R2F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | N1A | sing | 1.46Å | 1.46Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | N1A | sing | 1.47Å | 1.46Å | |
| N1A | C5A | sing | 1.40Å | 1.41Å | |
| C6A | C5A | doub | 1.39Å | 1.39Å | Aromatic |
| C6A | C1A | sing | 1.39Å | 1.40Å | Aromatic |
| C5A | C4A | sing | 1.39Å | 1.39Å | Aromatic |
| O1B | C1A | sing | 1.35Å | 1.37Å | |
| O1B | C4B | sing | 1.35Å | 1.38Å | |
| C1A | C2A | doub | 1.39Å | 1.40Å | Aromatic |
| C4A | C3A | doub | 1.38Å | 1.39Å | Aromatic |
| C3C | C4B | sing | 1.39Å | 1.40Å | Aromatic |
| C3C | C4C | doub | 1.39Å | 1.40Å | Aromatic |
| C4B | C1C | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | N1C | sing | 1.47Å | 1.46Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C2A | C3A | sing | 1.38Å | 1.39Å | Aromatic |
| C2A | C2C | sing | 1.50Å | 1.40Å | |
| N1C | C4C | sing | 1.40Å | 1.41Å | |
| N1C | C13 | sing | 1.47Å | 1.46Å | |
| C4C | C5C | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C1C | C2C | sing | 1.50Å | 1.40Å | |
| C1C | C6C | sing | 1.39Å | 1.40Å | Aromatic |
| C2C | C2P | sing | 1.51Å | 1.50Å | |
| C5C | C6C | doub | 1.38Å | 1.39Å | Aromatic |
| O1 | C2 | sing | 1.45Å | 1.43Å | |
| O1 | C7P | sing | 1.35Å | 1.46Å | |
| C2P | C3P | doub | 1.38Å | 1.40Å | Aromatic |
| C2P | C1P | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| O7P | C7P | doub | 1.21Å | 1.22Å | |
| C7P | C1P | sing | 1.48Å | 1.51Å | |
| C3P | C4P | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | O4 | sing | 1.43Å | 1.43Å | |
| C1P | C6P | doub | 1.40Å | 1.40Å | Aromatic |
| N2T | N1T | doub | 1.29Å | 1.40Å | Aromatic |
| N2T | N3T | sing | 1.29Å | 1.39Å | Aromatic |
| C4P | C5P | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | N3T | sing | 1.46Å | 1.46Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| N1T | C5T | sing | 1.34Å | 1.36Å | Aromatic |
| C6P | C5P | sing | 1.38Å | 1.39Å | Aromatic |
| N3T | C4T | sing | 1.35Å | 1.33Å | Aromatic |
| O4 | C5 | sing | 1.43Å | 1.43Å | |
| C5T | C4T | doub | 1.35Å | 1.39Å | Aromatic |
| C5T | C1 | sing | 1.51Å | 1.50Å | |
| C1 | O1F | sing | 1.43Å | 1.42Å | |
| O2F | C2F | sing | 1.43Å | 1.44Å | |
| O1F | C1F | sing | 1.43Å | 1.42Å | |
| C1F | C2F | sing | 1.53Å | 1.52Å | |
| C1F | O5F | sing | 1.43Å | 1.44Å | |
| C2F | C3F | sing | 1.53Å | 1.53Å | |
| O5F | C5F | sing | 1.43Å | 1.43Å | |
| C3F | O3F | sing | 1.43Å | 1.43Å | |
| C3F | C4F | sing | 1.53Å | 1.53Å | |
| C5F | C4F | sing | 1.53Å | 1.52Å | |
| C5F | C6F | sing | 1.53Å | 1.53Å | |
| C4F | O4F | sing | 1.43Å | 1.44Å | |
| C6P | H1 | sing | 1.08Å | 1.08Å | |
| C5P | H2 | sing | 1.08Å | 1.08Å | |
| C4P | H3 | sing | 1.08Å | 1.08Å | |
| C3P | H4 | sing | 1.08Å | 1.08Å | |
| C3A | H5 | sing | 1.08Å | 1.08Å | |
| C4A | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C6A | H17 | sing | 1.08Å | 1.08Å | |
| C3C | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C13 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C5C | H29 | sing | 1.08Å | 1.08Å | |
| C6C | H30 | sing | 1.08Å | 1.08Å | |
| C2 | H31 | sing | 1.09Å | 1.10Å | |
| C2 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| C3 | H34 | sing | 1.09Å | 1.10Å | |
| C5 | H35 | sing | 1.09Å | 1.10Å | |
| C5 | H36 | sing | 1.09Å | 1.10Å | |
| C6 | H37 | sing | 1.09Å | 1.10Å | |
| C6 | H38 | sing | 1.09Å | 1.10Å | |
| C4T | H39 | sing | 1.08Å | 1.08Å | |
| C1 | H40 | sing | 1.09Å | 1.10Å | |
| C1 | H41 | sing | 1.09Å | 1.10Å | |
| C1F | H42 | sing | 1.09Å | 1.10Å | |
| C2F | H43 | sing | 1.09Å | 1.10Å | |
| O2F | H44 | sing | 0.97Å | 0.95Å | |
| C3F | H45 | sing | 1.09Å | 1.10Å | |
| O3F | H46 | sing | 0.97Å | 0.95Å | |
| C4F | H47 | sing | 1.09Å | 1.10Å | |
| O4F | H48 | sing | 0.97Å | 0.95Å | |
| C5F | H49 | sing | 1.09Å | 1.10Å | |
| C6F | H50 | sing | 1.09Å | 1.10Å | |
| C6F | H51 | sing | 1.09Å | 1.10Å | |
| C6F | H52 | sing | 1.09Å | 1.10Å | |
| C2C | H53 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C21 | N1A | 111.4° | 109.5° |
| C22 | C21 | H7 | 109.0° | 109.5° |
| C22 | C21 | H8 | 109.0° | 109.4° |
| C21 | C22 | H9 | 109.5° | 109.5° |
| C21 | C22 | H10 | 109.5° | 109.5° |
| C21 | C22 | H11 | 109.4° | 109.4° |
| C21 | N1A | C11 | 119.9° | 119.9° |
| C21 | N1A | C5A | 119.1° | 120.0° |
| N1A | C21 | H7 | 109.0° | 109.5° |
| N1A | C21 | H8 | 109.0° | 109.5° |
| C12 | C11 | N1A | 110.3° | 109.5° |
| C12 | C11 | H12 | 109.3° | 109.5° |
| C12 | C11 | H13 | 109.3° | 109.5° |
| C11 | C12 | H14 | 109.5° | 109.5° |
| C11 | C12 | H15 | 109.4° | 109.5° |
| C11 | C12 | H16 | 109.5° | 109.5° |
| C11 | N1A | C5A | 121.0° | 120.0° |
| N1A | C11 | H12 | 109.3° | 109.5° |
| N1A | C11 | H13 | 109.3° | 109.4° |
| N1A | C5A | C6A | 120.5° | 120.0° |
| N1A | C5A | C4A | 120.1° | 120.1° |
| C5A | C6A | C1A | 120.6° | 120.1° |
| C6A | C5A | C4A | 119.4° | 119.9° |
| C5A | C6A | H17 | 119.7° | 120.0° |
| C6A | C1A | O1B | 119.9° | 119.2° |
| C6A | C1A | C2A | 119.9° | 119.8° |
| C1A | C6A | H17 | 119.7° | 120.0° |
| C5A | C4A | C3A | 120.1° | 120.0° |
| C5A | C4A | H6 | 120.0° | 120.0° |
| C1A | O1B | C4B | 120.7° | 120.1° |
| O1B | C1A | C2A | 120.2° | 121.0° |
| O1B | C4B | C3C | 120.0° | 119.2° |
| O1B | C4B | C1C | 120.0° | 121.0° |
| C1A | C2A | C3A | 119.3° | 119.9° |
| C1A | C2A | C2C | 120.2° | 120.8° |
| C4A | C3A | C2A | 120.8° | 120.3° |
| C4A | C3A | H5 | 119.6° | 119.8° |
| C3A | C4A | H6 | 120.0° | 120.0° |
| C4B | C3C | C4C | 120.6° | 120.1° |
| C3C | C4B | C1C | 120.0° | 119.8° |
| C4B | C3C | H18 | 119.7° | 119.9° |
| C3C | C4C | N1C | 121.6° | 120.1° |
| C3C | C4C | C5C | 119.2° | 119.8° |
| C4C | C3C | H18 | 119.7° | 120.0° |
| C4B | C1C | C2C | 120.2° | 120.8° |
| C4B | C1C | C6C | 119.2° | 120.0° |
| N1C | C23 | C24 | 109.8° | 109.5° |
| C23 | N1C | C4C | 120.3° | 120.0° |
| C23 | N1C | C13 | 118.9° | 120.0° |
| N1C | C23 | H19 | 109.4° | 109.4° |
| N1C | C23 | H20 | 109.4° | 109.4° |
| C24 | C23 | H19 | 109.4° | 109.5° |
| C24 | C23 | H20 | 109.4° | 109.5° |
| C23 | C24 | H21 | 109.5° | 109.5° |
| C23 | C24 | H22 | 109.5° | 109.5° |
| C23 | C24 | H23 | 109.5° | 109.5° |
| C3A | C2A | C2C | 120.6° | 119.3° |
| C2A | C3A | H5 | 119.6° | 119.8° |
| C2A | C2C | C1C | 118.7° | 110.6° |
| C2A | C2C | C2P | 121.6° | 109.2° |
| C2A | C2C | H53 | 90.1° | 109.3° |
| C4C | N1C | C13 | 120.7° | 120.0° |
| N1C | C4C | C5C | 119.1° | 120.1° |
| N1C | C13 | C14 | 112.9° | 109.5° |
| N1C | C13 | H24 | 108.6° | 109.4° |
| N1C | C13 | H25 | 108.6° | 109.4° |
| C4C | C5C | C6C | 120.1° | 119.9° |
| C4C | C5C | H29 | 119.9° | 120.0° |
| C14 | C13 | H24 | 108.6° | 109.5° |
| C14 | C13 | H25 | 108.6° | 109.5° |
| C13 | C14 | H26 | 109.5° | 109.5° |
| C13 | C14 | H27 | 109.5° | 109.5° |
| C13 | C14 | H28 | 109.5° | 109.5° |
| C2C | C1C | C6C | 120.6° | 119.2° |
| C1C | C2C | C2P | 119.7° | 109.3° |
| C1C | C2C | H53 | 90.1° | 109.2° |
| C1C | C6C | C5C | 120.9° | 120.4° |
| C1C | C6C | H30 | 119.5° | 119.8° |
| C2C | C2P | C3P | 119.8° | 120.1° |
| C2C | C2P | C1P | 121.1° | 120.1° |
| C2P | C2C | H53 | 90.1° | 109.3° |
| C6C | C5C | H29 | 119.9° | 120.0° |
| C5C | C6C | H30 | 119.6° | 119.8° |
| C2 | O1 | C7P | 123.6° | 117.0° |
| O1 | C2 | C3 | 111.0° | 109.4° |
| O1 | C2 | H31 | 109.1° | 109.5° |
| O1 | C2 | H32 | 109.1° | 109.5° |
| O1 | C7P | O7P | 117.9° | 120.0° |
| O1 | C7P | C1P | 123.2° | 120.0° |
| C3P | C2P | C1P | 119.1° | 119.8° |
| C2P | C3P | C4P | 120.8° | 120.2° |
| C2P | C3P | H4 | 119.6° | 119.9° |
| C2P | C1P | C7P | 120.3° | 120.1° |
| C2P | C1P | C6P | 119.9° | 119.7° |
| C2 | C3 | O4 | 109.2° | 109.5° |
| C3 | C2 | H31 | 109.1° | 109.5° |
| C3 | C2 | H32 | 109.1° | 109.5° |
| C2 | C3 | H33 | 109.5° | 109.5° |
| C2 | C3 | H34 | 109.5° | 109.5° |
| O7P | C7P | C1P | 118.9° | 120.0° |
| C7P | C1P | C6P | 119.7° | 120.2° |
| C3P | C4P | C5P | 120.0° | 120.3° |
| C3P | C4P | H3 | 120.0° | 119.9° |
| C4P | C3P | H4 | 119.6° | 119.9° |
| C3 | O4 | C5 | 112.4° | 114.0° |
| O4 | C3 | H33 | 109.5° | 109.5° |
| O4 | C3 | H34 | 109.5° | 109.5° |
| C1P | C6P | C5P | 120.6° | 119.9° |
| C1P | C6P | H1 | 119.7° | 120.1° |
| N1T | N2T | N3T | 105.0° | 110.2° |
| N2T | N1T | C5T | 107.9° | 108.9° |
| N2T | N3T | C6 | 114.2° | 125.9° |
| N2T | N3T | C4T | 111.6° | 108.3° |
| C4P | C5P | C6P | 119.7° | 120.1° |
| C4P | C5P | H2 | 120.2° | 119.9° |
| C5P | C4P | H3 | 120.0° | 119.8° |
| N3T | C6 | C5 | 110.4° | 109.5° |
| C6 | N3T | C4T | 134.2° | 125.9° |
| N3T | C6 | H37 | 109.2° | 109.5° |
| N3T | C6 | H38 | 109.2° | 109.5° |
| C6 | C5 | O4 | 108.9° | 109.5° |
| C6 | C5 | H35 | 109.6° | 109.5° |
| C6 | C5 | H36 | 109.6° | 109.5° |
| C5 | C6 | H37 | 109.2° | 109.4° |
| C5 | C6 | H38 | 109.2° | 109.5° |
| N1T | C5T | C4T | 109.7° | 106.5° |
| N1T | C5T | C1 | 123.6° | 126.7° |
| C5P | C6P | H1 | 119.7° | 120.0° |
| C6P | C5P | H2 | 120.2° | 120.0° |
| N3T | C4T | C5T | 105.8° | 106.2° |
| N3T | C4T | H39 | 127.1° | 126.9° |
| O4 | C5 | H35 | 109.6° | 109.4° |
| O4 | C5 | H36 | 109.6° | 109.5° |
| C4T | C5T | C1 | 126.6° | 126.8° |
| C5T | C4T | H39 | 127.1° | 126.9° |
| C5T | C1 | O1F | 104.7° | 109.4° |
| C5T | C1 | H40 | 110.7° | 109.5° |
| C5T | C1 | H41 | 110.6° | 109.5° |
| C1 | O1F | C1F | 112.7° | 114.0° |
| O1F | C1 | H40 | 110.6° | 109.5° |
| O1F | C1 | H41 | 110.7° | 109.5° |
| O2F | C2F | C1F | 111.3° | 109.6° |
| O2F | C2F | C3F | 110.0° | 109.5° |
| O2F | C2F | H43 | 109.4° | 109.5° |
| C2F | O2F | H44 | 109.5° | 114.0° |
| O1F | C1F | C2F | 109.0° | 109.4° |
| O1F | C1F | O5F | 109.4° | 109.5° |
| O1F | C1F | H42 | 109.5° | 109.4° |
| C2F | C1F | O5F | 111.5° | 109.5° |
| C1F | C2F | C3F | 109.6° | 109.2° |
| C2F | C1F | H42 | 108.1° | 109.5° |
| C1F | C2F | H43 | 108.3° | 109.5° |
| C1F | O5F | C5F | 114.7° | 114.1° |
| O5F | C1F | H42 | 109.3° | 109.5° |
| C2F | C3F | O3F | 109.8° | 109.6° |
| C2F | C3F | C4F | 109.9° | 109.0° |
| C3F | C2F | H43 | 108.1° | 109.5° |
| C2F | C3F | H45 | 108.5° | 109.5° |
| O5F | C5F | C4F | 109.8° | 109.5° |
| O5F | C5F | C6F | 109.2° | 109.5° |
| O5F | C5F | H49 | 109.7° | 109.5° |
| O3F | C3F | C4F | 110.1° | 109.5° |
| O3F | C3F | H45 | 109.9° | 109.6° |
| C3F | O3F | H46 | 109.5° | 113.9° |
| C3F | C4F | C5F | 109.7° | 109.2° |
| C3F | C4F | O4F | 111.3° | 109.5° |
| C4F | C3F | H45 | 108.5° | 109.6° |
| C3F | C4F | H47 | 108.5° | 109.6° |
| C4F | C5F | C6F | 111.2° | 109.5° |
| C5F | C4F | O4F | 109.0° | 109.5° |
| C5F | C4F | H47 | 108.6° | 109.6° |
| C4F | C5F | H49 | 108.5° | 109.4° |
| C6F | C5F | H49 | 108.4° | 109.5° |
| C5F | C6F | H50 | 109.5° | 109.5° |
| C5F | C6F | H51 | 109.5° | 109.5° |
| C5F | C6F | H52 | 109.5° | 109.5° |
| O4F | C4F | H47 | 109.7° | 109.5° |
| C4F | O4F | H48 | 109.5° | 114.1° |
| H7 | C21 | H8 | 109.5° | 109.4° |
| H9 | C22 | H10 | 109.4° | 109.5° |
| H9 | C22 | H11 | 109.4° | 109.4° |
| H10 | C22 | H11 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.4° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.4° |
| H14 | C12 | H16 | 109.5° | 109.4° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| H19 | C23 | H20 | 109.5° | 109.4° |
| H21 | C24 | H22 | 109.4° | 109.5° |
| H21 | C24 | H23 | 109.4° | 109.4° |
| H22 | C24 | H23 | 109.5° | 109.5° |
| H24 | C13 | H25 | 109.5° | 109.5° |
| H26 | C14 | H27 | 109.4° | 109.5° |
| H26 | C14 | H28 | 109.5° | 109.5° |
| H27 | C14 | H28 | 109.5° | 109.5° |
| H31 | C2 | H32 | 109.5° | 109.5° |
| H33 | C3 | H34 | 109.5° | 109.5° |
| H35 | C5 | H36 | 109.4° | 109.5° |
| H37 | C6 | H38 | 109.5° | 109.4° |
| H40 | C1 | H41 | 109.5° | 109.5° |
| H50 | C6F | H51 | 109.5° | 109.4° |
| H50 | C6F | H52 | 109.5° | 109.5° |
| H51 | C6F | H52 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C21 | N1A | H7 | 120.3° | 120.1° |
| C22 | C21 | N1A | H8 | 120.3° | 119.9° |
| C22 | C21 | N1A | C11 | 44.6° | 90.1° |
| C22 | C21 | N1A | C5A | 136.5° | 90.0° |
| C22 | C21 | H7 | H8 | 119.1° | 119.9° |
| C21 | C22 | H9 | H10 | 120.0° | 120.1° |
| C21 | C22 | H9 | H11 | 120.0° | 119.9° |
| C21 | C22 | H10 | H11 | 120.0° | 120.0° |
| C21 | N1A | C11 | C12 | 76.4° | 90.0° |
| C21 | N1A | C11 | C5A | 178.9° | 180.0° |
| C21 | N1A | C5A | C6A | 57.7° | 180.0° |
| C21 | N1A | C5A | C4A | 121.8° | 0.0° |
| N1A | C21 | H7 | H8 | 119.1° | 120.0° |
| N1A | C21 | C22 | H9 | 180.0° | 180.0° |
| N1A | C21 | C22 | H10 | 60.0° | 59.9° |
| N1A | C21 | C22 | H11 | 60.0° | 60.1° |
| C21 | N1A | C11 | H12 | 163.4° | 30.0° |
| C21 | N1A | C11 | H13 | 43.7° | 150.0° |
| C12 | C11 | N1A | H12 | 120.1° | 120.0° |
| C12 | C11 | N1A | H13 | 120.1° | 120.0° |
| C12 | C11 | N1A | C5A | 102.5° | 90.0° |
| C12 | C11 | H12 | H13 | 119.6° | 120.0° |
| C11 | C12 | H14 | H15 | 120.0° | 120.0° |
| C11 | C12 | H14 | H16 | 120.0° | 120.0° |
| C11 | C12 | H15 | H16 | 120.0° | 120.0° |
| C11 | N1A | C5A | C6A | 123.4° | 0.0° |
| C11 | N1A | C5A | C4A | 57.1° | 180.0° |
| C11 | N1A | C21 | H7 | 164.9° | 30.0° |
| C11 | N1A | C21 | H8 | 75.7° | 150.0° |
| N1A | C11 | H12 | H13 | 119.6° | 119.9° |
| N1A | C11 | C12 | H14 | 180.0° | 60.0° |
| N1A | C11 | C12 | H15 | 60.0° | 60.0° |
| N1A | C11 | C12 | H16 | 60.0° | 180.0° |
| N1A | C5A | C6A | C4A | 179.5° | 180.0° |
| N1A | C5A | C6A | C1A | 179.6° | 180.0° |
| N1A | C5A | C4A | C3A | 179.7° | 180.0° |
| N1A | C5A | C4A | H6 | 0.2° | 0.0° |
| C5A | N1A | C21 | H7 | 16.2° | 150.0° |
| C5A | N1A | C21 | H8 | 103.2° | 30.0° |
| C5A | N1A | C11 | H12 | 17.7° | 150.0° |
| C5A | N1A | C11 | H13 | 137.4° | 30.0° |
| N1A | C5A | C6A | H17 | 0.4° | 0.0° |
| C5A | C6A | C1A | H17 | 180.0° | 180.0° |
| C5A | C6A | C1A | O1B | 180.0° | 180.0° |
| C5A | C6A | C1A | C2A | 0.0° | 0.0° |
| C6A | C5A | C4A | C3A | 0.2° | 0.0° |
| C6A | C5A | C4A | H6 | 179.7° | 180.0° |
| C1A | C6A | C5A | C4A | 0.1° | 0.0° |
| C6A | C1A | O1B | C2A | 180.0° | 180.0° |
| C6A | C1A | O1B | C4B | 179.9° | 159.8° |
| C6A | C1A | C2A | C3A | 0.0° | 0.0° |
| C6A | C1A | C2A | C2C | 179.9° | 179.9° |
| C5A | C4A | C3A | H6 | 180.0° | 180.0° |
| C5A | C4A | C3A | C2A | 0.3° | 0.1° |
| C5A | C4A | C3A | H5 | 179.7° | 179.9° |
| C4A | C5A | C6A | H17 | 179.9° | 180.0° |
| C1A | O1B | C4B | C3C | 179.9° | 159.8° |
| C1A | O1B | C4B | C1C | 0.2° | 20.3° |
| O1B | C1A | C2A | C3A | 180.0° | 179.9° |
| O1B | C1A | C2A | C2C | 0.1° | 0.1° |
| O1B | C1A | C6A | H17 | 0.0° | 0.0° |
| C4B | O1B | C1A | C2A | 0.1° | 20.2° |
| O1B | C4B | C3C | C1C | 179.7° | 179.9° |
| O1B | C4B | C3C | C4C | 179.8° | 179.8° |
| O1B | C4B | C1C | C2C | 0.3° | 0.1° |
| O1B | C4B | C1C | C6C | 179.9° | 179.9° |
| O1B | C4B | C3C | H18 | 0.2° | 0.1° |
| C1A | C2A | C3A | C4A | 0.2° | 0.1° |
| C1A | C2A | C3A | C2C | 179.9° | 180.0° |
| C1A | C2A | C2C | C1C | 0.2° | 17.7° |
| C1A | C2A | C2C | C2P | 180.0° | 102.6° |
| C1A | C2A | C3A | H5 | 179.8° | 179.9° |
| C2A | C1A | C6A | H17 | 180.0° | 180.0° |
| C1A | C2A | C2C | H53 | 89.9° | 137.9° |
| C4A | C3A | C2A | H5 | 180.0° | 180.0° |
| C4A | C3A | C2A | C2C | 179.7° | 179.9° |
| C4B | C3C | C4C | H18 | 180.0° | 179.9° |
| C4B | C3C | C4C | N1C | 179.9° | 180.0° |
| C4B | C3C | C4C | C5C | 0.5° | 0.0° |
| C3C | C4B | C1C | C2C | 180.0° | 180.0° |
| C3C | C4B | C1C | C6C | 0.4° | 0.0° |
| C4C | C3C | C4B | C1C | 0.4° | 0.0° |
| C3C | C4C | N1C | C23 | 81.7° | 0.0° |
| C3C | C4C | N1C | C5C | 179.7° | 180.0° |
| C3C | C4C | N1C | C13 | 100.6° | 180.0° |
| C3C | C4C | C5C | C6C | 0.5° | 0.0° |
| C3C | C4C | C5C | H29 | 179.5° | 180.0° |
| C4B | C1C | C2C | C2A | 0.3° | 17.6° |
| C4B | C1C | C2C | C6C | 179.6° | 179.9° |
| C4B | C1C | C2C | C2P | 179.9° | 102.6° |
| C4B | C1C | C6C | C5C | 0.4° | 0.0° |
| C1C | C4B | C3C | H18 | 179.6° | 180.0° |
| C4B | C1C | C6C | H30 | 179.6° | 179.9° |
| C4B | C1C | C2C | H53 | 89.8° | 137.9° |
| N1C | C23 | C24 | H19 | 120.0° | 120.0° |
| N1C | C23 | C24 | H20 | 120.1° | 120.0° |
| C23 | N1C | C4C | C13 | 177.7° | 179.9° |
| C23 | N1C | C4C | C5C | 97.9° | 179.9° |
| C23 | N1C | C13 | C14 | 142.3° | 90.0° |
| N1C | C23 | H19 | H20 | 119.9° | 119.9° |
| N1C | C23 | C24 | H21 | 180.0° | 180.0° |
| N1C | C23 | C24 | H22 | 60.0° | 60.0° |
| N1C | C23 | C24 | H23 | 60.0° | 60.0° |
| C23 | N1C | C13 | H24 | 97.1° | 30.0° |
| C23 | N1C | C13 | H25 | 21.8° | 150.0° |
| C24 | C23 | N1C | C4C | 94.5° | 89.9° |
| C24 | C23 | N1C | C13 | 83.2° | 90.0° |
| C24 | C23 | H19 | H20 | 119.9° | 120.0° |
| C23 | C24 | H21 | H22 | 120.0° | 120.1° |
| C23 | C24 | H21 | H23 | 120.0° | 120.0° |
| C23 | C24 | H22 | H23 | 120.0° | 120.0° |
| C3A | C2A | C2C | C1C | 179.8° | 162.3° |
| C3A | C2A | C2C | C2P | 0.1° | 77.4° |
| C2A | C3A | C4A | H6 | 179.7° | 179.9° |
| C3A | C2A | C2C | H53 | 90.1° | 42.1° |
| C2A | C2C | C1C | C2P | 179.8° | 120.3° |
| C2A | C2C | C1C | H53 | 90.1° | 120.2° |
| C2A | C2C | C1C | C6C | 179.9° | 162.4° |
| C2A | C2C | C2P | H53 | 90.1° | 119.5° |
| C2A | C2C | C2P | C3P | 107.7° | 55.6° |
| C2A | C2C | C2P | C1P | 72.1° | 124.9° |
| C2C | C2A | C3A | H5 | 0.3° | 0.1° |
| C4C | N1C | C13 | C14 | 40.0° | 90.0° |
| N1C | C4C | C5C | C6C | 179.8° | 180.0° |
| N1C | C4C | C3C | H18 | 0.1° | 0.1° |
| C4C | N1C | C23 | H19 | 25.5° | 150.0° |
| C4C | N1C | C23 | H20 | 145.4° | 30.1° |
| C4C | N1C | C13 | H24 | 80.6° | 150.0° |
| C4C | N1C | C13 | H25 | 160.5° | 30.0° |
| N1C | C4C | C5C | H29 | 0.2° | 0.1° |
| C13 | N1C | C4C | C5C | 79.8° | 0.0° |
| N1C | C13 | C14 | H24 | 120.5° | 120.0° |
| N1C | C13 | C14 | H25 | 120.5° | 120.0° |
| C13 | N1C | C23 | H19 | 156.8° | 30.1° |
| C13 | N1C | C23 | H20 | 36.9° | 150.0° |
| N1C | C13 | H24 | H25 | 118.4° | 119.9° |
| N1C | C13 | C14 | H26 | 180.0° | 180.0° |
| N1C | C13 | C14 | H27 | 60.0° | 60.0° |
| N1C | C13 | C14 | H28 | 60.0° | 60.0° |
| C4C | C5C | C6C | C1C | 0.5° | 0.1° |
| C4C | C5C | C6C | H29 | 180.0° | 180.0° |
| C5C | C4C | C3C | H18 | 179.5° | 180.0° |
| C4C | C5C | C6C | H30 | 179.5° | 180.0° |
| C14 | C13 | H24 | H25 | 118.4° | 120.0° |
| C13 | C14 | H26 | H27 | 120.0° | 120.0° |
| C13 | C14 | H26 | H28 | 120.0° | 120.0° |
| C13 | C14 | H27 | H28 | 120.0° | 120.0° |
| C1C | C2C | C2P | H53 | 90.1° | 119.4° |
| C2C | C1C | C6C | C5C | 180.0° | 179.9° |
| C1C | C2C | C2P | C3P | 72.1° | 65.5° |
| C1C | C2C | C2P | C1P | 108.1° | 114.0° |
| C2C | C1C | C6C | H30 | 0.0° | 0.0° |
| C6C | C1C | C2C | C2P | 0.3° | 77.3° |
| C1C | C6C | C5C | H30 | 180.0° | 179.9° |
| C1C | C6C | C5C | H29 | 179.5° | 179.9° |
| C6C | C1C | C2C | H53 | 89.8° | 42.2° |
| C2C | C2P | C3P | C1P | 179.8° | 179.5° |
| C2C | C2P | C1P | C7P | 0.5° | 0.2° |
| C2C | C2P | C3P | C4P | 179.5° | 180.0° |
| C2C | C2P | C1P | C6P | 179.3° | 180.0° |
| C2C | C2P | C3P | H4 | 0.4° | 0.2° |
| O1 | C2 | C3 | H31 | 120.2° | 120.0° |
| O1 | C2 | C3 | H32 | 120.2° | 120.0° |
| C2 | O1 | C7P | O7P | 159.0° | 0.0° |
| C2 | O1 | C7P | C1P | 21.9° | 179.7° |
| O1 | C2 | C3 | O4 | 90.1° | 65.0° |
| O1 | C2 | H31 | H32 | 119.3° | 120.0° |
| O1 | C2 | C3 | H33 | 29.9° | 175.0° |
| O1 | C2 | C3 | H34 | 149.9° | 55.0° |
| O1 | C7P | C1P | C2P | 107.5° | 138.9° |
| C7P | O1 | C2 | C3 | 135.3° | 180.0° |
| O1 | C7P | O7P | C1P | 179.1° | 179.8° |
| O1 | C7P | C1P | C6P | 73.7° | 40.9° |
| C7P | O1 | C2 | H31 | 104.5° | 60.0° |
| C7P | O1 | C2 | H32 | 15.0° | 60.1° |
| C3P | C2P | C1P | C7P | 179.7° | 179.7° |
| C2P | C3P | C4P | H4 | 180.0° | 179.8° |
| C3P | C2P | C1P | C6P | 0.9° | 0.5° |
| C2P | C3P | C4P | C5P | 0.3° | 0.2° |
| C2P | C3P | C4P | H3 | 179.7° | 179.8° |
| C3P | C2P | C2C | H53 | 162.2° | 175.0° |
| C2P | C1P | C7P | O7P | 71.6° | 41.4° |
| C2P | C1P | C7P | C6P | 178.8° | 179.8° |
| C1P | C2P | C3P | C4P | 0.7° | 0.5° |
| C2P | C1P | C6P | C5P | 0.8° | 0.2° |
| C2P | C1P | C6P | H1 | 179.2° | 179.8° |
| C1P | C2P | C3P | H4 | 179.4° | 179.7° |
| C1P | C2P | C2C | H53 | 18.0° | 5.5° |
| C2 | C3 | O4 | H33 | 120.0° | 120.0° |
| C2 | C3 | O4 | H34 | 120.0° | 120.0° |
| C2 | C3 | O4 | C5 | 145.9° | 180.0° |
| C3 | C2 | H31 | H32 | 119.3° | 120.0° |
| C2 | C3 | H33 | H34 | 120.1° | 120.0° |
| O7P | C7P | C1P | C6P | 107.2° | 138.8° |
| C7P | C1P | C6P | C5P | 179.7° | 180.0° |
| C7P | C1P | C6P | H1 | 0.3° | 0.0° |
| C3P | C4P | C5P | H3 | 180.0° | 180.0° |
| C3P | C4P | C5P | C6P | 0.2° | 0.0° |
| C3P | C4P | C5P | H2 | 179.8° | 180.0° |
| C3 | O4 | C5 | C6 | 53.3° | 180.0° |
| O4 | C3 | C2 | H31 | 149.7° | 55.0° |
| O4 | C3 | C2 | H32 | 30.1° | 175.0° |
| O4 | C3 | H33 | H34 | 120.1° | 120.0° |
| C3 | O4 | C5 | H35 | 173.3° | 60.0° |
| C3 | O4 | C5 | H36 | 66.6° | 60.0° |
| C1P | C6P | C5P | C4P | 0.5° | 0.0° |
| C1P | C6P | C5P | H1 | 180.0° | 180.0° |
| C1P | C6P | C5P | H2 | 179.5° | 180.0° |
| N1T | N2T | N3T | C6 | 180.0° | 180.0° |
| N1T | N2T | N3T | C4T | 0.2° | 0.2° |
| N2T | N1T | C5T | C4T | 0.1° | 0.2° |
| N2T | N1T | C5T | C1 | 179.6° | 180.0° |
| N2T | N3T | C6 | C4T | 179.7° | 179.7° |
| N2T | N3T | C6 | C5 | 176.4° | 54.7° |
| N3T | N2T | N1T | C5T | 0.2° | 0.0° |
| N2T | N3T | C4T | C5T | 0.1° | 0.3° |
| N2T | N3T | C6 | H37 | 56.3° | 174.7° |
| N2T | N3T | C6 | H38 | 63.5° | 65.3° |
| N2T | N3T | C4T | H39 | 179.8° | 179.8° |
| C4P | C5P | C6P | H2 | 180.0° | 180.0° |
| C4P | C5P | C6P | H1 | 179.5° | 179.9° |
| C5P | C4P | C3P | H4 | 179.7° | 180.0° |
| N3T | C6 | C5 | H37 | 120.1° | 120.0° |
| N3T | C6 | C5 | H38 | 120.1° | 120.0° |
| N3T | C6 | C5 | O4 | 67.7° | 180.0° |
| C6 | N3T | C4T | C5T | 179.8° | 179.9° |
| N3T | C6 | C5 | H35 | 52.2° | 60.0° |
| N3T | C6 | C5 | H36 | 172.3° | 60.0° |
| N3T | C6 | H37 | H38 | 119.6° | 120.0° |
| C6 | N3T | C4T | H39 | 0.1° | 0.0° |
| C5 | C6 | N3T | C4T | 3.9° | 125.0° |
| C6 | C5 | O4 | H35 | 119.9° | 120.0° |
| C6 | C5 | O4 | H36 | 119.9° | 120.0° |
| C6 | C5 | H35 | H36 | 120.3° | 120.0° |
| C5 | C6 | H37 | H38 | 119.6° | 120.0° |
| N1T | C5T | C4T | N3T | 0.0° | 0.3° |
| N1T | C5T | C4T | C1 | 179.4° | 179.8° |
| N1T | C5T | C1 | O1F | 46.6° | 180.0° |
| N1T | C5T | C4T | H39 | 180.0° | 179.8° |
| N1T | C5T | C1 | H40 | 165.8° | 60.0° |
| N1T | C5T | C1 | H41 | 72.7° | 60.1° |
| C6P | C5P | C4P | H3 | 179.8° | 180.0° |
| N3T | C4T | C5T | H39 | 180.0° | 179.9° |
| N3T | C4T | C5T | C1 | 179.4° | 179.9° |
| C4T | N3T | C6 | H37 | 124.0° | 5.0° |
| C4T | N3T | C6 | H38 | 116.2° | 115.0° |
| C5 | O4 | C3 | H33 | 25.9° | 60.0° |
| C5 | O4 | C3 | H34 | 94.1° | 60.0° |
| O4 | C5 | H35 | H36 | 120.3° | 120.0° |
| O4 | C5 | C6 | H37 | 172.1° | 60.0° |
| O4 | C5 | C6 | H38 | 52.4° | 60.0° |
| C4T | C5T | C1 | O1F | 132.7° | 0.3° |
| C4T | C5T | C1 | H40 | 13.5° | 120.3° |
| C4T | C5T | C1 | H41 | 108.0° | 119.7° |
| C5T | C1 | O1F | H40 | 119.2° | 120.0° |
| C5T | C1 | O1F | H41 | 119.2° | 120.0° |
| C5T | C1 | O1F | C1F | 178.6° | 180.0° |
| C1 | C5T | C4T | H39 | 0.6° | 0.0° |
| C5T | C1 | H40 | H41 | 122.2° | 120.0° |
| C1 | O1F | C1F | C2F | 173.1° | 175.0° |
| C1 | O1F | C1F | O5F | 64.7° | 65.0° |
| O1F | C1 | H40 | H41 | 122.2° | 120.0° |
| C1 | O1F | C1F | H42 | 55.0° | 55.0° |
| O2F | C2F | C1F | O1F | 54.9° | 57.5° |
| O2F | C2F | C1F | C3F | 122.0° | 120.0° |
| O2F | C2F | C1F | H43 | 120.3° | 120.2° |
| O2F | C2F | C1F | O5F | 175.8° | 177.6° |
| O2F | C2F | C3F | H43 | 119.4° | 120.1° |
| O2F | C2F | C3F | O3F | 61.7° | 63.2° |
| O2F | C2F | C3F | C4F | 177.0° | 176.9° |
| O2F | C2F | C1F | H42 | 64.1° | 62.4° |
| O2F | C2F | C3F | H45 | 58.5° | 57.0° |
| O1F | C1F | C2F | O5F | 120.9° | 120.0° |
| O1F | C1F | C2F | H42 | 119.0° | 120.0° |
| O1F | C1F | O5F | H42 | 119.8° | 120.0° |
| O1F | C1F | C2F | C3F | 67.1° | 62.4° |
| O1F | C1F | O5F | C5F | 63.0° | 58.9° |
| C1F | O1F | C1 | H40 | 59.4° | 60.0° |
| C1F | O1F | C1 | H41 | 62.2° | 60.1° |
| O1F | C1F | C2F | H43 | 175.2° | 177.7° |
| C2F | C1F | O5F | H42 | 119.5° | 120.0° |
| C1F | C2F | C3F | H43 | 117.8° | 119.9° |
| C2F | C1F | O5F | C5F | 57.6° | 61.1° |
| C1F | C2F | C3F | O3F | 175.5° | 176.8° |
| C1F | C2F | C3F | C4F | 54.3° | 56.9° |
| C1F | C2F | O2F | H44 | 180.0° | 59.9° |
| C1F | C2F | C3F | H45 | 64.3° | 63.0° |
| O5F | C1F | C2F | C3F | 53.8° | 57.6° |
| C1F | O5F | C5F | C4F | 58.9° | 61.1° |
| C1F | O5F | C5F | C6F | 178.9° | 178.9° |
| O5F | C1F | C2F | H43 | 64.0° | 62.3° |
| C1F | O5F | C5F | H49 | 60.2° | 58.9° |
| C2F | C3F | O3F | C4F | 121.2° | 119.6° |
| C2F | C3F | O3F | H45 | 119.3° | 120.2° |
| C2F | C3F | C4F | H45 | 118.5° | 119.9° |
| C2F | C3F | C4F | C5F | 56.4° | 56.9° |
| C2F | C3F | C4F | O4F | 64.4° | 62.9° |
| C3F | C2F | C1F | H42 | 174.0° | 177.6° |
| C3F | C2F | O2F | H44 | 58.3° | 179.7° |
| C2F | C3F | O3F | H46 | 180.0° | 60.0° |
| C2F | C3F | C4F | H47 | 174.9° | 176.9° |
| O5F | C5F | C4F | C3F | 57.3° | 57.6° |
| O5F | C5F | C4F | C6F | 121.0° | 120.0° |
| O5F | C5F | C4F | H49 | 119.9° | 120.0° |
| O5F | C5F | C6F | H49 | 119.5° | 120.0° |
| O5F | C5F | C4F | O4F | 64.9° | 62.3° |
| C5F | O5F | C1F | H42 | 177.1° | 178.9° |
| O5F | C5F | C4F | H47 | 175.7° | 177.6° |
| O5F | C5F | C6F | H50 | 180.0° | 180.0° |
| O5F | C5F | C6F | H51 | 60.0° | 60.0° |
| O5F | C5F | C6F | H52 | 60.0° | 60.0° |
| O3F | C3F | C4F | H45 | 120.3° | 120.2° |
| O3F | C3F | C4F | C5F | 177.5° | 176.8° |
| O3F | C3F | C4F | O4F | 56.7° | 57.0° |
| O3F | C3F | C2F | H43 | 57.7° | 56.9° |
| O3F | C3F | C4F | H47 | 64.0° | 63.2° |
| C3F | C4F | C5F | O4F | 122.2° | 119.9° |
| C3F | C4F | C5F | H47 | 118.4° | 120.0° |
| C3F | C4F | C5F | C6F | 178.2° | 177.6° |
| C3F | C4F | O4F | H47 | 120.1° | 120.2° |
| C4F | C3F | C2F | H43 | 63.6° | 62.9° |
| C4F | C3F | O3F | H46 | 58.8° | 179.6° |
| C3F | C4F | O4F | H48 | 180.0° | 180.0° |
| C3F | C4F | C5F | H49 | 62.6° | 62.4° |
| C4F | C5F | C6F | H49 | 119.1° | 120.0° |
| C5F | C4F | O4F | H47 | 118.8° | 120.2° |
| C5F | C4F | C3F | H45 | 62.1° | 63.0° |
| C5F | C4F | O4F | H48 | 58.8° | 60.3° |
| C4F | C5F | C6F | H50 | 58.6° | 60.0° |
| C4F | C5F | C6F | H51 | 178.6° | 180.0° |
| C4F | C5F | C6F | H52 | 61.4° | 60.0° |
| C6F | C5F | C4F | O4F | 56.1° | 57.7° |
| C6F | C5F | C4F | H47 | 63.4° | 62.4° |
| C5F | C6F | H50 | H51 | 120.0° | 120.0° |
| C5F | C6F | H50 | H52 | 120.0° | 120.1° |
| C5F | C6F | H51 | H52 | 120.0° | 120.0° |
| O4F | C4F | C3F | H45 | 177.1° | 177.2° |
| O4F | C4F | C5F | H49 | 175.2° | 177.7° |
| H1 | C6P | C5P | H2 | 0.5° | 0.1° |
| H2 | C5P | C4P | H3 | 0.2° | 0.1° |
| H3 | C4P | C3P | H4 | 0.3° | 0.0° |
| H5 | C3A | C4A | H6 | 0.3° | 0.0° |
| H7 | C21 | C22 | H9 | 59.7° | 59.9° |
| H7 | C21 | C22 | H10 | 60.3° | 180.0° |
| H7 | C21 | C22 | H11 | 179.7° | 60.0° |
| H8 | C21 | C22 | H9 | 59.7° | 60.0° |
| H8 | C21 | C22 | H10 | 179.7° | 60.1° |
| H8 | C21 | C22 | H11 | 60.3° | 179.9° |
| H9 | C22 | H10 | H11 | 120.0° | 120.0° |
| H12 | C11 | C12 | H14 | 59.8° | 180.0° |
| H12 | C11 | C12 | H15 | 60.2° | 60.0° |
| H12 | C11 | C12 | H16 | 179.9° | 60.0° |
| H13 | C11 | C12 | H14 | 59.9° | 60.0° |
| H13 | C11 | C12 | H15 | 179.9° | 180.0° |
| H13 | C11 | C12 | H16 | 60.1° | 60.0° |
| H14 | C12 | H15 | H16 | 120.0° | 119.9° |
| H19 | C23 | C24 | H21 | 60.0° | 60.0° |
| H19 | C23 | C24 | H22 | 180.0° | 180.0° |
| H19 | C23 | C24 | H23 | 60.0° | 60.0° |
| H20 | C23 | C24 | H21 | 59.9° | 60.0° |
| H20 | C23 | C24 | H22 | 60.1° | 60.0° |
| H20 | C23 | C24 | H23 | 179.9° | 180.0° |
| H21 | C24 | H22 | H23 | 120.0° | 119.9° |
| H24 | C13 | C14 | H26 | 59.5° | 60.0° |
| H24 | C13 | C14 | H27 | 179.5° | 180.0° |
| H24 | C13 | C14 | H28 | 60.5° | 60.0° |
| H25 | C13 | C14 | H26 | 59.5° | 60.0° |
| H25 | C13 | C14 | H27 | 60.5° | 60.0° |
| H25 | C13 | C14 | H28 | 179.5° | 180.0° |
| H26 | C14 | H27 | H28 | 120.0° | 120.0° |
| H29 | C5C | C6C | H30 | 0.5° | 0.0° |
| H31 | C2 | C3 | H33 | 90.4° | 65.0° |
| H31 | C2 | C3 | H34 | 29.7° | 174.9° |
| H32 | C2 | C3 | H33 | 150.1° | 55.0° |
| H32 | C2 | C3 | H34 | 89.8° | 65.0° |
| H35 | C5 | C6 | H37 | 67.9° | 179.9° |
| H35 | C5 | C6 | H38 | 172.3° | 60.0° |
| H36 | C5 | C6 | H37 | 52.2° | 60.1° |
| H36 | C5 | C6 | H38 | 67.5° | 180.0° |
| H42 | C1F | C2F | H43 | 56.2° | 57.7° |
| H43 | C2F | O2F | H44 | 60.4° | 60.2° |
| H43 | C2F | C3F | H45 | 177.9° | 177.2° |
| H45 | C3F | O3F | H46 | 60.7° | 60.2° |
| H45 | C3F | C4F | H47 | 56.3° | 57.0° |
| H47 | C4F | O4F | H48 | 59.9° | 59.8° |
| H47 | C4F | C5F | H49 | 55.8° | 57.6° |
| H49 | C5F | C6F | H50 | 60.5° | 60.0° |
| H49 | C5F | C6F | H51 | 59.5° | 60.0° |
| H49 | C5F | C6F | H52 | 179.5° | 180.0° |
| H50 | C6F | H51 | H52 | 120.0° | 120.0° |
