P90
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C32 | sing | 1.53Å | 1.64Å | |
| C1 | N61 | sing | 1.47Å | 1.53Å | |
| C1 | C51 | sing | 1.51Å | 1.52Å | |
| C1 | C12 | sing | 1.53Å | 1.59Å | |
| C32 | C33 | sing | 1.51Å | 1.55Å | |
| C32 | H321 | sing | 1.09Å | 1.11Å | |
| C32 | H322 | sing | 1.09Å | 1.12Å | |
| C33 | C4A | doub | 1.38Å | 1.44Å | Aromatic |
| C33 | C4B | sing | 1.38Å | 1.45Å | 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 | 1.46Å | Aromatic |
| C5A | H5A | sing | 1.08Å | 1.10Å | |
| C5B | C36 | sing | 1.38Å | 1.43Å | Aromatic |
| C5B | H5B | sing | 1.08Å | 1.10Å | |
| C36 | C37 | sing | 1.51Å | 1.48Å | |
| C37 | F38 | sing | 1.40Å | 1.37Å | |
| C37 | F39 | sing | 1.40Å | 1.37Å | |
| C37 | P40 | sing | 1.82Å | 1.86Å | |
| P40 | O41 | sing | 1.61Å | 1.49Å | |
| P40 | O42 | doub | 1.48Å | 1.45Å | |
| P40 | O43 | sing | 1.61Å | 1.48Å | |
| O41 | H41 | sing | 0.97Å | 0.95Å | |
| O43 | H43 | sing | 0.97Å | 0.95Å | |
| N61 | N62 | sing | 1.40Å | 1.41Å | Aromatic |
| N61 | C7B | sing | 1.38Å | 1.37Å | Aromatic |
| N62 | N63 | doub | 1.29Å | 1.39Å | Aromatic |
| N63 | C7A | sing | 1.35Å | 1.34Å | Aromatic |
| C7A | C7B | doub | 1.40Å | 1.41Å | Aromatic |
| C7A | C8A | sing | 1.40Å | 1.41Å | Aromatic |
| C7B | C8B | sing | 1.39Å | 1.47Å | Aromatic |
| C8A | C9A | doub | 1.36Å | 1.44Å | Aromatic |
| C8A | H8A | sing | 1.08Å | 1.10Å | |
| C8B | C9B | doub | 1.38Å | 1.43Å | Aromatic |
| C8B | H8B | sing | 1.08Å | 1.10Å | |
| C9A | C9B | sing | 1.39Å | 1.45Å | Aromatic |
| C9A | H9A | sing | 1.08Å | 1.10Å | |
| C9B | H9B | sing | 1.08Å | 1.10Å | |
| C51 | S52 | sing | 1.74Å | 1.81Å | Aromatic |
| C51 | N53 | doub | 1.30Å | 1.33Å | Aromatic |
| S52 | C55 | sing | 1.78Å | 1.75Å | Aromatic |
| N53 | C54 | sing | 1.35Å | 1.35Å | Aromatic |
| C54 | C55 | doub | 1.41Å | 1.47Å | Aromatic |
| C54 | C59 | sing | 1.41Å | 1.43Å | Aromatic |
| C55 | C56 | sing | 1.37Å | 1.41Å | Aromatic |
| C56 | C57 | doub | 1.38Å | 1.44Å | Aromatic |
| C56 | H56 | sing | 1.08Å | 1.10Å | |
| C57 | C58 | sing | 1.39Å | 1.44Å | Aromatic |
| C57 | H57 | sing | 1.08Å | 1.10Å | |
| C58 | C59 | doub | 1.36Å | 1.43Å | Aromatic |
| C58 | H58 | sing | 1.08Å | 1.10Å | |
| C59 | H59 | sing | 1.08Å | 1.10Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C13 | C14 | doub | 1.33Å | 1.30Å | |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | sing | 1.48Å | 1.52Å | |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | C1A | doub | 1.39Å | 1.42Å | Aromatic |
| C15 | C1B | sing | 1.39Å | 1.44Å | Aromatic |
| C1A | C2A | sing | 1.38Å | 1.42Å | 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 | 1.44Å | Aromatic |
| C2A | H2A | sing | 1.08Å | 1.10Å | |
| C2B | C16 | sing | 1.38Å | 1.44Å | Aromatic |
| C2B | H2B | sing | 1.08Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | C1 | N61 | 108.1° | 109.5° |
| C32 | C1 | C51 | 103.4° | 109.5° |
| C32 | C1 | C12 | 111.1° | 109.5° |
| C1 | C32 | C33 | 119.4° | 109.5° |
| C1 | C32 | H321 | 108.7° | 109.5° |
| C1 | C32 | H322 | 108.6° | 109.5° |
| N61 | C1 | C51 | 113.6° | 109.5° |
| N61 | C1 | C12 | 111.0° | 109.4° |
| C1 | N61 | N62 | 118.4° | 126.7° |
| C1 | N61 | C7B | 133.2° | 126.8° |
| C51 | C1 | C12 | 109.5° | 109.5° |
| C1 | C51 | S52 | 125.2° | 128.4° |
| C1 | C51 | N53 | 122.2° | 128.3° |
| C1 | C12 | C13 | 111.0° | 109.5° |
| C1 | C12 | H121 | 111.7° | 109.5° |
| C1 | C12 | H122 | 111.6° | 109.5° |
| C33 | C32 | H321 | 108.6° | 109.4° |
| C33 | C32 | H322 | 108.7° | 109.5° |
| C32 | C33 | C4A | 119.0° | 120.0° |
| C32 | C33 | C4B | 121.4° | 120.0° |
| H321 | C32 | H322 | 101.4° | 109.4° |
| C4A | C33 | C4B | 119.5° | 120.0° |
| C33 | C4A | C5A | 120.6° | 120.0° |
| C33 | C4A | H4A | 120.8° | 120.0° |
| C33 | C4B | C5B | 120.7° | 119.9° |
| C33 | C4B | H4B | 120.5° | 120.0° |
| C5A | C4A | H4A | 118.6° | 120.0° |
| C4A | C5A | C36 | 119.6° | 120.0° |
| C4A | C5A | H5A | 118.4° | 120.0° |
| C5B | C4B | H4B | 118.7° | 120.0° |
| C4B | C5B | C36 | 119.1° | 120.0° |
| C4B | C5B | H5B | 120.1° | 119.9° |
| C36 | C5A | H5A | 122.1° | 120.0° |
| C5A | C36 | C5B | 120.6° | 120.0° |
| C5A | C36 | C37 | 118.3° | 120.0° |
| C36 | C5B | H5B | 120.9° | 120.1° |
| C5B | C36 | C37 | 121.1° | 120.0° |
| C36 | C37 | F38 | 108.6° | 109.5° |
| C36 | C37 | F39 | 107.5° | 109.5° |
| C36 | C37 | P40 | 114.3° | 109.5° |
| F38 | C37 | F39 | 108.2° | 109.4° |
| F38 | C37 | P40 | 108.0° | 109.5° |
| F39 | C37 | P40 | 109.9° | 109.5° |
| C37 | P40 | O41 | 105.6° | 109.4° |
| C37 | P40 | O42 | 109.4° | 109.5° |
| C37 | P40 | O43 | 108.4° | 109.5° |
| O41 | P40 | O42 | 111.3° | 109.5° |
| O41 | P40 | O43 | 110.9° | 109.5° |
| P40 | O41 | H41 | 105.6° | 106.8° |
| O42 | P40 | O43 | 111.1° | 109.5° |
| P40 | O43 | H43 | 108.4° | 106.8° |
| N62 | N61 | C7B | 108.4° | 106.5° |
| N61 | N62 | N63 | 101.3° | 109.4° |
| N61 | C7B | C7A | 111.6° | 106.1° |
| N61 | C7B | C8B | 127.9° | 134.0° |
| N62 | N63 | C7A | 118.0° | 110.3° |
| N63 | C7A | C7B | 100.7° | 107.6° |
| N63 | C7A | C8A | 137.6° | 133.1° |
| C7B | C7A | C8A | 121.7° | 119.3° |
| C7A | C7B | C8B | 120.5° | 119.9° |
| C7A | C8A | C9A | 119.1° | 119.9° |
| C7A | C8A | H8A | 119.4° | 120.0° |
| C7B | C8B | C9B | 118.4° | 119.7° |
| C7B | C8B | H8B | 122.1° | 120.1° |
| C9A | C8A | H8A | 121.5° | 120.1° |
| C8A | C9A | C9B | 120.2° | 120.8° |
| C8A | C9A | H9A | 119.6° | 119.6° |
| C9B | C8B | H8B | 119.6° | 120.1° |
| C8B | C9B | C9A | 120.1° | 120.4° |
| C8B | C9B | H9B | 119.2° | 119.8° |
| C9B | C9A | H9A | 120.2° | 119.7° |
| C9A | C9B | H9B | 120.7° | 119.8° |
| S52 | C51 | N53 | 112.6° | 103.3° |
| C51 | S52 | C55 | 88.7° | 97.6° |
| C51 | N53 | C54 | 116.0° | 122.5° |
| S52 | C55 | C54 | 110.7° | 102.1° |
| S52 | C55 | C56 | 128.9° | 135.5° |
| N53 | C54 | C55 | 112.0° | 114.5° |
| N53 | C54 | C59 | 128.6° | 129.0° |
| C55 | C54 | C59 | 119.3° | 116.5° |
| C54 | C55 | C56 | 120.4° | 122.4° |
| C54 | C59 | C58 | 120.0° | 120.7° |
| C54 | C59 | H59 | 119.9° | 119.7° |
| C55 | C56 | C57 | 120.0° | 119.4° |
| C55 | C56 | H56 | 119.2° | 120.3° |
| C57 | C56 | H56 | 120.8° | 120.3° |
| C56 | C57 | C58 | 119.9° | 119.4° |
| C56 | C57 | H57 | 119.8° | 120.4° |
| C58 | C57 | H57 | 120.3° | 120.2° |
| C57 | C58 | C59 | 120.4° | 121.6° |
| C57 | C58 | H58 | 120.3° | 119.2° |
| C59 | C58 | H58 | 119.3° | 119.2° |
| C58 | C59 | H59 | 120.1° | 119.7° |
| C13 | C12 | H121 | 111.6° | 109.4° |
| C13 | C12 | H122 | 111.7° | 109.4° |
| C12 | C13 | C14 | 120.8° | 120.0° |
| C12 | C13 | H13 | 127.2° | 120.0° |
| H121 | C12 | H122 | 98.7° | 109.5° |
| C14 | C13 | H13 | 111.9° | 120.0° |
| C13 | C14 | C15 | 123.1° | 120.0° |
| C13 | C14 | H14 | 110.4° | 120.0° |
| C15 | C14 | H14 | 126.5° | 120.0° |
| C14 | C15 | C1A | 118.4° | 120.1° |
| C14 | C15 | C1B | 121.5° | 120.1° |
| C1A | C15 | C1B | 120.1° | 119.7° |
| C15 | C1A | C2A | 120.2° | 119.8° |
| C15 | C1A | H1A | 119.9° | 120.1° |
| C15 | C1B | C2B | 120.0° | 119.9° |
| C15 | C1B | H1B | 120.1° | 120.1° |
| C2A | C1A | H1A | 119.9° | 120.1° |
| C1A | C2A | C16 | 120.4° | 120.1° |
| C1A | C2A | H2A | 119.2° | 119.9° |
| C2B | C1B | H1B | 119.9° | 120.1° |
| C1B | C2B | C16 | 119.6° | 120.1° |
| C1B | C2B | H2B | 120.2° | 120.0° |
| C16 | C2A | H2A | 120.4° | 119.9° |
| C2A | C16 | C2B | 119.7° | 120.3° |
| C2A | C16 | H16 | 120.3° | 119.8° |
| C16 | C2B | H2B | 120.2° | 119.9° |
| C2B | C16 | H16 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | C1 | N61 | C51 | 114.1° | 120.1° |
| C32 | C1 | N61 | C12 | 122.1° | 120.0° |
| C32 | C1 | C51 | C12 | 118.5° | 120.0° |
| C1 | C32 | C33 | H321 | 125.3° | 120.1° |
| C1 | C32 | C33 | H322 | 125.3° | 120.0° |
| C1 | C32 | H321 | H322 | 114.3° | 120.0° |
| C1 | C32 | C33 | C4A | 88.6° | 88.5° |
| C1 | C32 | C33 | C4B | 91.3° | 91.5° |
| C32 | C1 | N61 | N62 | 17.6° | 120.0° |
| C32 | C1 | N61 | C7B | 161.7° | 60.3° |
| C32 | C1 | C51 | S52 | 105.0° | 120.0° |
| C32 | C1 | C51 | N53 | 74.7° | 59.6° |
| C32 | C1 | C12 | C13 | 53.4° | 178.6° |
| C32 | C1 | C12 | H121 | 71.9° | 58.6° |
| C32 | C1 | C12 | H122 | 178.6° | 61.5° |
| N61 | C1 | C51 | C12 | 124.6° | 119.9° |
| N61 | C1 | C32 | C33 | 179.4° | 58.6° |
| N61 | C1 | C32 | H321 | 54.1° | 178.6° |
| N61 | C1 | C32 | H322 | 55.3° | 61.4° |
| C1 | N61 | N62 | C7B | 179.5° | 179.7° |
| C1 | N61 | N62 | N63 | 179.5° | 180.0° |
| C1 | N61 | C7B | C7A | 179.6° | 179.9° |
| C1 | N61 | C7B | C8B | 0.4° | 0.7° |
| N61 | C1 | C51 | S52 | 138.0° | 0.1° |
| N61 | C1 | C51 | N53 | 42.2° | 179.7° |
| N61 | C1 | C12 | C13 | 67.0° | 61.5° |
| N61 | C1 | C12 | H121 | 167.8° | 178.5° |
| N61 | C1 | C12 | H122 | 58.3° | 58.5° |
| C51 | C1 | C32 | C33 | 59.9° | 61.4° |
| C51 | C1 | C32 | H321 | 174.8° | 58.6° |
| C51 | C1 | C32 | H322 | 65.4° | 178.6° |
| C51 | C1 | N61 | N62 | 131.8° | 0.1° |
| C51 | C1 | N61 | C7B | 47.6° | 179.6° |
| C1 | C51 | S52 | N53 | 179.7° | 179.7° |
| C1 | C51 | S52 | C55 | 179.6° | 180.0° |
| C1 | C51 | N53 | C54 | 179.5° | 179.8° |
| C51 | C1 | C12 | C13 | 166.9° | 58.5° |
| C51 | C1 | C12 | H121 | 41.6° | 61.5° |
| C51 | C1 | C12 | H122 | 67.8° | 178.5° |
| C12 | C1 | C32 | C33 | 57.4° | 178.6° |
| C12 | C1 | C32 | H321 | 67.8° | 61.4° |
| C12 | C1 | C32 | H322 | 177.3° | 58.6° |
| C12 | C1 | N61 | N62 | 104.4° | 120.0° |
| C12 | C1 | N61 | C7B | 76.2° | 59.6° |
| C12 | C1 | C51 | S52 | 13.4° | 120.0° |
| C12 | C1 | C51 | N53 | 166.9° | 60.4° |
| C1 | C12 | C13 | H121 | 125.3° | 120.0° |
| C1 | C12 | C13 | H122 | 125.2° | 120.0° |
| C1 | C12 | H121 | H122 | 117.5° | 120.0° |
| C1 | C12 | C13 | C14 | 176.8° | 125.4° |
| C1 | C12 | C13 | H13 | 3.2° | 54.6° |
| C33 | C32 | H321 | H322 | 114.4° | 120.0° |
| C32 | C33 | C4A | C4B | 179.9° | 180.0° |
| C32 | C33 | C4A | C5A | 179.0° | 180.0° |
| C32 | C33 | C4A | H4A | 1.0° | 0.0° |
| C32 | C33 | C4B | C5B | 179.2° | 179.8° |
| C32 | C33 | C4B | H4B | 0.8° | 0.1° |
| H321 | C32 | C33 | C4A | 36.7° | 151.5° |
| H321 | C32 | C33 | C4B | 143.4° | 28.6° |
| H322 | C32 | C33 | C4A | 146.2° | 31.5° |
| H322 | C32 | C33 | C4B | 34.0° | 148.5° |
| C33 | C4A | C5A | H4A | 180.0° | 180.0° |
| C4A | C33 | C4B | C5B | 0.7° | 0.1° |
| C4A | C33 | C4B | H4B | 179.4° | 180.0° |
| C33 | C4A | C5A | C36 | 0.3° | 0.0° |
| C33 | C4A | C5A | H5A | 179.7° | 180.0° |
| C4B | C33 | C4A | C5A | 0.8° | 0.1° |
| C4B | C33 | C4A | H4A | 179.2° | 179.9° |
| C33 | C4B | C5B | H4B | 180.0° | 179.9° |
| C33 | C4B | C5B | C36 | 0.0° | 0.4° |
| C33 | C4B | C5B | H5B | 180.0° | 180.0° |
| C4A | C5A | C36 | H5A | 180.0° | 179.9° |
| C4A | C5A | C36 | C5B | 0.4° | 0.2° |
| C4A | C5A | C36 | C37 | 178.3° | 180.0° |
| H4A | C4A | C5A | C36 | 179.7° | 180.0° |
| H4A | C4A | C5A | H5A | 0.3° | 0.1° |
| C4B | C5B | C36 | C5A | 0.5° | 0.5° |
| C4B | C5B | C36 | H5B | 180.0° | 179.6° |
| C4B | C5B | C36 | C37 | 178.0° | 179.8° |
| H4B | C4B | C5B | C36 | 180.0° | 179.7° |
| H4B | C4B | C5B | H5B | 0.0° | 0.1° |
| C5A | C36 | C5B | C37 | 178.6° | 179.7° |
| C5A | C36 | C5B | H5B | 179.5° | 180.0° |
| C5A | C36 | C37 | F38 | 148.4° | 25.6° |
| C5A | C36 | C37 | F39 | 31.5° | 145.6° |
| C5A | C36 | C37 | P40 | 90.9° | 94.4° |
| H5A | C5A | C36 | C5B | 179.6° | 179.7° |
| H5A | C5A | C36 | C37 | 1.7° | 0.0° |
| C5B | C36 | C37 | F38 | 30.2° | 154.1° |
| C5B | C36 | C37 | F39 | 147.1° | 34.2° |
| C5B | C36 | C37 | P40 | 90.5° | 85.9° |
| H5B | C5B | C36 | C37 | 2.0° | 0.2° |
| C36 | C37 | F38 | F39 | 116.5° | 120.0° |
| C36 | C37 | F38 | P40 | 124.5° | 120.1° |
| C36 | C37 | F39 | P40 | 125.0° | 120.1° |
| C36 | C37 | P40 | O41 | 59.2° | 55.2° |
| C36 | C37 | P40 | O42 | 60.6° | 175.2° |
| C36 | C37 | P40 | O43 | 178.1° | 64.8° |
| F38 | C37 | F39 | P40 | 117.8° | 120.0° |
| F38 | C37 | P40 | O41 | 179.8° | 175.2° |
| F38 | C37 | P40 | O42 | 60.4° | 64.8° |
| F38 | C37 | P40 | O43 | 60.9° | 55.2° |
| F39 | C37 | P40 | O41 | 61.9° | 64.9° |
| F39 | C37 | P40 | O42 | 178.3° | 55.1° |
| F39 | C37 | P40 | O43 | 57.0° | 175.1° |
| C37 | P40 | O41 | O42 | 118.5° | 120.0° |
| C37 | P40 | O41 | O43 | 117.2° | 120.0° |
| C37 | P40 | O42 | O43 | 119.6° | 120.0° |
| C37 | P40 | O41 | H41 | 180.0° | 180.0° |
| C37 | P40 | O43 | H43 | 180.0° | 59.9° |
| O41 | P40 | O42 | O43 | 124.1° | 120.0° |
| O41 | P40 | O43 | H43 | 64.5° | 60.0° |
| O42 | P40 | O41 | H41 | 61.4° | 60.0° |
| O42 | P40 | O43 | H43 | 59.8° | 180.0° |
| O43 | P40 | O41 | H41 | 62.8° | 60.0° |
| N61 | N62 | N63 | C7A | 0.1° | 0.0° |
| N62 | N61 | C7B | C7A | 0.1° | 0.3° |
| N62 | N61 | C7B | C8B | 179.8° | 179.6° |
| C7B | N61 | N62 | N63 | 0.0° | 0.3° |
| N61 | C7B | C7A | N63 | 0.2° | 0.3° |
| N61 | C7B | C7A | C8B | 180.0° | 179.4° |
| N61 | C7B | C7A | C8A | 179.9° | 179.8° |
| N61 | C7B | C8B | C9B | 179.9° | 179.6° |
| N61 | C7B | C8B | H8B | 0.1° | 0.6° |
| N62 | N63 | C7A | C7B | 0.2° | 0.2° |
| N62 | N63 | C7A | C8A | 179.9° | 180.0° |
| N63 | C7A | C7B | C8A | 179.9° | 179.8° |
| N63 | C7A | C7B | C8B | 179.8° | 179.7° |
| N63 | C7A | C8A | C9A | 179.9° | 180.0° |
| N63 | C7A | C8A | H8A | 0.1° | 0.0° |
| C7B | C7A | C8A | C9A | 0.1° | 0.2° |
| C7B | C7A | C8A | H8A | 179.9° | 179.8° |
| C7A | C7B | C8B | C9B | 0.1° | 0.5° |
| C7A | C7B | C8B | H8B | 179.9° | 179.8° |
| C8A | C7A | C7B | C8B | 0.1° | 0.5° |
| C7A | C8A | C9A | H8A | 180.0° | 180.0° |
| C7A | C8A | C9A | C9B | 0.2° | 0.0° |
| C7A | C8A | C9A | H9A | 179.8° | 180.0° |
| C7B | C8B | C9B | H8B | 180.0° | 179.8° |
| C7B | C8B | C9B | C9A | 0.0° | 0.2° |
| C7B | C8B | C9B | H9B | 180.0° | 179.8° |
| C8A | C9A | C9B | C8B | 0.2° | 0.0° |
| C8A | C9A | C9B | H9A | 180.0° | 179.9° |
| C8A | C9A | C9B | H9B | 179.8° | 180.0° |
| H8A | C8A | C9A | C9B | 179.8° | 180.0° |
| H8A | C8A | C9A | H9A | 0.2° | 0.0° |
| C8B | C9B | C9A | H9B | 180.0° | 180.0° |
| C8B | C9B | C9A | H9A | 179.8° | 180.0° |
| H8B | C8B | C9B | C9A | 180.0° | 180.0° |
| H8B | C8B | C9B | H9B | 0.0° | 0.0° |
| H9A | C9A | C9B | H9B | 0.2° | 0.0° |
| S52 | C51 | N53 | C54 | 0.2° | 0.5° |
| C51 | S52 | C55 | C54 | 0.0° | 0.0° |
| C51 | S52 | C55 | C56 | 179.5° | 180.0° |
| N53 | C51 | S52 | C55 | 0.2° | 0.3° |
| C51 | N53 | C54 | C55 | 0.2° | 0.5° |
| C51 | N53 | C54 | C59 | 179.9° | 179.8° |
| S52 | C55 | C54 | N53 | 0.1° | 0.2° |
| S52 | C55 | C54 | C56 | 179.6° | 180.0° |
| S52 | C55 | C54 | C59 | 180.0° | 180.0° |
| S52 | C55 | C56 | C57 | 179.8° | 179.9° |
| S52 | C55 | C56 | H56 | 0.2° | 0.1° |
| N53 | C54 | C55 | C59 | 179.9° | 179.7° |
| N53 | C54 | C55 | C56 | 179.7° | 179.7° |
| N53 | C54 | C59 | C58 | 179.8° | 179.7° |
| N53 | C54 | C59 | H59 | 0.2° | 0.4° |
| C54 | C55 | C56 | C57 | 0.2° | 0.0° |
| C54 | C55 | C56 | H56 | 179.7° | 180.0° |
| C55 | C54 | C59 | C58 | 0.3° | 0.0° |
| C55 | C54 | C59 | H59 | 179.7° | 179.9° |
| C59 | C54 | C55 | C56 | 0.4° | 0.0° |
| C54 | C59 | C58 | C57 | 0.1° | 0.0° |
| C54 | C59 | C58 | H59 | 180.0° | 179.9° |
| C54 | C59 | C58 | H58 | 179.9° | 180.0° |
| C55 | C56 | C57 | H56 | 180.0° | 180.0° |
| C55 | C56 | C57 | C58 | 0.0° | 0.0° |
| C55 | C56 | C57 | H57 | 180.0° | 180.0° |
| C56 | C57 | C58 | H57 | 180.0° | 180.0° |
| C56 | C57 | C58 | C59 | 0.1° | 0.0° |
| C56 | C57 | C58 | H58 | 179.9° | 180.0° |
| H56 | C56 | C57 | C58 | 180.0° | 180.0° |
| H56 | C56 | C57 | H57 | 0.0° | 0.0° |
| C57 | C58 | C59 | H58 | 180.0° | 180.0° |
| C57 | C58 | C59 | H59 | 179.9° | 179.9° |
| H57 | C57 | C58 | C59 | 179.9° | 180.0° |
| H57 | C57 | C58 | H58 | 0.1° | 0.0° |
| H58 | C58 | C59 | H59 | 0.1° | 0.0° |
| C13 | C12 | H121 | H122 | 117.6° | 119.9° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 179.2° | 174.2° |
| C12 | C13 | C14 | H14 | 0.8° | 5.8° |
| H121 | C12 | C13 | C14 | 51.5° | 5.3° |
| H121 | C12 | C13 | H13 | 128.4° | 174.6° |
| H122 | C12 | C13 | C14 | 57.9° | 114.6° |
| H122 | C12 | C13 | H13 | 122.1° | 65.4° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C1A | 138.2° | 4.7° |
| C13 | C14 | C15 | C1B | 43.0° | 175.1° |
| H13 | C13 | C14 | C15 | 0.8° | 5.7° |
| H13 | C13 | C14 | H14 | 179.2° | 174.2° |
| C14 | C15 | C1A | C1B | 178.8° | 179.7° |
| C14 | C15 | C1A | C2A | 178.8° | 179.7° |
| C14 | C15 | C1A | H1A | 1.1° | 0.3° |
| C14 | C15 | C1B | C2B | 178.7° | 180.0° |
| C14 | C15 | C1B | H1B | 1.2° | 0.0° |
| H14 | C14 | C15 | C1A | 41.8° | 175.4° |
| H14 | C14 | C15 | C1B | 137.0° | 4.9° |
| C15 | C1A | C2A | H1A | 180.0° | 179.4° |
| C1A | C15 | C1B | C2B | 0.0° | 0.2° |
| C1A | C15 | C1B | H1B | 180.0° | 179.7° |
| C15 | C1A | C2A | C16 | 0.1° | 0.6° |
| C15 | C1A | C2A | H2A | 179.9° | 179.7° |
| C1B | C15 | C1A | C2A | 0.0° | 0.6° |
| C1B | C15 | C1A | H1A | 179.9° | 180.0° |
| C15 | C1B | C2B | H1B | 180.0° | 180.0° |
| C15 | C1B | C2B | C16 | 0.0° | 0.0° |
| C15 | C1B | C2B | H2B | 180.0° | 179.9° |
| C1A | C2A | C16 | H2A | 180.0° | 179.7° |
| C1A | C2A | C16 | C2B | 0.2° | 0.3° |
| C1A | C2A | C16 | H16 | 179.8° | 179.7° |
| H1A | C1A | C2A | C16 | 179.8° | 179.9° |
| H1A | C1A | C2A | H2A | 0.2° | 0.3° |
| C1B | C2B | C16 | C2A | 0.1° | 0.0° |
| C1B | C2B | C16 | H2B | 180.0° | 179.9° |
| C1B | C2B | C16 | H16 | 179.9° | 179.9° |
| H1B | C1B | C2B | C16 | 180.0° | 180.0° |
| H1B | C1B | C2B | H2B | 0.0° | 0.1° |
| C2A | C16 | C2B | H16 | 180.0° | 179.9° |
| C2A | C16 | C2B | H2B | 179.9° | 179.9° |
| H2A | C2A | C16 | C2B | 179.8° | 180.0° |
| H2A | C2A | C16 | H16 | 0.2° | 0.1° |
| H2B | C2B | C16 | H16 | 0.1° | 0.1° |
