | C10 | 106.5° | 74.3° |
| O5C | C1C | C2C | H31 | 172.6° | 177.6° |
| C1C | O5C | C5C | H36 | 63.0° | 58.9° |
| O3C | C3C | C2C | H31 | 62.8° | 63.1° |
| O3C | C3C | C4C | H34 | 57.9° | 57.0° |
| O2B | C2B | C1B | O5B | 65.3° | 62.3° |
| O2B | C2B | C1B | C3B | 123.2° | 119.9° |
| O2B | C2B | C1B | H67 | 120.6° | 120.2° |
| O2B | C2B | C1B | O4A | 171.5° | 177.7° |
| O2B | C2B | C3B | H67 | 122.2° | 120.2° |
| O2B | C2B | C3B | C4B | 69.5° | 62.9° |
| O2B | C2B | C3B | O3B | 54.2° | 56.9° |
| O2B | C2B | C1B | H58 | 56.0° | 57.7° |
| O2B | C2B | C3B | H65 | 173.1° | 177.1° |
| C6B | C5B | O5B | C1B | 179.7° | 178.9° |
| C6B | C5B | O5B | C4B | 127.1° | 120.0° |
| C6B | C5B | O5B | H59 | 115.8° | 120.0° |
| C6B | C5B | C4B | H59 | 117.1° | 120.0° |
| C6B | C5B | C4B | C3B | 167.3° | 177.6° |
| C6B | C5B | C4B | O4B | 70.2° | 62.5° |
| C5B | C6B | H60 | H61 | 120.0° | 120.0° |
| C5B | C6B | H60 | H62 | 120.0° | 120.0° |
| C5B | C6B | H61 | H62 | 120.0° | 120.0° |
| C6B | C5B | C4B | H63 | 49.9° | 57.8° |
| C1C | O27 | C10 | C9 | 82.5° | 62.5° |
| C1C | O27 | C10 | C11 | 139.9° | 117.4° |
| O27 | C1C | C2C | H31 | 49.4° | 57.6° |
| O5B | C1B | C2B | O4A | 123.1° | 120.0° |
| O5B | C1B | C2B | H58 | 121.3° | 120.0° |
| O5B | C1B | O4A | H58 | 122.3° | 120.0° |
| C1B | O5B | C5B | C4B | 52.6° | 61.2° |
| O5B | C1B | C2B | C3B | 57.9° | 57.6° |
| O5B | C1B | O4A | C4A | 63.8° | 65.0° |
| C1B | O5B | C5B | H59 | 64.6° | 58.8° |
| O5B | C1B | C2B | H67 | 174.1° | 177.5° |
| C5B | O5B | C1B | C2B | 59.6° | 61.2° |
| C5B | O5B | C1B | O4A | 60.8° | 58.8° |
| O5B | C5B | C4B | H59 | 118.2° | 120.0° |
| O5B | C5B | C4B | C3B | 42.5° | 57.6° |
| O5B | C5B | C4B | O4B | 165.1° | 177.5° |
| C5B | O5B | C1B | H58 | 178.5° | 178.8° |
| O5B | C5B | C6B | H60 | 180.0° | 60.0° |
| O5B | C5B | C6B | H61 | 60.0° | 180.0° |
| O5B | C5B | C6B | H62 | 60.0° | 60.0° |
| O5B | C5B | C4B | H63 | 74.8° | 62.2° |
| C8F | C7F | C1F | H7 | 180.0° | 180.0° |
| C8F | C7F | C1F | C2F | 150.9° | 180.0° |
| C8F | C7F | C1F | C6F | 29.8° | 0.5° |
| C7F | C1F | C2F | C6F | 179.3° | 179.5° |
| C7F | C1F | C2F | C3F | 178.1° | 180.0° |
| C7F | C1F | C6F | C5F | 178.6° | 179.9° |
| C7F | C1F | C2F | H2 | 1.9° | 0.3° |
| C7F | C1F | C6F | H6 | 1.3° | 0.2° |
| C1F | C7F | C8F | H9 | 1.8° | 0.0° |
| C2B | C1B | O4A | H58 | 114.4° | 120.0° |
| C1B | C2B | C3B | H67 | 116.1° | 119.9° |
| C1B | C2B | C3B | C4B | 52.2° | 57.0° |
| C1B | C2B | C3B | O3B | 175.9° | 176.9° |
| C2B | C1B | O4A | C4A | 172.9° | 175.0° |
| C1B | C2B | C3B | H65 | 65.1° | 63.0° |
| C1B | C2B | O2B | H68 | 180.0° | 59.9° |
| O4A | C1B | C2B | C3B | 65.2° | 62.4° |
| C1B | O4A | C4A | C5A | 80.8° | 90.0° |
| C1B | O4A | C4A | C3A | 159.0° | 150.3° |
| C1B | O4A | C4A | H57 | 37.6° | 30.1° |
| O4A | C1B | C2B | H67 | 51.0° | 57.5° |
| C5B | C4B | C3B | C2B | 46.7° | 57.0° |
| C5B | C4B | C3B | O4B | 120.0° | 119.9° |
| C5B | C4B | C3B | H63 | 117.4° | 119.8° |
| C5B | C4B | O4B | H63 | 118.1° | 120.1° |
| C5B | C4B | C3B | O3B | 167.5° | 176.8° |
| C4B | C5B | C6B | H60 | 53.6° | 60.0° |
| C4B | C5B | C6B | H61 | 173.6° | 60.0° |
| C4B | C5B | C6B | H62 | 66.4° | 180.0° |
| C5B | C4B | O4B | H64 | 180.0° | 60.0° |
| C5B | C4B | C3B | H65 | 70.8° | 63.0° |
| C2B | C3B | C4B | O3B | 120.8° | 119.9° |
| C2B | C3B | C4B | H65 | 117.5° | 119.9° |
| C2B | C3B | C4B | O4B | 166.7° | 176.9° |
| C2B | C3B | O3B | H65 | 117.7° | 120.2° |
| C3B | C2B | C1B | H58 | 179.3° | 177.6° |
| C2B | C3B | C4B | H63 | 70.7° | 62.9° |
| C2B | C3B | O3B | H66 | 180.0° | 60.4° |
| C3B | C2B | O2B | H68 | 58.9° | 179.6° |
| O25 | C16 | C15 | C17 | 179.8° | 180.0° |
| O25 | C16 | C15 | C14 | 179.0° | 180.0° |
| O25 | C16 | C17 | O24 | 0.7° | 0.0° |
| O25 | C16 | C17 | C18 | 180.0° | 179.8° |
| O25 | C16 | C15 | H46 | 1.0° | 0.0° |
| C3B | C4B | O4B | H63 | 120.7° | 120.2° |
| C4B | C3B | O3B | H65 | 120.3° | 120.2° |
| C3B | C4B | C5B | H59 | 75.6° | 62.4° |
| C3B | C4B | O4B | H64 | 58.7° | 179.6° |
| C4B | C3B | O3B | H66 | 58.0° | 180.0° |
| C4B | C3B | C2B | H67 | 168.3° | 176.9° |
| O4B | C4B | C3B | O3B | 72.5° | 63.2° |
| O4B | C4B | C5B | H59 | 46.9° | 57.5° |
| O4B | C4B | C3B | H65 | 49.2° | 57.0° |
| O13 | C9 | C10 | O27 | 31.3° | 0.0° |
| O13 | C9 | C10 | C3 | 174.7° | 179.9° |
| O13 | C9 | C10 | C11 | 169.2° | 179.9° |
| O13 | C9 | C3 | C2 | 4.9° | 0.0° |
| O13 | C9 | C3 | C4 | 179.5° | 179.9° |
| O27 | C10 | C9 | C11 | 137.8° | 179.9° |
| O27 | C10 | C9 | C3 | 153.9° | 180.0° |
| O27 | C10 | C11 | C14 | 39.4° | 0.1° |
| O27 | C10 | C11 | O12 | 165.4° | 180.0° |
| C10 | O27 | C1C | H40 | 12.5° | 45.7° |
| C1F | C2F | C3F | H2 | 180.0° | 179.7° |
| C2F | C1F | C6F | C5F | 0.7° | 0.6° |
| C1F | C2F | C3F | O3F | 179.6° | 179.7° |
| C1F | C2F | C3F | C4F | 2.3° | 0.3° |
| C2F | C1F | C6F | H6 | 179.3° | 179.7° |
| C2F | C1F | C7F | H7 | 29.1° | 0.0° |
| C6F | C1F | C2F | C3F | 1.2° | 0.5° |
| C1F | C6F | C5F | H6 | 180.0° | 179.7° |
| C1F | C6F | C5F | C4F | 1.3° | 0.3° |
| C6F | C1F | C2F | H2 | 178.8° | 179.8° |
| C1F | C6F | C5F | H5 | 178.7° | 179.7° |
| C6F | C1F | C7F | H7 | 150.2° | 179.5° |
| O5A | C5A | C4A | H55 | 120.4° | 120.0° |
| O5A | C5A | C4A | H56 | 120.4° | 119.9° |
| O5A | C5A | C4A | O4A | 178.6° | 177.5° |
| O5A | C5A | C4A | C3A | 54.9° | 57.6° |
| C5A | O5A | C1A | O24 | 177.6° | 178.9° |
| C5A | O5A | C1A | C2A | 60.2° | 61.2° |
| C5A | O5A | C1A | H50 | 59.6° | 58.9° |
| O5A | C5A | H55 | H56 | 118.8° | 120.0° |
| O5A | C5A | C4A | H57 | 61.6° | 62.4° |
| C5A | C4A | O4A | C3A | 120.2° | 119.7° |
| C5A | C4A | O4A | H57 | 118.4° | 120.1° |
| C4A | C5A | O5A | C1A | 61.1° | 61.1° |
| C5A | C4A | C3A | H57 | 117.0° | 119.9° |
| C5A | C4A | C3A | O3A | 170.3° | 176.8° |
| C5A | C4A | C3A | C2A | 54.0° | 57.0° |
| C5A | C4A | C3A | H53 | 68.4° | 63.0° |
| C4A | C5A | H55 | H56 | 118.9° | 120.1° |
| O3B | C3B | C4B | H63 | 50.1° | 57.0° |
| O3B | C3B | C2B | H67 | 68.1° | 63.2° |
| O4A | C4A | C3A | H57 | 122.9° | 120.2° |
| O4A | C4A | C3A | O3A | 69.6° | 63.3° |
| O4A | C4A | C3A | C2A | 174.1° | 176.9° |
| O4A | C4A | C3A | H53 | 51.7° | 56.9° |
| O4A | C4A | C5A | H55 | 61.0° | 62.5° |
| O4A | C4A | C5A | H56 | 58.3° | 57.6° |
| C4A | O4A | C1B | H58 | 58.5° | 55.0° |
| O5A | C1A | O24 | C2A | 118.8° | 119.9° |
| O5A | C1A | O24 | H50 | 122.7° | 120.0° |
| O5A | C1A | C2A | H50 | 121.2° | 120.0° |
| O5A | C1A | O24 | C17 | 74.9° | 65.1° |
| O5A | C1A | C2A | C3A | 57.3° | 57.6° |
| O5A | C1A | C2A | O2A | 172.3° | 177.5° |
| O5A | C1A | C2A | H51 | 64.5° | 62.3° |
| C1A | O5A | C5A | H55 | 178.5° | 178.8° |
| C1A | O5A | C5A | H56 | 59.3° | 58.8° |
| C2F | C3F | O3F | C4F | 177.2° | 180.0° |
| C2F | C3F | C4F | C5F | 2.7° | 0.0° |
| C2F | C3F | C4F | O4F | 179.6° | 180.0° |
| C2F | C3F | O3F | H3 | 180.0° | 90.0° |
| C4A | C3A | C2A | C1A | 55.1° | 57.0° |
| C4A | C3A | O3A | C2A | 117.5° | 119.6° |
| C4A | C3A | O3A | H53 | 119.4° | 120.3° |
| C4A | C3A | C2A | H53 | 121.9° | 120.0° |
| C4A | C3A | C2A | O2A | 170.5° | 176.9° |
| C4A | C3A | C2A | H51 | 66.4° | 62.9° |
| C4A | C3A | O3A | H54 | 180.0° | 179.6° |
| C3A | C4A | C5A | H55 | 175.3° | 177.6° |
| C3A | C4A | C5A | H56 | 65.4° | 62.3° |
| C9 | C10 | C11 | C14 | 179.2° | 180.0° |
| C9 | C10 | C11 | O12 | 25.6° | 0.1° |
| C10 | C9 | C3 | C2 | 179.3° | 179.9° |
| C10 | C9 | C3 | C4 | 5.1° | 0.0° |
| C10 | C11 | C14 | C15 | 42.0° | 48.5° |
| C11 | C10 | C9 | C3 | 16.1° | 0.1° |
| C10 | C11 | C14 | O12 | 154.3° | 179.9° |
| C10 | C11 | C14 | C19 | 137.0° | 131.8° |
| C10 | C11 | O12 | C4 | 27.9° | 0.1° |
| C16 | C15 | C14 | H46 | 180.0° | 180.0° |
| C16 | C15 | C14 | C11 | 180.0° | 180.0° |
| C16 | C15 | C14 | C19 | 1.0° | 0.2° |
| C15 | C16 | C17 | O24 | 179.5° | 180.0° |
| C15 | C16 | C17 | C18 | 0.2° | 0.2° |
| C15 | C16 | O25 | H47 | 180.0° | 84.7° |
| C14 | C15 | C16 | C17 | 1.2° | 0.0° |
| C15 | C14 | C11 | C19 | 179.0° | 179.7° |
| C15 | C14 | C11 | O12 | 112.3° | 131.4° |
| C15 | C14 | C19 | C18 | 0.1° | 0.2° |
| C15 | C14 | C19 | H48 | 179.9° | 179.7° |
| C16 | C17 | O24 | C1A | 108.1° | 90.0° |
| C16 | C17 | O24 | C18 | 179.3° | 179.8° |
| C16 | C17 | C18 | C19 | 0.9° | 0.3° |
| C16 | C17 | C18 | O23 | 178.1° | 179.8° |
| C17 | C16 | C15 | H46 | 178.8° | 180.0° |
| C17 | C16 | O25 | H47 | 0.2° | 95.3° |
| C9 | C3 | C2 | O30 | 6.0° | 0.0° |
| C9 | C3 | C2 | C4 | 175.5° | 179.9° |
| C9 | C3 | C2 | C1 | 177.5° | 180.0° |
| C9 | C3 | C4 | O12 | 3.6° | 0.0° |
| C9 | C3 | C4 | C5 | 177.3° | 180.0° |
| C6F | C5F | C4F | C3F | 2.3° | 0.0° |
| C6F | C5F | C4F | H5 | 180.0° | 180.0° |
| C6F | C5F | C4F | O4F | 179.8° | 180.0° |
| O30 | C2 | C3 | C1 | 176.5° | 180.0° |
| O30 | C2 | C3 | C4 | 178.4° | 179.9° |
| O30 | C2 | C1 | C6 | 177.0° | 180.0° |
| O30 | C2 | C1 | H1 | 3.0° | 0.3° |
| C14 | C11 | O12 | C4 | 176.7° | 180.0° |
| C11 | C14 | C19 | C18 | 179.0° | 179.9° |
| C11 | C14 | C15 | H46 | 0.1° | 0.1° |
| C11 | C14 | C19 | H48 | 1.0° | 0.1° |
| C19 | C14 | C11 | O12 | 68.7° | 48.3° |
| C14 | C19 | C18 | C17 | 1.1° | 0.0° |
| C14 | C19 | C18 | H48 | 180.0° | 179.9° |
| C14 | C19 | C18 | O23 | 178.0° | 180.0° |
| C19 | C14 | C15 | H46 | 179.0° | 179.8° |
| O3F | C3F | C4F | C5F | 179.8° | 180.0° |
| O3F | C3F | C4F | O4F | 2.5° | 0.0° |
| O3F | C3F | C2F | H2 | 0.4° | 0.1° |
| C3F | C4F | C5F | O4F | 177.6° | 180.0° |
| C4F | C3F | C2F | H2 | 177.7° | 179.9° |
| C4F | C3F | O3F | H3 | 2.8° | 90.0° |
| C3F | C4F | O4F | H4 | 180.0° | 90.0° |
| C3F | C4F | C5F | H5 | 177.8° | 180.0° |
| C11 | O12 | C4 | C3 | 16.3° | 0.0° |
| C11 | O12 | C4 | C5 | 164.6° | 180.0° |
| O24 | C1A | C2A | H50 | 120.1° | 120.0° |
| C1A | O24 | C17 | C18 | 72.6° | 89.8° |
| O24 | C1A | C2A | C3A | 176.1° | 177.6° |
| O24 | C1A | C2A | O2A | 68.9° | 62.6° |
| O24 | C1A | C2A | H51 | 54.2° | 57.6° |
| C2A | C1A | O24 | C17 | 166.3° | 175.0° |
| C1A | C2A | C3A | O3A | 169.0° | 176.9° |
| C1A | C2A | C3A | O2A | 115.4° | 119.9° |
| C1A | C2A | C3A | H51 | 121.5° | 120.0° |
| C1A | C2A | O2A | H51 | 121.2° | 120.2° |
| C1A | C2A | O2A | H52 | 180.0° | 60.1° |
| C1A | C2A | C3A | H53 | 66.8° | 63.0° |
| O24 | C17 | C18 | C19 | 178.5° | 180.0° |
| O24 | C17 | C18 | O23 | 1.3° | 0.0° |
| C17 | O24 | C1A | H50 | 47.8° | 54.9° |
| C17 | C18 | C19 | O23 | 176.9° | 180.0° |
| C17 | C18 | C19 | H48 | 178.9° | 179.9° |
| C17 | C18 | O23 | H49 | 180.0° | 89.9° |
| C2 | C3 | C4 | O12 | 179.6° | 179.9° |
| C2 | C3 | C4 | C5 | 1.3° | 0.1° |
| C3 | C2 | C1 | C6 | 0.6° | 0.1° |
| C3 | C2 | C1 | H1 | 179.4° | 179.7° |
| C3 | C2 | O30 | H42 | 3.4° | 89.9° |
| C4 | C3 | C2 | C1 | 2.0° | 0.1° |
| C3 | C4 | O12 | C5 | 179.1° | 180.0° |
| C3 | C4 | C5 | C6 | 0.6° | 0.1° |
| C3 | C4 | C5 | H44 | 179.4° | 179.9° |
| O3A | C3A | C2A | H53 | 124.3° | 120.1° |
| O3A | C3A | C2A | O2A | 75.6° | 63.3° |
| O3A | C3A | C2A | H51 | 47.5° | 56.9° |
| O3A | C3A | C4A | H57 | 53.3° | 56.9° |
| C3A | C2A | O2A | H51 | 121.6° | 120.2° |
| C3A | C2A | C1A | H50 | 63.9° | 62.4° |
| C3A | C2A | O2A | H52 | 62.8° | 179.7° |
| C2A | C3A | O3A | H54 | 62.5° | 60.0° |
| C2A | C3A | C4A | H57 | 63.0° | 62.9° |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C2 | C1 | C6 | C5 | 1.4° | 0.0° |
| C2 | C1 | C6 | O29 | 179.1° | 179.8° |
| C1 | C2 | O30 | H42 | 180.0° | 90.0° |
| O2A | C2A | C1A | H50 | 51.1° | 57.5° |
| O2A | C2A | C3A | H53 | 48.7° | 56.9° |
| C5F | C4F | O4F | H4 | 2.4° | 90.0° |
| C4F | C5F | C6F | H6 | 178.8° | 180.0° |
| O4F | C4F | C5F | H5 | 0.2° | 0.0° |
| O12 | C4 | C5 | C6 | 178.5° | 179.9° |
| O12 | C4 | C5 | H44 | 1.5° | 0.1° |
| C19 | C18 | O23 | H49 | 2.8° | 90.0° |
| C4 | C5 | C6 | C1 | 1.9° | 0.1° |
| C4 | C5 | C6 | H44 | 180.0° | 180.0° |
| C4 | C5 | C6 | O29 | 178.5° | 179.8° |
| O23 | C18 | C19 | H48 | 2.0° | 0.1° |
| C1 | C6 | C5 | O29 | 179.5° | 179.7° |
| C1 | C6 | O29 | H43 | 180.0° | 90.0° |
| C1 | C6 | C5 | H44 | 178.1° | 180.0° |
| C5 | C6 | C1 | H1 | 178.6° | 179.7° |
| C5 | C6 | O29 | H43 | 0.5° | 90.2° |
| O29 | C6 | C1 | H1 | 0.9° | 0.0° |
| O29 | C6 | C5 | H44 | 1.5° | 0.2° |
| H5 | C5F | C6F | H6 | 1.2° | 0.0° |
| H7 | C7F | C8F | H9 | 178.2° | 179.9° |
| H11 | C6D | C5D | H13 | 59.8° | 175.0° |
| H12 | C6D | C5D | H13 | 178.7° | 65.0° |
| H13 | C5D | C4D | H14 | 179.1° | 177.7° |
| H14 | C4D | O4D | H15 | 58.9° | 59.9° |
| H14 | C4D | C3D | H16 | 172.3° | 177.2° |
| H16 | C3D | O3D | H17 | 58.1° | 60.2° |
| H16 | C3D | C2D | H18 | 162.5° | 177.1° |
| H18 | C2D | C1D | H30 | 169.1° | 177.7° |
| H19 | C1E | C2E | H28 | 170.2° | 177.7° |
| H20 | C5E | C6E | H21 | 158.2° | 65.6° |
| H20 | C5E | C6E | H22 | 82.0° | 174.4° |
| H20 | C5E | C4E | H24 | 178.2° | 177.7° |
| H21 | C6E | O6E | H23 | 59.9° | 55.1° |
| H22 | C6E | O6E | H23 | 59.8° | 65.0° |
| H24 | C4E | O4E | H25 | 58.0° | 59.9° |
| H24 | C4E | C3E | H26 | 177.1° | 177.1° |
| H26 | C3E | O3E | H27 | 57.8° | 59.8° |
| H26 | C3E | C2E | H28 | 172.1° | 177.1° |
| H28 | C2E | O2E | H29 | 61.8° | 60.1° |
| H31 | C2C | C3C | H32 | 55.9° | 57.1° |
| H31 | C2C | C1C | H40 | 68.8° | 62.4° |
| H32 | C3C | O3C | H33 | 61.2° | 59.8° |
| H32 | C3C | C4C | H34 | 178.2° | 177.2° |
| H34 | C4C | O4C | H35 | 56.9° | 54.3° |
| H34 | C4C | C5C | H36 | 170.6° | 177.7° |
| H36 | C5C | C6C | H37 | 63.8° | 54.5° |
| H36 | C5C | C6C | H38 | 176.2° | 65.4° |
| H36 | C5C | C6C | H39 | 56.2° | 174.6° |
| H37 | C6C | H38 | H39 | 120.0° | 120.0° |
| H50 | C1A | C2A | H51 | 174.2° | 177.7° |
| H51 | C2A | O2A | H52 | 58.8° | 60.2° |
| H51 | C2A | C3A | H53 | 171.8° | 177.0° |
| H53 | C3A | O3A | H54 | 60.5° | 60.1° |
| H53 | C3A | C4A | H57 | 174.6° | 177.1° |
| H55 | C5A | C4A | H57 | 58.7° | 57.7° |
| H56 | C5A | C4A | H57 | 178.0° | 177.7° |
| H58 | C1B | C2B | H67 | 64.6° | 62.5° |
| H59 | C5B | C6B | H60 | 63.3° | 180.0° |
| H59 | C5B | C6B | H61 | 56.7° | 59.9° |
| H59 | C5B | C6B | H62 | 176.7° | 60.1° |
| H59 | C5B | C4B | H63 | 167.0° | 177.7° |
| H60 | C6B | H61 | H62 | 120.0° | 120.0° |
| H63 | C4B | O4B | H64 | 61.9° | 60.2° |
| H63 | C4B | C3B | H65 | 171.8° | 177.2° |
| H65 | C3B | O3B | H66 | 62.3° | 59.8° |
| H65 | C3B | C2B | H67 | 50.9° | 57.0° |
| H67 | C2B | O2B | H68 | 61.4° | 60.2° |
