335
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C33 | sing | 1.51Å | 1.56Å | |
| C32 | C1 | sing | 1.53Å | 1.62Å | |
| 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 | 1.39Å | Aromatic |
| C4A | H4A | sing | 1.08Å | 1.10Å | |
| C4B | C5B | doub | 1.38Å | 1.41Å | Aromatic |
| C4B | H4B | sing | 1.08Å | 1.10Å | |
| C5A | C36 | doub | 1.38Å | 1.41Å | Aromatic |
| C5A | H5A | sing | 1.08Å | 1.10Å | |
| C5B | C36 | sing | 1.38Å | 1.41Å | Aromatic |
| C5B | H5B | sing | 1.08Å | 1.10Å | |
| C36 | C37 | sing | 1.51Å | 1.50Å | |
| C37 | F38 | sing | 1.40Å | 1.34Å | |
| C37 | F39 | sing | 1.40Å | 1.33Å | |
| C37 | P40 | sing | 1.82Å | 1.71Å | |
| P40 | O41 | sing | 1.61Å | 1.55Å | |
| P40 | O42 | sing | 1.61Å | 1.43Å | |
| 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 | 1.62Å | |
| C1 | N61 | sing | 1.47Å | 1.54Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | C1A | doub | 1.38Å | 1.44Å | Aromatic |
| C13 | C1B | sing | 1.38Å | 1.44Å | Aromatic |
| C1A | C2A | sing | 1.38Å | 1.39Å | Aromatic |
| C1A | H1A | sing | 1.08Å | 1.10Å | |
| C1B | C2B | doub | 1.38Å | 1.43Å | Aromatic |
| C1B | H1B | sing | 1.08Å | 1.10Å | |
| C2A | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C2A | H2A | sing | 1.08Å | 1.10Å | |
| C2B | C16 | sing | 1.38Å | 1.44Å | Aromatic |
| C2B | H2B | sing | 1.08Å | 1.10Å | |
| C16 | C17 | sing | 1.51Å | 1.54Å | |
| C17 | F18 | sing | 1.40Å | 1.33Å | |
| C17 | F19 | sing | 1.40Å | 1.35Å | |
| C17 | P20 | sing | 1.82Å | 1.68Å | |
| P20 | O21 | sing | 1.61Å | 1.55Å | |
| P20 | O22 | sing | 1.61Å | 1.50Å | |
| P20 | O23 | doub | 1.48Å | 1.51Å | |
| O21 | H21 | sing | 0.97Å | 0.95Å | |
| O22 | H22 | sing | 0.97Å | 0.95Å | |
| C51 | C6A | doub | 1.38Å | 1.43Å | Aromatic |
| C51 | C6B | sing | 1.38Å | 1.46Å | Aromatic |
| C6A | C53 | sing | 1.38Å | 1.42Å | Aromatic |
| C6A | H6A | sing | 1.08Å | 1.10Å | |
| C6B | C54 | doub | 1.38Å | 1.41Å | Aromatic |
| C6B | H6B | sing | 1.08Å | 1.10Å | |
| C55 | C53 | doub | 1.38Å | 1.46Å | Aromatic |
| C55 | C54 | sing | 1.38Å | 1.42Å | Aromatic |
| C55 | H55 | sing | 1.08Å | 1.10Å | |
| C53 | H53 | sing | 1.08Å | 1.10Å | |
| C54 | H54 | sing | 1.08Å | 1.10Å | |
| N61 | N62 | sing | 1.37Å | 1.39Å | Aromatic |
| N61 | C7B | sing | 1.40Å | 1.51Å | Aromatic |
| N62 | N63 | doub | 1.23Å | 1.33Å | Aromatic |
| N63 | C7A | sing | 1.37Å | 1.37Å | Aromatic |
| C7A | C7B | doub | 1.40Å | 1.48Å | Aromatic |
| C7A | C8A | sing | 1.39Å | 1.42Å | Aromatic |
| C7B | C8B | sing | 1.37Å | 1.46Å | Aromatic |
| C8A | C9A | doub | 1.38Å | 1.44Å | Aromatic |
| C8A | H8A | sing | 1.08Å | 1.10Å | |
| C8B | C9B | doub | 1.39Å | 1.42Å | Aromatic |
| C8B | H8B | sing | 1.08Å | 1.10Å | |
| C9A | C9B | sing | 1.38Å | 1.46Å | 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 | 117.0° | 109.5° |
| C33 | C32 | H321 | 109.5° | 109.5° |
| C33 | C32 | H322 | 109.5° | 109.5° |
| C32 | C33 | C4A | 118.4° | 120.0° |
| C32 | C33 | C4B | 123.7° | 120.0° |
| C1 | C32 | H321 | 109.5° | 109.5° |
| C1 | C32 | H322 | 109.5° | 109.5° |
| C32 | C1 | C12 | 111.3° | 109.4° |
| C32 | C1 | C51 | 109.9° | 109.4° |
| C32 | C1 | N61 | 100.3° | 109.5° |
| H321 | C32 | H322 | 100.7° | 109.5° |
| C4A | C33 | C4B | 117.9° | 120.0° |
| C33 | C4A | C5A | 122.1° | 120.0° |
| C33 | C4A | H4A | 119.7° | 120.0° |
| C33 | C4B | C5B | 120.1° | 120.0° |
| C33 | C4B | H4B | 121.1° | 120.0° |
| C5A | C4A | H4A | 118.1° | 120.0° |
| C4A | C5A | C36 | 120.2° | 120.0° |
| C4A | C5A | H5A | 118.9° | 120.0° |
| C5B | C4B | H4B | 118.9° | 120.0° |
| C4B | C5B | C36 | 120.4° | 120.0° |
| C4B | C5B | H5B | 119.7° | 120.0° |
| C36 | C5A | H5A | 120.9° | 120.0° |
| C5A | C36 | C5B | 119.4° | 120.0° |
| C5A | C36 | C37 | 118.3° | 120.0° |
| C36 | C5B | H5B | 120.0° | 120.0° |
| C5B | C36 | C37 | 122.3° | 120.0° |
| C36 | C37 | F38 | 105.8° | 109.5° |
| C36 | C37 | F39 | 106.6° | 109.5° |
| C36 | C37 | P40 | 117.0° | 109.4° |
| F38 | C37 | F39 | 108.7° | 109.5° |
| F38 | C37 | P40 | 109.9° | 109.5° |
| F39 | C37 | P40 | 108.6° | 109.5° |
| C37 | P40 | O41 | 110.6° | 109.5° |
| C37 | P40 | O42 | 108.8° | 109.5° |
| C37 | P40 | O43 | 109.6° | 109.4° |
| O41 | P40 | O42 | 108.0° | 109.5° |
| O41 | P40 | O43 | 108.3° | 109.4° |
| P40 | O41 | H41 | 110.6° | 106.8° |
| O42 | P40 | O43 | 111.6° | 109.5° |
| P40 | O42 | H42 | 108.8° | 106.8° |
| C12 | C1 | C51 | 108.8° | 109.5° |
| C12 | C1 | N61 | 115.3° | 109.5° |
| C1 | C12 | C13 | 116.5° | 109.5° |
| C1 | C12 | H121 | 109.7° | 109.5° |
| C1 | C12 | H122 | 109.7° | 109.5° |
| C51 | C1 | N61 | 111.0° | 109.5° |
| C1 | C51 | C6A | 121.0° | 120.0° |
| C1 | C51 | C6B | 120.7° | 120.0° |
| C1 | N61 | N62 | 131.2° | 110.0° |
| C1 | N61 | C7B | 116.2° | 110.0° |
| C13 | C12 | H121 | 109.7° | 109.5° |
| C13 | C12 | H122 | 109.7° | 109.5° |
| C12 | C13 | C1A | 118.1° | 120.0° |
| C12 | C13 | C1B | 124.0° | 120.0° |
| H121 | C12 | H122 | 100.5° | 109.5° |
| C1A | C13 | C1B | 118.0° | 120.0° |
| C13 | C1A | C2A | 121.7° | 120.0° |
| C13 | C1A | H1A | 120.9° | 120.0° |
| C13 | C1B | C2B | 120.5° | 120.0° |
| C13 | C1B | H1B | 119.9° | 119.9° |
| C2A | C1A | H1A | 117.4° | 120.0° |
| C1A | C2A | C16 | 121.0° | 120.1° |
| C1A | C2A | H2A | 118.4° | 120.0° |
| C2B | C1B | H1B | 119.6° | 120.0° |
| C1B | C2B | C16 | 119.8° | 120.0° |
| C1B | C2B | H2B | 119.8° | 120.0° |
| C16 | C2A | H2A | 120.6° | 119.9° |
| C2A | C16 | C2B | 119.1° | 120.0° |
| C2A | C16 | C17 | 119.5° | 120.0° |
| C16 | C2B | H2B | 120.5° | 120.0° |
| C2B | C16 | C17 | 121.4° | 120.0° |
| C16 | C17 | F18 | 108.5° | 109.5° |
| C16 | C17 | F19 | 110.9° | 109.5° |
| C16 | C17 | P20 | 113.0° | 109.5° |
| F18 | C17 | F19 | 106.0° | 109.5° |
| F18 | C17 | P20 | 107.3° | 109.5° |
| F19 | C17 | P20 | 110.8° | 109.5° |
| C17 | P20 | O21 | 111.9° | 109.5° |
| C17 | P20 | O22 | 109.0° | 109.5° |
| C17 | P20 | O23 | 109.5° | 109.5° |
| O21 | P20 | O22 | 108.2° | 109.5° |
| O21 | P20 | O23 | 107.4° | 109.5° |
| P20 | O21 | H21 | 111.9° | 106.8° |
| O22 | P20 | O23 | 110.8° | 109.5° |
| P20 | O22 | H22 | 109.0° | 106.8° |
| C6A | C51 | C6B | 118.3° | 120.0° |
| C51 | C6A | C53 | 120.5° | 120.0° |
| C51 | C6A | H6A | 120.3° | 120.0° |
| C51 | C6B | C54 | 122.1° | 120.0° |
| C51 | C6B | H6B | 120.7° | 120.0° |
| C53 | C6A | H6A | 119.2° | 119.9° |
| C6A | C53 | C55 | 120.0° | 119.9° |
| C6A | C53 | H53 | 118.5° | 120.0° |
| C54 | C6B | H6B | 117.3° | 120.0° |
| C6B | C54 | C55 | 118.9° | 120.1° |
| C6B | C54 | H54 | 120.1° | 120.0° |
| C53 | C55 | C54 | 120.3° | 120.0° |
| C53 | C55 | H55 | 121.2° | 120.0° |
| C55 | C53 | H53 | 121.5° | 120.0° |
| C54 | C55 | H55 | 118.5° | 120.0° |
| C55 | C54 | H54 | 120.9° | 119.9° |
| N62 | N61 | C7B | 112.7° | 106.5° |
| N61 | N62 | N63 | 102.1° | 111.1° |
| N61 | C7B | C7A | 101.4° | 104.7° |
| N61 | C7B | C8B | 140.0° | 135.0° |
| N62 | N63 | C7A | 119.7° | 111.0° |
| N63 | C7A | C7B | 104.2° | 106.6° |
| N63 | C7A | C8A | 135.1° | 134.0° |
| C7B | C7A | C8A | 120.7° | 119.5° |
| C7A | C7B | C8B | 118.6° | 120.3° |
| C7A | C8A | C9A | 119.6° | 119.7° |
| C7A | C8A | H8A | 119.2° | 120.2° |
| C7B | C8B | C9B | 120.6° | 119.9° |
| C7B | C8B | H8B | 121.2° | 120.0° |
| C9A | C8A | H8A | 121.1° | 120.2° |
| C8A | C9A | C9B | 120.9° | 120.4° |
| C8A | C9A | H9A | 119.0° | 119.8° |
| C9B | C8B | H8B | 118.2° | 120.1° |
| C8B | C9B | C9A | 119.5° | 120.2° |
| C8B | C9B | H9B | 118.9° | 119.9° |
| C9B | C9A | H9A | 120.1° | 119.8° |
| C9A | C9B | H9B | 121.6° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C33 | C32 | C1 | H321 | 125.3° | 120.0° |
| C33 | C32 | C1 | H322 | 125.3° | 120.0° |
| C33 | C32 | H321 | H322 | 115.3° | 120.0° |
| C32 | C33 | C4A | C4B | 179.5° | 180.0° |
| C32 | C33 | C4A | C5A | 179.4° | 180.0° |
| C32 | C33 | C4A | H4A | 0.6° | 0.0° |
| C32 | C33 | C4B | C5B | 179.4° | 179.8° |
| C32 | C33 | C4B | H4B | 0.6° | 0.0° |
| C33 | C32 | C1 | C12 | 56.9° | 179.6° |
| C33 | C32 | C1 | C51 | 63.6° | 59.6° |
| C33 | C32 | C1 | N61 | 179.4° | 60.4° |
| C1 | C32 | H321 | H322 | 115.2° | 120.0° |
| C1 | C32 | C33 | C4A | 96.8° | 94.3° |
| C1 | C32 | C33 | C4B | 83.7° | 85.6° |
| C32 | C1 | C12 | C51 | 121.2° | 119.9° |
| C32 | C1 | C12 | N61 | 113.4° | 120.0° |
| C32 | C1 | C51 | N61 | 110.1° | 120.0° |
| C32 | C1 | C12 | C13 | 54.4° | 173.9° |
| C32 | C1 | C12 | H121 | 70.9° | 53.9° |
| C32 | C1 | C12 | H122 | 179.7° | 66.1° |
| C32 | C1 | C51 | C6A | 59.4° | 62.7° |
| C32 | C1 | C51 | C6B | 121.3° | 117.6° |
| C32 | C1 | N61 | N62 | 12.5° | 175.6° |
| C32 | C1 | N61 | C7B | 167.1° | 67.3° |
| H321 | C32 | C33 | C4A | 137.9° | 145.7° |
| H321 | C32 | C33 | C4B | 41.5° | 34.4° |
| H321 | C32 | C1 | C12 | 177.8° | 59.6° |
| H321 | C32 | C1 | C51 | 61.6° | 60.4° |
| H321 | C32 | C1 | N61 | 55.3° | 179.6° |
| H322 | C32 | C33 | C4A | 28.4° | 25.7° |
| H322 | C32 | C33 | C4B | 151.0° | 154.4° |
| H322 | C32 | C1 | C12 | 68.3° | 60.4° |
| H322 | C32 | C1 | C51 | 171.1° | 179.6° |
| H322 | C32 | C1 | N61 | 54.1° | 59.6° |
| C33 | C4A | C5A | H4A | 180.0° | 179.9° |
| C4A | C33 | C4B | C5B | 0.1° | 0.1° |
| C4A | C33 | C4B | H4B | 180.0° | 180.0° |
| C33 | C4A | C5A | C36 | 0.2° | 0.1° |
| C33 | C4A | C5A | H5A | 179.8° | 180.0° |
| C4B | C33 | C4A | C5A | 0.1° | 0.0° |
| C4B | C33 | C4A | H4A | 179.9° | 179.9° |
| C33 | C4B | C5B | H4B | 180.0° | 179.9° |
| C33 | C4B | C5B | C36 | 0.1° | 0.4° |
| C33 | C4B | C5B | H5B | 179.9° | 180.0° |
| C4A | C5A | C36 | H5A | 180.0° | 179.9° |
| C4A | C5A | C36 | C5B | 0.3° | 0.4° |
| C4A | C5A | C36 | C37 | 179.8° | 180.0° |
| H4A | C4A | C5A | C36 | 179.8° | 180.0° |
| H4A | C4A | C5A | H5A | 0.2° | 0.1° |
| C4B | C5B | C36 | C5A | 0.2° | 0.5° |
| C4B | C5B | C36 | H5B | 180.0° | 179.6° |
| C4B | C5B | C36 | C37 | 179.9° | 179.8° |
| H4B | C4B | C5B | C36 | 179.9° | 179.7° |
| H4B | C4B | C5B | H5B | 0.1° | 0.2° |
| C5A | C36 | C5B | C37 | 179.9° | 179.7° |
| C5A | C36 | C5B | H5B | 179.7° | 179.9° |
| C5A | C36 | C37 | F38 | 152.7° | 25.0° |
| C5A | C36 | C37 | F39 | 37.0° | 145.1° |
| C5A | C36 | C37 | P40 | 84.6° | 95.0° |
| H5A | C5A | C36 | C5B | 179.7° | 179.7° |
| H5A | C5A | C36 | C37 | 0.2° | 0.1° |
| C5B | C36 | C37 | F38 | 27.4° | 154.7° |
| C5B | C36 | C37 | F39 | 143.0° | 34.6° |
| C5B | C36 | C37 | P40 | 95.4° | 85.4° |
| H5B | C5B | C36 | C37 | 0.2° | 0.2° |
| C36 | C37 | F38 | F39 | 114.2° | 120.0° |
| C36 | C37 | F38 | P40 | 127.1° | 119.9° |
| C36 | C37 | F39 | P40 | 126.8° | 120.0° |
| C36 | C37 | P40 | O41 | 58.9° | 55.1° |
| C36 | C37 | P40 | O42 | 59.4° | 65.0° |
| C36 | C37 | P40 | O43 | 178.3° | 175.0° |
| F38 | C37 | F39 | P40 | 119.6° | 120.0° |
| F38 | C37 | P40 | O41 | 179.5° | 175.0° |
| F38 | C37 | P40 | O42 | 61.2° | 55.0° |
| F38 | C37 | P40 | O43 | 61.1° | 65.0° |
| F39 | C37 | P40 | O41 | 61.6° | 64.9° |
| F39 | C37 | P40 | O42 | 180.0° | 175.0° |
| F39 | C37 | P40 | O43 | 57.7° | 55.0° |
| C37 | P40 | O41 | O42 | 118.9° | 120.0° |
| C37 | P40 | O41 | O43 | 120.1° | 119.9° |
| C37 | P40 | O42 | O43 | 121.1° | 120.0° |
| C37 | P40 | O41 | H41 | 180.0° | 180.0° |
| C37 | P40 | O42 | H42 | 180.0° | 60.0° |
| O41 | P40 | O42 | O43 | 118.9° | 120.0° |
| O41 | P40 | O42 | H42 | 60.0° | 60.0° |
| O42 | P40 | O41 | H41 | 61.1° | 59.9° |
| O43 | P40 | O41 | H41 | 59.9° | 60.1° |
| O43 | P40 | O42 | H42 | 58.9° | 180.0° |
| C12 | C1 | C51 | N61 | 127.8° | 120.0° |
| C1 | C12 | C13 | H121 | 125.3° | 120.0° |
| C1 | C12 | C13 | H122 | 125.3° | 120.0° |
| C1 | C12 | H121 | H122 | 115.4° | 120.0° |
| C1 | C12 | C13 | C1A | 131.6° | 73.7° |
| C1 | C12 | C13 | C1B | 49.1° | 106.6° |
| C12 | C1 | C51 | C6A | 178.5° | 57.2° |
| C12 | C1 | C51 | C6B | 0.8° | 122.5° |
| C12 | C1 | N61 | N62 | 107.1° | 64.5° |
| C12 | C1 | N61 | C7B | 73.2° | 52.7° |
| C51 | C1 | C12 | C13 | 175.7° | 53.9° |
| C51 | C1 | C12 | H121 | 50.4° | 66.0° |
| C51 | C1 | C12 | H122 | 59.1° | 173.9° |
| C1 | C51 | C6A | C6B | 179.4° | 179.7° |
| C1 | C51 | C6A | C53 | 179.4° | 179.9° |
| C1 | C51 | C6A | H6A | 0.6° | 0.0° |
| C1 | C51 | C6B | C54 | 179.4° | 179.8° |
| C1 | C51 | C6B | H6B | 0.6° | 0.2° |
| C51 | C1 | N61 | N62 | 128.7° | 55.6° |
| C51 | C1 | N61 | C7B | 51.0° | 172.7° |
| N61 | C1 | C12 | C13 | 59.0° | 66.1° |
| N61 | C1 | C12 | H121 | 175.7° | 173.9° |
| N61 | C1 | C12 | H122 | 66.3° | 53.9° |
| N61 | C1 | C51 | C6A | 50.7° | 177.2° |
| N61 | C1 | C51 | C6B | 128.6° | 2.5° |
| C1 | N61 | N62 | C7B | 179.6° | 119.3° |
| C1 | N61 | N62 | N63 | 179.4° | 119.3° |
| C1 | N61 | C7B | C7A | 179.3° | 119.2° |
| C1 | N61 | C7B | C8B | 0.1° | 60.7° |
| C13 | C12 | H121 | H122 | 115.5° | 120.0° |
| C12 | C13 | C1A | C1B | 179.4° | 179.7° |
| C12 | C13 | C1A | C2A | 179.4° | 180.0° |
| C12 | C13 | C1A | H1A | 0.6° | 0.1° |
| C12 | C13 | C1B | C2B | 179.6° | 179.7° |
| C12 | C13 | C1B | H1B | 0.4° | 0.3° |
| H121 | C12 | C13 | C1A | 6.3° | 46.2° |
| H121 | C12 | C13 | C1B | 174.3° | 133.4° |
| H122 | C12 | C13 | C1A | 103.1° | 166.2° |
| H122 | C12 | C13 | C1B | 76.2° | 13.4° |
| C13 | C1A | C2A | H1A | 180.0° | 179.9° |
| C1A | C13 | C1B | C2B | 0.3° | 0.6° |
| C1A | C13 | C1B | H1B | 179.7° | 179.9° |
| C13 | C1A | C2A | C16 | 0.2° | 0.1° |
| C13 | C1A | C2A | H2A | 179.8° | 179.9° |
| C1B | C13 | C1A | C2A | 0.0° | 0.3° |
| C1B | C13 | C1A | H1A | 180.0° | 179.8° |
| C13 | C1B | C2B | H1B | 180.0° | 179.5° |
| C13 | C1B | C2B | C16 | 0.3° | 0.5° |
| C13 | C1B | C2B | H2B | 179.7° | 179.8° |
| C1A | C2A | C16 | H2A | 180.0° | 179.9° |
| C1A | C2A | C16 | C2B | 0.2° | 0.0° |
| C1A | C2A | C16 | C17 | 179.2° | 179.9° |
| H1A | C1A | C2A | C16 | 179.8° | 180.0° |
| H1A | C1A | C2A | H2A | 0.2° | 0.0° |
| C1B | C2B | C16 | C2A | 0.0° | 0.3° |
| C1B | C2B | C16 | H2B | 180.0° | 179.7° |
| C1B | C2B | C16 | C17 | 179.0° | 179.8° |
| H1B | C1B | C2B | C16 | 179.7° | 180.0° |
| H1B | C1B | C2B | H2B | 0.3° | 0.3° |
| C2A | C16 | C2B | C17 | 179.0° | 179.9° |
| C2A | C16 | C2B | H2B | 180.0° | 180.0° |
| C2A | C16 | C17 | F18 | 172.6° | 145.0° |
| C2A | C16 | C17 | F19 | 56.6° | 25.0° |
| C2A | C16 | C17 | P20 | 68.5° | 95.0° |
| H2A | C2A | C16 | C2B | 179.8° | 179.9° |
| H2A | C2A | C16 | C17 | 0.8° | 0.0° |
| C2B | C16 | C17 | F18 | 8.4° | 34.9° |
| C2B | C16 | C17 | F19 | 124.4° | 154.9° |
| C2B | C16 | C17 | P20 | 110.5° | 85.1° |
| H2B | C2B | C16 | C17 | 1.0° | 0.1° |
| C16 | C17 | F18 | F19 | 119.2° | 120.0° |
| C16 | C17 | F18 | P20 | 122.4° | 120.0° |
| C16 | C17 | F19 | P20 | 126.3° | 120.0° |
| C16 | C17 | P20 | O21 | 71.4° | 55.1° |
| C16 | C17 | P20 | O22 | 48.3° | 65.0° |
| C16 | C17 | P20 | O23 | 169.7° | 175.0° |
| F18 | C17 | F19 | P20 | 116.1° | 120.0° |
| F18 | C17 | P20 | O21 | 169.0° | 175.0° |
| F18 | C17 | P20 | O22 | 71.3° | 55.0° |
| F18 | C17 | P20 | O23 | 50.1° | 65.0° |
| F19 | C17 | P20 | O21 | 53.8° | 64.9° |
| F19 | C17 | P20 | O22 | 173.4° | 175.1° |
| F19 | C17 | P20 | O23 | 65.2° | 55.1° |
| C17 | P20 | O21 | O22 | 120.1° | 120.0° |
| C17 | P20 | O21 | O23 | 120.2° | 120.0° |
| C17 | P20 | O22 | O23 | 120.5° | 120.0° |
| C17 | P20 | O21 | H21 | 180.0° | 60.1° |
| C17 | P20 | O22 | H22 | 180.0° | 180.0° |
| O21 | P20 | O22 | O23 | 117.5° | 120.0° |
| O21 | P20 | O22 | H22 | 58.1° | 60.0° |
| O22 | P20 | O21 | H21 | 59.9° | 60.0° |
| O23 | P20 | O21 | H21 | 59.8° | 179.9° |
| O23 | P20 | O22 | H22 | 59.5° | 60.0° |
| C51 | C6A | C53 | H6A | 180.0° | 180.0° |
| C6A | C51 | C6B | C54 | 0.1° | 0.5° |
| C6A | C51 | C6B | H6B | 179.9° | 179.9° |
| C51 | C6A | C53 | C55 | 0.1° | 0.0° |
| C51 | C6A | C53 | H53 | 179.9° | 179.9° |
| C6B | C51 | C6A | C53 | 0.1° | 0.2° |
| C6B | C51 | C6A | H6A | 179.9° | 179.7° |
| C51 | C6B | C54 | H6B | 180.0° | 179.6° |
| C51 | C6B | C54 | C55 | 0.1° | 0.4° |
| C51 | C6B | C54 | H54 | 179.8° | 179.7° |
| C6A | C53 | C55 | H53 | 180.0° | 179.9° |
| C6A | C53 | C55 | C54 | 0.2° | 0.1° |
| C6A | C53 | C55 | H55 | 179.8° | 179.9° |
| H6A | C6A | C53 | C55 | 179.8° | 180.0° |
| H6A | C6A | C53 | H53 | 0.1° | 0.1° |
| C6B | C54 | C55 | C53 | 0.2° | 0.1° |
| C6B | C54 | C55 | H54 | 180.0° | 179.8° |
| C6B | C54 | C55 | H55 | 179.8° | 179.8° |
| H6B | C6B | C54 | C55 | 179.9° | 180.0° |
| H6B | C6B | C54 | H54 | 0.2° | 0.2° |
| C53 | C55 | C54 | H55 | 180.0° | 180.0° |
| C53 | C55 | C54 | H54 | 179.8° | 180.0° |
| C54 | C55 | C53 | H53 | 179.8° | 180.0° |
| H55 | C55 | C53 | H53 | 0.2° | 0.0° |
| H55 | C55 | C54 | H54 | 0.2° | 0.0° |
| N61 | N62 | N63 | C7A | 0.0° | 0.0° |
| N62 | N61 | C7B | C7A | 0.4° | 0.1° |
| N62 | N61 | C7B | C8B | 179.6° | 179.9° |
| C7B | N61 | N62 | N63 | 0.2° | 0.0° |
| N61 | C7B | C7A | N63 | 0.3° | 0.1° |
| N61 | C7B | C7A | C8B | 179.4° | 179.9° |
| N61 | C7B | C7A | C8A | 179.4° | 180.0° |
| N61 | C7B | C8B | C9B | 179.2° | 179.9° |
| N61 | C7B | C8B | H8B | 0.8° | 0.1° |
| N62 | N63 | C7A | C7B | 0.3° | 0.1° |
| N62 | N63 | C7A | C8A | 179.5° | 180.0° |
| N63 | C7A | C7B | C8A | 179.8° | 180.0° |
| N63 | C7A | C7B | C8B | 179.8° | 180.0° |
| N63 | C7A | C8A | C9A | 179.7° | 179.9° |
| N63 | C7A | C8A | H8A | 0.3° | 0.1° |
| C7B | C7A | C8A | C9A | 0.0° | 0.0° |
| C7B | C7A | C8A | H8A | 180.0° | 179.9° |
| C7A | C7B | C8B | C9B | 0.1° | 0.1° |
| C7A | C7B | C8B | H8B | 179.9° | 180.0° |
| C8A | C7A | C7B | C8B | 0.0° | 0.1° |
| C7A | C8A | C9A | H8A | 180.0° | 179.9° |
| C7A | C8A | C9A | C9B | 0.0° | 0.1° |
| C7A | C8A | C9A | H9A | 180.0° | 180.0° |
| C7B | C8B | C9B | H8B | 180.0° | 180.0° |
| C7B | C8B | C9B | C9A | 0.1° | 0.0° |
| C7B | C8B | C9B | H9B | 179.9° | 179.9° |
| C8A | C9A | C9B | C8B | 0.1° | 0.1° |
| C8A | C9A | C9B | H9A | 180.0° | 180.0° |
| C8A | C9A | C9B | H9B | 179.9° | 180.0° |
| H8A | C8A | C9A | C9B | 180.0° | 179.9° |
| H8A | C8A | C9A | H9A | 0.1° | 0.1° |
| C8B | C9B | C9A | H9B | 180.0° | 180.0° |
| C8B | C9B | C9A | H9A | 179.9° | 180.0° |
| H8B | C8B | C9B | C9A | 179.9° | 180.0° |
| H8B | C8B | C9B | H9B | 0.1° | 0.0° |
| H9A | C9A | C9B | H9B | 0.1° | 0.0° |
