P27
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C33 | sing | 1.51Å | 1.57Å | |
| C32 | C1 | sing | 1.53Å | 1.63Å | |
| C32 | H321 | sing | 1.09Å | 1.11Å | |
| C32 | H322 | sing | 1.09Å | 1.11Å | |
| C33 | C4A | doub | 1.38Å | 1.41Å | Aromatic |
| C33 | C4B | sing | 1.38Å | 1.44Å | Aromatic |
| C4A | C5A | sing | 1.38Å | 1.40Å | Aromatic |
| C4A | H4A | sing | 1.08Å | 1.10Å | |
| C4B | C5B | doub | 1.38Å | 1.42Å | Aromatic |
| C4B | H4B | sing | 1.08Å | 1.10Å | |
| C5A | C36 | doub | 1.38Å | 1.42Å | Aromatic |
| C5A | H5A | sing | 1.08Å | 1.10Å | |
| C5B | C36 | sing | 1.38Å | 1.42Å | Aromatic |
| C5B | H5B | sing | 1.08Å | 1.10Å | |
| C36 | C37 | sing | 1.51Å | 1.50Å | |
| C37 | F38 | sing | 1.40Å | 1.33Å | |
| C37 | F39 | sing | 1.40Å | 1.34Å | |
| C37 | P40 | sing | 1.82Å | 1.64Å | |
| P40 | O41 | sing | 1.61Å | 1.56Å | |
| P40 | O42 | sing | 1.61Å | 1.51Å | |
| P40 | O43 | doub | 1.48Å | 1.52Å | |
| O41 | H41 | sing | 0.97Å | 0.95Å | |
| O42 | H42 | sing | 0.97Å | 0.95Å | |
| C1 | C12 | sing | 1.53Å | 1.60Å | |
| C1 | C51 | sing | 1.51Å | 1.60Å | |
| C1 | N61 | sing | 1.46Å | 1.52Å | |
| C12 | C13 | sing | 1.51Å | 1.55Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C13 | C1A | doub | 1.38Å | 1.43Å | Aromatic |
| C13 | C1B | sing | 1.38Å | 1.43Å | Aromatic |
| C1A | C2A | sing | 1.38Å | 1.41Å | Aromatic |
| C1A | H1A | sing | 1.08Å | 1.10Å | |
| C1B | C2B | doub | 1.38Å | 1.44Å | Aromatic |
| C1B | H1B | sing | 1.08Å | 1.10Å | |
| C2A | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C2A | H2A | sing | 1.08Å | 1.10Å | |
| C2B | C16 | sing | 1.38Å | 1.45Å | Aromatic |
| C2B | H2B | sing | 1.08Å | 1.10Å | |
| C16 | C17 | sing | 1.51Å | 1.54Å | |
| C17 | F18 | sing | 1.40Å | 1.34Å | |
| C17 | F19 | sing | 1.40Å | 1.31Å | |
| C17 | P20 | sing | 1.82Å | 1.62Å | |
| P20 | O21 | sing | 1.61Å | 1.54Å | |
| P20 | O22 | sing | 1.61Å | 1.52Å | |
| P20 | O23 | doub | 1.48Å | 1.50Å | |
| O21 | H21 | sing | 0.97Å | 0.95Å | |
| O22 | H22 | sing | 0.97Å | 0.95Å | |
| C51 | C6A | doub | 1.38Å | 1.42Å | Aromatic |
| C51 | C6B | sing | 1.38Å | 1.42Å | Aromatic |
| C6A | C53 | sing | 1.38Å | 1.41Å | Aromatic |
| C6A | H6A | sing | 1.08Å | 1.10Å | |
| C6B | C54 | doub | 1.38Å | 1.43Å | Aromatic |
| C6B | H6B | sing | 1.08Å | 1.10Å | |
| C55 | C53 | doub | 1.39Å | 1.41Å | Aromatic |
| C55 | C54 | sing | 1.38Å | 1.40Å | Aromatic |
| C55 | F57 | sing | 1.35Å | 1.33Å | |
| C53 | F56 | sing | 1.35Å | 1.33Å | |
| C54 | H54 | sing | 1.08Å | 1.10Å | |
| N61 | N62 | sing | 1.40Å | 1.38Å | Aromatic |
| N61 | C7B | sing | 1.38Å | 1.47Å | Aromatic |
| N62 | N63 | doub | 1.29Å | 1.32Å | Aromatic |
| N63 | C7A | sing | 1.35Å | 1.36Å | Aromatic |
| C7A | C7B | doub | 1.41Å | 1.46Å | Aromatic |
| C7A | C8A | sing | 1.40Å | 1.37Å | Aromatic |
| C7B | C8B | sing | 1.39Å | 1.41Å | Aromatic |
| C8A | C9A | doub | 1.36Å | 1.41Å | Aromatic |
| C8A | H8A | sing | 1.08Å | 1.10Å | |
| C8B | C9B | doub | 1.38Å | 1.41Å | Aromatic |
| C8B | H8B | sing | 1.08Å | 1.10Å | |
| C9A | C9B | sing | 1.39Å | 1.42Å | Aromatic |
| C9A | H9A | sing | 1.08Å | 1.10Å | |
| C9B | H9B | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C33 | C32 | C1 | 113.8° | 109.5° |
| C33 | C32 | H321 | 110.6° | 109.4° |
| C33 | C32 | H322 | 110.6° | 109.4° |
| C32 | C33 | C4A | 119.9° | 120.0° |
| C32 | C33 | C4B | 122.7° | 120.0° |
| C1 | C32 | H321 | 110.6° | 109.5° |
| C1 | C32 | H322 | 110.6° | 109.5° |
| C32 | C1 | C12 | 113.6° | 109.4° |
| C32 | C1 | C51 | 110.2° | 109.5° |
| C32 | C1 | N61 | 101.9° | 109.5° |
| H321 | C32 | H322 | 99.7° | 109.5° |
| C4A | C33 | C4B | 117.3° | 120.0° |
| C33 | C4A | C5A | 122.4° | 120.0° |
| C33 | C4A | H4A | 119.0° | 120.0° |
| C33 | C4B | C5B | 120.9° | 120.0° |
| C33 | C4B | H4B | 120.0° | 120.0° |
| C5A | C4A | H4A | 118.7° | 120.0° |
| C4A | C5A | C36 | 120.5° | 120.0° |
| C4A | C5A | H5A | 119.0° | 120.0° |
| C5B | C4B | H4B | 119.1° | 120.1° |
| C4B | C5B | C36 | 120.3° | 120.0° |
| C4B | C5B | H5B | 120.2° | 120.0° |
| C36 | C5A | H5A | 120.4° | 119.9° |
| C5A | C36 | C5B | 118.7° | 120.0° |
| C5A | C36 | C37 | 119.6° | 120.0° |
| C36 | C5B | H5B | 119.6° | 120.0° |
| C5B | C36 | C37 | 121.7° | 120.0° |
| C36 | C37 | F38 | 108.7° | 109.5° |
| C36 | C37 | F39 | 106.4° | 109.5° |
| C36 | C37 | P40 | 119.0° | 109.5° |
| F38 | C37 | F39 | 106.2° | 109.5° |
| F38 | C37 | P40 | 108.8° | 109.5° |
| F39 | C37 | P40 | 107.0° | 109.5° |
| C37 | P40 | O41 | 110.8° | 109.4° |
| C37 | P40 | O42 | 110.9° | 109.5° |
| C37 | P40 | O43 | 106.5° | 109.5° |
| O41 | P40 | O42 | 108.2° | 109.4° |
| O41 | P40 | O43 | 108.4° | 109.5° |
| P40 | O41 | H41 | 110.8° | 106.7° |
| O42 | P40 | O43 | 112.1° | 109.5° |
| P40 | O42 | H42 | 110.9° | 106.8° |
| C12 | C1 | C51 | 106.8° | 109.5° |
| C12 | C1 | N61 | 112.2° | 109.4° |
| C1 | C12 | C13 | 113.3° | 109.5° |
| C1 | C12 | H121 | 110.8° | 109.5° |
| C1 | C12 | H122 | 110.8° | 109.5° |
| C51 | C1 | N61 | 112.3° | 109.5° |
| C1 | C51 | C6A | 121.5° | 120.0° |
| C1 | C51 | C6B | 120.4° | 120.0° |
| C1 | N61 | N62 | 132.2° | 126.7° |
| C1 | N61 | C7B | 114.6° | 126.8° |
| C13 | C12 | H121 | 110.8° | 109.5° |
| C13 | C12 | H122 | 110.8° | 109.5° |
| C12 | C13 | C1A | 118.6° | 120.0° |
| C12 | C13 | C1B | 124.1° | 120.0° |
| H121 | C12 | H122 | 99.5° | 109.5° |
| C1A | C13 | C1B | 117.2° | 120.0° |
| C13 | C1A | C2A | 122.7° | 120.0° |
| C13 | C1A | H1A | 119.4° | 120.0° |
| C13 | C1B | C2B | 120.4° | 120.0° |
| C13 | C1B | H1B | 119.5° | 120.0° |
| C2A | C1A | H1A | 118.0° | 120.0° |
| C1A | C2A | C16 | 120.8° | 120.0° |
| C1A | C2A | H2A | 120.1° | 120.0° |
| C2B | C1B | H1B | 120.2° | 120.0° |
| C1B | C2B | C16 | 120.4° | 120.0° |
| C1B | C2B | H2B | 119.6° | 120.0° |
| C16 | C2A | H2A | 119.1° | 120.0° |
| C2A | C16 | C2B | 118.7° | 120.0° |
| C2A | C16 | C17 | 119.9° | 120.0° |
| C16 | C2B | H2B | 120.0° | 120.0° |
| C2B | C16 | C17 | 121.4° | 120.0° |
| C16 | C17 | F18 | 110.3° | 109.5° |
| C16 | C17 | F19 | 109.0° | 109.4° |
| C16 | C17 | P20 | 114.2° | 109.5° |
| F18 | C17 | F19 | 105.8° | 109.4° |
| F18 | C17 | P20 | 107.7° | 109.5° |
| F19 | C17 | P20 | 109.5° | 109.4° |
| C17 | P20 | O21 | 110.8° | 109.5° |
| C17 | P20 | O22 | 108.5° | 109.4° |
| C17 | P20 | O23 | 109.0° | 109.5° |
| O21 | P20 | O22 | 108.2° | 109.5° |
| O21 | P20 | O23 | 109.6° | 109.5° |
| P20 | O21 | H21 | 110.8° | 106.8° |
| O22 | P20 | O23 | 110.7° | 109.4° |
| P20 | O22 | H22 | 108.5° | 106.8° |
| C6A | C51 | C6B | 118.0° | 120.0° |
| C51 | C6A | C53 | 120.5° | 120.0° |
| C51 | C6A | H6A | 120.1° | 120.0° |
| C51 | C6B | C54 | 121.8° | 120.1° |
| C51 | C6B | H6B | 119.0° | 119.9° |
| C53 | C6A | H6A | 119.4° | 120.0° |
| C6A | C53 | C55 | 120.4° | 119.9° |
| C6A | C53 | F56 | 119.4° | 120.0° |
| C54 | C6B | H6B | 119.3° | 120.0° |
| C6B | C54 | C55 | 118.6° | 120.0° |
| C6B | C54 | H54 | 121.8° | 120.0° |
| C53 | C55 | C54 | 120.6° | 119.9° |
| C53 | C55 | F57 | 120.9° | 120.0° |
| C55 | C53 | F56 | 120.2° | 120.0° |
| C54 | C55 | F57 | 118.4° | 120.1° |
| C55 | C54 | H54 | 119.6° | 120.0° |
| N62 | N61 | C7B | 113.2° | 106.5° |
| N61 | N62 | N63 | 101.3° | 109.5° |
| N61 | C7B | C7A | 101.9° | 106.1° |
| N61 | C7B | C8B | 139.6° | 133.9° |
| N62 | N63 | C7A | 119.8° | 110.3° |
| N63 | C7A | C7B | 103.9° | 107.7° |
| N63 | C7A | C8A | 135.0° | 133.1° |
| C7B | C7A | C8A | 121.1° | 119.2° |
| C7A | C7B | C8B | 118.5° | 119.9° |
| C7A | C8A | C9A | 119.8° | 120.0° |
| C7A | C8A | H8A | 118.9° | 120.0° |
| C7B | C8B | C9B | 119.9° | 119.7° |
| C7B | C8B | H8B | 120.2° | 120.2° |
| C9A | C8A | H8A | 121.3° | 120.0° |
| C8A | C9A | C9B | 120.5° | 120.8° |
| C8A | C9A | H9A | 119.4° | 119.6° |
| C9B | C8B | H8B | 119.9° | 120.1° |
| C8B | C9B | C9A | 120.1° | 120.4° |
| C8B | C9B | H9B | 119.6° | 119.8° |
| C9B | C9A | H9A | 120.1° | 119.7° |
| C9A | C9B | H9B | 120.2° | 119.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C33 | C32 | C1 | H321 | 125.3° | 119.9° |
| C33 | C32 | C1 | H322 | 125.3° | 120.0° |
| C33 | C32 | H321 | H322 | 116.4° | 119.9° |
| C32 | C33 | C4A | C4B | 175.8° | 179.9° |
| C32 | C33 | C4A | C5A | 175.6° | 180.0° |
| C32 | C33 | C4A | H4A | 4.4° | 0.0° |
| C32 | C33 | C4B | C5B | 175.3° | 179.8° |
| C32 | C33 | C4B | H4B | 4.7° | 0.1° |
| C33 | C32 | C1 | C12 | 56.8° | 174.2° |
| C33 | C32 | C1 | C51 | 62.9° | 54.2° |
| C33 | C32 | C1 | N61 | 177.7° | 65.9° |
| C1 | C32 | H321 | H322 | 116.5° | 120.1° |
| C1 | C32 | C33 | C4A | 101.2° | 97.8° |
| C1 | C32 | C33 | C4B | 83.3° | 82.1° |
| C32 | C1 | C12 | C51 | 121.7° | 120.1° |
| C32 | C1 | C12 | N61 | 114.9° | 120.0° |
| C32 | C1 | C51 | N61 | 112.8° | 120.0° |
| C32 | C1 | C12 | C13 | 50.3° | 64.5° |
| C32 | C1 | C12 | H121 | 75.0° | 175.4° |
| C32 | C1 | C12 | H122 | 175.5° | 55.5° |
| C32 | C1 | C51 | C6A | 62.4° | 66.4° |
| C32 | C1 | C51 | C6B | 117.8° | 113.3° |
| C32 | C1 | N61 | N62 | 16.0° | 3.6° |
| C32 | C1 | N61 | C7B | 163.7° | 176.7° |
| H321 | C32 | C33 | C4A | 133.6° | 142.3° |
| H321 | C32 | C33 | C4B | 42.0° | 37.8° |
| H321 | C32 | C1 | C12 | 177.9° | 54.2° |
| H321 | C32 | C1 | C51 | 62.3° | 65.8° |
| H321 | C32 | C1 | N61 | 57.0° | 174.2° |
| H322 | C32 | C33 | C4A | 24.1° | 22.3° |
| H322 | C32 | C33 | C4B | 151.4° | 157.8° |
| H322 | C32 | C1 | C12 | 68.4° | 65.8° |
| H322 | C32 | C1 | C51 | 171.8° | 174.2° |
| H322 | C32 | C1 | N61 | 52.5° | 54.1° |
| C33 | C4A | C5A | H4A | 180.0° | 179.9° |
| C4A | C33 | C4B | C5B | 0.4° | 0.1° |
| C4A | C33 | C4B | H4B | 179.6° | 180.0° |
| C33 | C4A | C5A | C36 | 0.4° | 0.0° |
| C33 | C4A | C5A | H5A | 179.5° | 180.0° |
| C4B | C33 | C4A | C5A | 0.2° | 0.1° |
| C4B | C33 | C4A | H4A | 179.9° | 180.0° |
| C33 | C4B | C5B | H4B | 180.0° | 179.9° |
| C33 | C4B | C5B | C36 | 0.0° | 0.4° |
| C33 | C4B | C5B | H5B | 179.9° | 180.0° |
| C4A | C5A | C36 | H5A | 180.0° | 180.0° |
| C4A | C5A | C36 | C5B | 0.8° | 0.3° |
| C4A | C5A | C36 | C37 | 178.9° | 180.0° |
| H4A | C4A | C5A | C36 | 179.6° | 179.9° |
| H4A | C4A | C5A | H5A | 0.5° | 0.1° |
| C4B | C5B | C36 | C5A | 0.6° | 0.5° |
| C4B | C5B | C36 | H5B | 180.0° | 179.6° |
| C4B | C5B | C36 | C37 | 178.6° | 179.8° |
| H4B | C4B | C5B | C36 | 180.0° | 179.7° |
| H4B | C4B | C5B | H5B | 0.0° | 0.1° |
| C5A | C36 | C5B | C37 | 178.1° | 179.7° |
| C5A | C36 | C5B | H5B | 179.4° | 179.9° |
| C5A | C36 | C37 | F38 | 153.3° | 25.0° |
| C5A | C36 | C37 | F39 | 39.3° | 145.0° |
| C5A | C36 | C37 | P40 | 81.5° | 94.9° |
| H5A | C5A | C36 | C5B | 179.2° | 179.7° |
| H5A | C5A | C36 | C37 | 1.1° | 0.0° |
| C5B | C36 | C37 | F38 | 24.8° | 154.6° |
| C5B | C36 | C37 | F39 | 138.7° | 34.6° |
| C5B | C36 | C37 | P40 | 100.4° | 85.4° |
| H5B | C5B | C36 | C37 | 1.3° | 0.3° |
| C36 | C37 | F38 | F39 | 114.1° | 120.0° |
| C36 | C37 | F38 | P40 | 131.0° | 120.0° |
| C36 | C37 | F39 | P40 | 128.2° | 120.0° |
| C36 | C37 | P40 | O41 | 54.3° | 55.0° |
| C36 | C37 | P40 | O42 | 65.8° | 64.9° |
| C36 | C37 | P40 | O43 | 171.9° | 175.0° |
| F38 | C37 | F39 | P40 | 116.1° | 120.0° |
| F38 | C37 | P40 | O41 | 179.4° | 175.0° |
| F38 | C37 | P40 | O42 | 59.3° | 55.0° |
| F38 | C37 | P40 | O43 | 63.0° | 65.1° |
| F39 | C37 | P40 | O41 | 66.3° | 65.0° |
| F39 | C37 | P40 | O42 | 173.6° | 175.1° |
| F39 | C37 | P40 | O43 | 51.3° | 55.0° |
| C37 | P40 | O41 | O42 | 121.7° | 120.0° |
| C37 | P40 | O41 | O43 | 116.5° | 120.0° |
| C37 | P40 | O42 | O43 | 118.9° | 120.1° |
| C37 | P40 | O41 | H41 | 180.0° | 180.0° |
| C37 | P40 | O42 | H42 | 180.0° | 59.9° |
| O41 | P40 | O42 | O43 | 119.4° | 120.0° |
| O41 | P40 | O42 | H42 | 58.3° | 60.0° |
| O42 | P40 | O41 | H41 | 58.3° | 60.1° |
| O43 | P40 | O41 | H41 | 63.5° | 60.0° |
| O43 | P40 | O42 | H42 | 61.1° | 180.0° |
| C12 | C1 | C51 | N61 | 123.4° | 120.0° |
| C1 | C12 | C13 | H121 | 125.2° | 120.0° |
| C1 | C12 | C13 | H122 | 125.3° | 120.0° |
| C1 | C12 | H121 | H122 | 116.7° | 120.0° |
| C1 | C12 | C13 | C1A | 130.2° | 94.9° |
| C1 | C12 | C13 | C1B | 53.4° | 85.3° |
| C12 | C1 | C51 | C6A | 173.8° | 53.6° |
| C12 | C1 | C51 | C6B | 6.0° | 126.7° |
| C12 | C1 | N61 | N62 | 105.9° | 123.6° |
| C12 | C1 | N61 | C7B | 74.5° | 56.8° |
| C51 | C1 | C12 | C13 | 172.0° | 175.4° |
| C51 | C1 | C12 | H121 | 46.7° | 55.4° |
| C51 | C1 | C12 | H122 | 62.8° | 64.6° |
| C1 | C51 | C6A | C6B | 179.8° | 179.6° |
| C1 | C51 | C6A | C53 | 179.8° | 179.7° |
| C1 | C51 | C6A | H6A | 0.2° | 0.4° |
| C1 | C51 | C6B | C54 | 179.7° | 180.0° |
| C1 | C51 | C6B | H6B | 0.3° | 0.1° |
| C51 | C1 | N61 | N62 | 133.8° | 116.5° |
| C51 | C1 | N61 | C7B | 45.8° | 63.2° |
| N61 | C1 | C12 | C13 | 64.6° | 55.4° |
| N61 | C1 | C12 | H121 | 170.1° | 64.6° |
| N61 | C1 | C12 | H122 | 60.6° | 175.4° |
| N61 | C1 | C51 | C6A | 50.4° | 173.6° |
| N61 | C1 | C51 | C6B | 129.4° | 6.8° |
| C1 | N61 | N62 | C7B | 179.6° | 179.7° |
| C1 | N61 | N62 | N63 | 179.9° | 180.0° |
| C1 | N61 | C7B | C7A | 179.9° | 179.9° |
| C1 | N61 | C7B | C8B | 0.1° | 0.7° |
| C13 | C12 | H121 | H122 | 116.7° | 120.0° |
| C12 | C13 | C1A | C1B | 176.6° | 179.7° |
| C12 | C13 | C1A | C2A | 176.5° | 180.0° |
| C12 | C13 | C1A | H1A | 3.5° | 0.1° |
| C12 | C13 | C1B | C2B | 176.5° | 179.8° |
| C12 | C13 | C1B | H1B | 3.6° | 0.2° |
| H121 | C12 | C13 | C1A | 5.0° | 25.1° |
| H121 | C12 | C13 | C1B | 178.7° | 154.6° |
| H122 | C12 | C13 | C1A | 104.5° | 145.0° |
| H122 | C12 | C13 | C1B | 71.8° | 34.7° |
| C13 | C1A | C2A | H1A | 180.0° | 179.9° |
| C1A | C13 | C1B | C2B | 0.0° | 0.5° |
| C1A | C13 | C1B | H1B | 180.0° | 179.9° |
| C13 | C1A | C2A | C16 | 0.1° | 0.0° |
| C13 | C1A | C2A | H2A | 179.9° | 179.9° |
| C1B | C13 | C1A | C2A | 0.1° | 0.3° |
| C1B | C13 | C1A | H1A | 179.9° | 179.8° |
| C13 | C1B | C2B | H1B | 180.0° | 179.6° |
| C13 | C1B | C2B | C16 | 0.4° | 0.4° |
| C13 | C1B | C2B | H2B | 179.6° | 179.7° |
| C1A | C2A | C16 | H2A | 180.0° | 179.9° |
| C1A | C2A | C16 | C2B | 0.4° | 0.1° |
| C1A | C2A | C16 | C17 | 178.5° | 180.0° |
| H1A | C1A | C2A | C16 | 179.9° | 179.9° |
| H1A | C1A | C2A | H2A | 0.1° | 0.0° |
| C1B | C2B | C16 | C2A | 0.5° | 0.1° |
| C1B | C2B | C16 | H2B | 180.0° | 179.8° |
| C1B | C2B | C16 | C17 | 178.4° | 179.8° |
| H1B | C1B | C2B | C16 | 179.6° | 180.0° |
| H1B | C1B | C2B | H2B | 0.4° | 0.1° |
| C2A | C16 | C2B | C17 | 178.9° | 180.0° |
| C2A | C16 | C2B | H2B | 179.5° | 180.0° |
| C2A | C16 | C17 | F18 | 168.6° | 145.2° |
| C2A | C16 | C17 | F19 | 52.9° | 25.2° |
| C2A | C16 | C17 | P20 | 69.8° | 94.7° |
| H2A | C2A | C16 | C2B | 179.6° | 180.0° |
| H2A | C2A | C16 | C17 | 1.5° | 0.1° |
| C2B | C16 | C17 | F18 | 12.5° | 34.9° |
| C2B | C16 | C17 | F19 | 128.2° | 154.8° |
| C2B | C16 | C17 | P20 | 109.0° | 85.2° |
| H2B | C2B | C16 | C17 | 1.6° | 0.0° |
| C16 | C17 | F18 | F19 | 117.7° | 120.0° |
| C16 | C17 | F18 | P20 | 125.3° | 120.1° |
| C16 | C17 | F19 | P20 | 125.6° | 120.0° |
| C16 | C17 | P20 | O21 | 74.7° | 54.9° |
| C16 | C17 | P20 | O22 | 44.0° | 65.1° |
| C16 | C17 | P20 | O23 | 164.6° | 174.9° |
| F18 | C17 | F19 | P20 | 115.8° | 120.0° |
| F18 | C17 | P20 | O21 | 162.4° | 175.0° |
| F18 | C17 | P20 | O22 | 78.9° | 55.0° |
| F18 | C17 | P20 | O23 | 41.7° | 65.0° |
| F19 | C17 | P20 | O21 | 47.8° | 65.1° |
| F19 | C17 | P20 | O22 | 166.5° | 174.9° |
| F19 | C17 | P20 | O23 | 72.9° | 54.9° |
| C17 | P20 | O21 | O22 | 118.9° | 120.0° |
| C17 | P20 | O21 | O23 | 120.3° | 120.1° |
| C17 | P20 | O22 | O23 | 119.5° | 120.0° |
| C17 | P20 | O21 | H21 | 180.0° | 180.0° |
| C17 | P20 | O22 | H22 | 180.0° | 55.1° |
| O21 | P20 | O22 | O23 | 120.1° | 120.0° |
| O21 | P20 | O22 | H22 | 59.7° | 64.9° |
| O22 | P20 | O21 | H21 | 61.1° | 60.0° |
| O23 | P20 | O21 | H21 | 59.7° | 59.9° |
| O23 | P20 | O22 | H22 | 60.5° | 175.1° |
| C51 | C6A | C53 | H6A | 180.0° | 179.4° |
| C6A | C51 | C6B | C54 | 0.4° | 0.3° |
| C6A | C51 | C6B | H6B | 179.6° | 179.7° |
| C51 | C6A | C53 | C55 | 0.1° | 0.6° |
| C51 | C6A | C53 | F56 | 179.9° | 179.7° |
| C6B | C51 | C6A | C53 | 0.4° | 0.6° |
| C6B | C51 | C6A | H6A | 179.6° | 180.0° |
| C51 | C6B | C54 | H6B | 180.0° | 179.9° |
| C51 | C6B | C54 | C55 | 0.2° | 0.0° |
| C51 | C6B | C54 | H54 | 179.8° | 180.0° |
| C6A | C53 | C55 | F56 | 180.0° | 179.6° |
| C6A | C53 | C55 | C54 | 0.2° | 0.3° |
| C6A | C53 | C55 | F57 | 179.6° | 179.7° |
| H6A | C6A | C53 | C55 | 180.0° | 180.0° |
| H6A | C6A | C53 | F56 | 0.1° | 0.4° |
| C6B | C54 | C55 | C53 | 0.1° | 0.0° |
| C6B | C54 | C55 | H54 | 180.0° | 180.0° |
| C6B | C54 | C55 | F57 | 179.7° | 180.0° |
| H6B | C6B | C54 | C55 | 179.8° | 180.0° |
| H6B | C6B | C54 | H54 | 0.2° | 0.0° |
| C53 | C55 | C54 | F57 | 179.8° | 180.0° |
| C53 | C55 | C54 | H54 | 179.9° | 179.9° |
| C54 | C55 | C53 | F56 | 179.8° | 180.0° |
| F57 | C55 | C53 | F56 | 0.4° | 0.0° |
| F57 | C55 | C54 | H54 | 0.3° | 0.1° |
| N61 | N62 | N63 | C7A | 0.2° | 0.0° |
| N62 | N61 | C7B | C7A | 0.2° | 0.4° |
| N62 | N61 | C7B | C8B | 179.8° | 179.6° |
| C7B | N61 | N62 | N63 | 0.2° | 0.2° |
| N61 | C7B | C7A | N63 | 0.0° | 0.4° |
| N61 | C7B | C7A | C8B | 180.0° | 179.3° |
| N61 | C7B | C7A | C8A | 179.8° | 179.8° |
| N61 | C7B | C8B | C9B | 179.6° | 179.6° |
| N61 | C7B | C8B | H8B | 0.4° | 0.6° |
| N62 | N63 | C7A | C7B | 0.1° | 0.3° |
| N62 | N63 | C7A | C8A | 179.6° | 180.0° |
| N63 | C7A | C7B | C8A | 179.8° | 179.8° |
| N63 | C7A | C7B | C8B | 179.9° | 179.7° |
| N63 | C7A | C8A | C9A | 179.7° | 179.9° |
| N63 | C7A | C8A | H8A | 0.3° | 0.1° |
| C7B | C7A | C8A | C9A | 0.0° | 0.2° |
| C7B | C7A | C8A | H8A | 180.0° | 179.7° |
| C7A | C7B | C8B | C9B | 0.3° | 0.5° |
| C7A | C7B | C8B | H8B | 179.7° | 179.7° |
| C8A | C7A | C7B | C8B | 0.1° | 0.5° |
| C7A | C8A | C9A | H8A | 180.0° | 180.0° |
| C7A | C8A | C9A | C9B | 0.0° | 0.0° |
| C7A | C8A | C9A | H9A | 180.0° | 180.0° |
| C7B | C8B | C9B | H8B | 180.0° | 179.8° |
| C7B | C8B | C9B | C9A | 0.4° | 0.2° |
| C7B | C8B | C9B | H9B | 179.6° | 179.8° |
| C8A | C9A | C9B | C8B | 0.2° | 0.1° |
| C8A | C9A | C9B | H9A | 180.0° | 179.9° |
| C8A | C9A | C9B | H9B | 179.8° | 179.9° |
| H8A | C8A | C9A | C9B | 180.0° | 180.0° |
| H8A | C8A | C9A | H9A | 0.0° | 0.1° |
| C8B | C9B | C9A | H9B | 180.0° | 180.0° |
| C8B | C9B | C9A | H9A | 179.8° | 180.0° |
| H8B | C8B | C9B | C9A | 179.6° | 180.0° |
| H8B | C8B | C9B | H9B | 0.4° | 0.0° |
| H9A | C9A | C9B | H9B | 0.2° | 0.0° |
