698
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O24 | C22 | doub | 1.22Å | 1.20Å | |
| C22 | O1 | sing | 1.36Å | 1.24Å | |
| C22 | C15 | sing | 1.50Å | 1.54Å | |
| O1 | H1 | sing | 0.98Å | 0.95Å | |
| C15 | H15 | sing | 1.10Å | 1.11Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | H14 | sing | 1.10Å | 1.12Å | |
| C14 | C20 | sing | 1.52Å | 1.54Å | |
| C14 | N12 | sing | 1.48Å | 1.48Å | |
| C20 | N1 | doub | 1.31Å | 1.36Å | Aromatic |
| C20 | S1 | sing | 1.71Å | 1.70Å | Aromatic |
| N1 | C28 | sing | 1.38Å | 1.35Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C27 | S1 | sing | 1.71Å | 1.69Å | Aromatic |
| C16 | H161 | sing | 1.10Å | 1.12Å | |
| C16 | H162 | sing | 1.10Å | 1.11Å | |
| C16 | C17 | sing | 1.55Å | 1.54Å | |
| C17 | C33 | sing | 1.53Å | 1.56Å | |
| C17 | C34 | sing | 1.50Å | 1.57Å | |
| C17 | N12 | sing | 1.48Å | 1.49Å | |
| C33 | H331 | sing | 1.10Å | 1.11Å | |
| C33 | H332 | sing | 1.10Å | 1.11Å | |
| C33 | C37 | sing | 1.54Å | 1.56Å | |
| C37 | H37 | sing | 1.10Å | 1.12Å | |
| C37 | C40 | sing | 1.53Å | 1.54Å | |
| C37 | C44 | sing | 1.53Å | 1.54Å | |
| C40 | H401 | sing | 1.10Å | 1.12Å | |
| C40 | H402 | sing | 1.09Å | 1.11Å | |
| C40 | H403 | sing | 1.10Å | 1.11Å | |
| C44 | H441 | sing | 1.10Å | 1.11Å | |
| C44 | H442 | sing | 1.10Å | 1.11Å | |
| C44 | H443 | sing | 1.10Å | 1.11Å | |
| C34 | O35 | doub | 1.22Å | 1.20Å | |
| C34 | O36 | sing | 1.36Å | 1.22Å | |
| O36 | H36 | sing | 0.98Å | 0.95Å | |
| N12 | C11 | sing | 1.40Å | 1.37Å | |
| C11 | O13 | doub | 1.23Å | 1.22Å | |
| C11 | C5 | sing | 1.47Å | 1.47Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | HA | sing | 1.09Å | 1.10Å | |
| C2 | C51 | sing | 1.49Å | 1.54Å | |
| C51 | C9 | sing | 1.56Å | 1.56Å | |
| C51 | C8 | sing | 1.56Å | 1.54Å | |
| C51 | C7 | sing | 1.57Å | 1.54Å | |
| C9 | H9C1 | sing | 1.10Å | 1.11Å | |
| C9 | H9C2 | sing | 1.10Å | 1.12Å | |
| C9 | H9C3 | sing | 1.10Å | 1.11Å | |
| C8 | H8C1 | sing | 1.10Å | 1.11Å | |
| C8 | H8C2 | sing | 1.10Å | 1.11Å | |
| C8 | H8C3 | sing | 1.10Å | 1.11Å | |
| C7 | H7C3 | sing | 1.10Å | 1.11Å | |
| C7 | H7C1 | sing | 1.10Å | 1.11Å | |
| C7 | H7C2 | sing | 1.10Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O24 | C22 | O1 | 121.0° | 124.3° |
| O24 | C22 | C15 | 120.9° | 125.0° |
| O1 | C22 | C15 | 118.2° | 110.7° |
| C22 | O1 | H1 | 121.0° | 112.0° |
| C22 | C15 | H15 | 99.6° | 105.2° |
| C22 | C15 | C14 | 115.6° | 116.1° |
| C22 | C15 | C16 | 115.1° | 110.8° |
| H15 | C15 | C14 | 110.3° | 110.4° |
| H15 | C15 | C16 | 110.9° | 110.8° |
| C14 | C15 | C16 | 105.5° | 103.6° |
| C15 | C14 | H14 | 112.2° | 109.3° |
| C15 | C14 | C20 | 114.0° | 113.9° |
| C15 | C14 | N12 | 102.6° | 106.2° |
| C15 | C16 | H161 | 113.9° | 108.2° |
| C15 | C16 | H162 | 113.9° | 112.9° |
| C15 | C16 | C17 | 104.9° | 105.7° |
| H14 | C14 | C20 | 102.2° | 107.2° |
| H14 | C14 | N12 | 113.7° | 105.8° |
| C20 | C14 | N12 | 112.6° | 114.0° |
| C14 | C20 | N1 | 124.5° | 124.3° |
| C14 | C20 | S1 | 124.4° | 118.9° |
| C14 | N12 | C17 | 113.7° | 110.9° |
| C14 | N12 | C11 | 124.6° | 119.7° |
| N1 | C20 | S1 | 111.1° | 116.9° |
| C20 | N1 | C28 | 112.5° | 108.7° |
| C20 | S1 | C27 | 92.8° | 89.0° |
| N1 | C28 | H28 | 121.5° | 119.2° |
| N1 | C28 | C27 | 114.4° | 115.9° |
| H28 | C28 | C27 | 124.1° | 125.0° |
| C28 | C27 | H27 | 117.8° | 128.6° |
| C28 | C27 | S1 | 109.2° | 109.6° |
| H27 | C27 | S1 | 133.0° | 121.8° |
| H161 | C16 | H162 | 96.5° | 107.5° |
| H161 | C16 | C17 | 113.9° | 109.9° |
| H162 | C16 | C17 | 113.9° | 112.6° |
| C16 | C17 | C33 | 111.2° | 108.3° |
| C16 | C17 | C34 | 108.0° | 109.5° |
| C16 | C17 | N12 | 103.4° | 104.4° |
| C33 | C17 | C34 | 110.6° | 109.6° |
| C33 | C17 | N12 | 113.4° | 115.3° |
| C17 | C33 | H331 | 108.6° | 108.8° |
| C17 | C33 | H332 | 108.6° | 107.8° |
| C17 | C33 | C37 | 119.6° | 113.4° |
| C34 | C17 | N12 | 109.8° | 109.5° |
| C17 | C34 | O35 | 124.0° | 125.1° |
| C17 | C34 | O36 | 117.8° | 110.7° |
| C17 | N12 | C11 | 121.7° | 128.2° |
| H331 | C33 | H332 | 101.4° | 107.0° |
| H331 | C33 | C37 | 108.6° | 110.4° |
| H332 | C33 | C37 | 108.6° | 109.3° |
| C33 | C37 | H37 | 106.4° | 108.9° |
| C33 | C37 | C40 | 111.7° | 112.5° |
| C33 | C37 | C44 | 111.5° | 109.6° |
| H37 | C37 | C40 | 109.0° | 108.2° |
| H37 | C37 | C44 | 109.2° | 107.8° |
| C40 | C37 | C44 | 109.0° | 109.7° |
| C37 | C40 | H401 | 111.4° | 111.2° |
| C37 | C40 | H402 | 111.4° | 111.4° |
| C37 | C40 | H403 | 111.7° | 110.8° |
| C37 | C44 | H441 | 111.4° | 111.3° |
| C37 | C44 | H442 | 111.5° | 110.8° |
| C37 | C44 | H443 | 111.5° | 110.8° |
| H401 | C40 | H402 | 99.0° | 108.2° |
| H401 | C40 | H403 | 111.4° | 108.0° |
| H402 | C40 | H403 | 111.4° | 107.2° |
| H441 | C44 | H442 | 98.9° | 108.1° |
| H441 | C44 | H443 | 111.4° | 108.0° |
| H442 | C44 | H443 | 111.4° | 107.7° |
| O35 | C34 | O36 | 118.2° | 124.2° |
| C34 | O36 | H36 | 117.8° | 111.9° |
| N12 | C11 | O13 | 122.1° | 124.8° |
| N12 | C11 | C5 | 117.9° | 119.7° |
| O13 | C11 | C5 | 120.0° | 115.5° |
| C11 | C5 | C6 | 121.3° | 119.8° |
| C11 | C5 | C4 | 119.6° | 119.8° |
| C6 | C5 | C4 | 119.2° | 120.4° |
| C5 | C6 | C1 | 119.9° | 119.8° |
| C5 | C6 | H6 | 119.9° | 120.8° |
| C5 | C4 | C3 | 120.9° | 119.7° |
| C5 | C4 | H4 | 119.4° | 120.9° |
| C3 | C4 | H4 | 119.6° | 119.4° |
| C4 | C3 | C2 | 121.3° | 120.0° |
| C4 | C3 | H3 | 118.5° | 119.5° |
| C2 | C3 | H3 | 120.2° | 120.5° |
| C3 | C2 | C1 | 116.9° | 120.0° |
| C3 | C2 | C51 | 121.0° | 120.0° |
| C1 | C6 | H6 | 120.2° | 119.4° |
| C6 | C1 | C2 | 121.7° | 120.0° |
| C6 | C1 | HA | 118.9° | 119.4° |
| C2 | C1 | HA | 119.3° | 120.5° |
| C1 | C2 | C51 | 122.1° | 120.0° |
| C2 | C51 | C9 | 115.2° | 111.3° |
| C2 | C51 | C8 | 110.5° | 111.3° |
| C2 | C51 | C7 | 104.9° | 115.4° |
| C9 | C51 | C8 | 104.6° | 107.5° |
| C9 | C51 | C7 | 111.1° | 105.4° |
| C51 | C9 | H9C1 | 110.1° | 112.7° |
| C51 | C9 | H9C2 | 110.1° | 111.5° |
| C51 | C9 | H9C3 | 115.2° | 110.2° |
| C8 | C51 | C7 | 110.6° | 105.4° |
| C51 | C8 | H8C1 | 111.8° | 111.4° |
| C51 | C8 | H8C2 | 111.8° | 112.7° |
| C51 | C8 | H8C3 | 110.5° | 110.2° |
| C51 | C7 | H7C3 | 104.9° | 110.8° |
| C51 | C7 | H7C1 | 113.9° | 112.7° |
| C51 | C7 | H7C2 | 113.9° | 110.8° |
| H9C1 | C9 | H9C2 | 100.1° | 107.0° |
| H9C1 | C9 | H9C3 | 110.1° | 107.7° |
| H9C2 | C9 | H9C3 | 110.1° | 107.5° |
| H8C1 | C8 | H8C2 | 98.6° | 107.0° |
| H8C1 | C8 | H8C3 | 111.8° | 107.5° |
| H8C2 | C8 | H8C3 | 111.8° | 107.7° |
| H7C3 | C7 | H7C1 | 113.9° | 107.1° |
| H7C3 | C7 | H7C2 | 113.9° | 108.2° |
| H7C1 | C7 | H7C2 | 96.6° | 107.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O24 | C22 | O1 | C15 | 179.4° | 179.9° |
| O24 | C22 | O1 | H1 | 180.0° | 0.0° |
| O24 | C22 | C15 | H15 | 109.6° | 120.0° |
| O24 | C22 | C15 | C14 | 132.3° | 2.4° |
| O24 | C22 | C15 | C16 | 8.9° | 120.2° |
| O1 | C22 | C15 | H15 | 71.0° | 59.9° |
| O1 | C22 | C15 | C14 | 47.1° | 177.7° |
| O1 | C22 | C15 | C16 | 170.5° | 59.9° |
| C15 | C22 | O1 | H1 | 0.6° | 179.9° |
| C22 | C15 | H15 | C14 | 122.0° | 126.0° |
| C22 | C15 | H15 | C16 | 121.6° | 119.8° |
| C22 | C15 | C14 | C16 | 128.3° | 121.6° |
| C22 | C15 | C14 | H14 | 81.7° | 149.8° |
| C22 | C15 | C14 | C20 | 33.9° | 29.9° |
| C22 | C15 | C14 | N12 | 155.9° | 96.4° |
| C22 | C15 | C16 | H161 | 35.3° | 147.7° |
| C22 | C15 | C16 | H162 | 74.1° | 28.9° |
| C22 | C15 | C16 | C17 | 160.6° | 94.7° |
| H15 | C15 | C14 | C16 | 119.8° | 118.7° |
| H15 | C15 | C14 | H14 | 30.3° | 30.2° |
| H15 | C15 | C14 | C20 | 145.8° | 89.7° |
| H15 | C15 | C14 | N12 | 92.1° | 144.0° |
| H15 | C15 | C16 | H161 | 147.3° | 31.3° |
| H15 | C15 | C16 | H162 | 37.9° | 87.5° |
| H15 | C15 | C16 | C17 | 87.4° | 149.0° |
| C15 | C14 | H14 | C20 | 122.5° | 123.9° |
| C15 | C14 | H14 | N12 | 115.9° | 114.1° |
| C15 | C14 | C20 | N12 | 116.4° | 122.1° |
| C15 | C14 | C20 | N1 | 88.0° | 89.0° |
| C15 | C14 | C20 | S1 | 93.5° | 91.0° |
| C14 | C15 | C16 | H161 | 93.3° | 87.2° |
| C14 | C15 | C16 | H162 | 157.2° | 154.0° |
| C14 | C15 | C16 | C17 | 32.0° | 30.5° |
| C15 | C14 | N12 | C17 | 13.7° | 10.5° |
| C15 | C14 | N12 | C11 | 167.8° | 178.9° |
| C16 | C15 | C14 | H14 | 150.0° | 88.6° |
| C16 | C15 | C14 | C20 | 94.4° | 151.6° |
| C16 | C15 | C14 | N12 | 27.6° | 25.2° |
| C15 | C16 | H161 | H162 | 119.8° | 122.2° |
| C15 | C16 | H161 | C17 | 120.3° | 115.0° |
| C15 | C16 | H162 | C17 | 120.3° | 119.6° |
| C15 | C16 | C17 | C33 | 99.1° | 147.8° |
| C15 | C16 | C17 | C34 | 139.3° | 92.8° |
| C15 | C16 | C17 | N12 | 22.9° | 24.4° |
| H14 | C14 | C20 | N12 | 122.3° | 116.8° |
| H14 | C14 | C20 | N1 | 33.3° | 150.0° |
| H14 | C14 | C20 | S1 | 145.2° | 30.1° |
| H14 | C14 | N12 | C17 | 135.1° | 105.7° |
| H14 | C14 | N12 | C11 | 46.4° | 62.8° |
| C14 | C20 | N1 | S1 | 178.7° | 179.9° |
| C14 | C20 | N1 | C28 | 180.0° | 180.0° |
| C14 | C20 | S1 | C27 | 179.6° | 180.0° |
| C20 | C14 | N12 | C17 | 109.4° | 136.7° |
| C20 | C14 | N12 | C11 | 69.1° | 54.8° |
| N12 | C14 | C20 | N1 | 155.6° | 33.2° |
| N12 | C14 | C20 | S1 | 22.9° | 146.9° |
| C14 | N12 | C17 | C16 | 5.7° | 8.6° |
| C14 | N12 | C17 | C33 | 114.8° | 127.3° |
| C14 | N12 | C17 | C34 | 120.9° | 108.5° |
| C14 | N12 | C17 | C11 | 178.5° | 167.2° |
| C14 | N12 | C11 | O13 | 169.4° | 0.0° |
| C14 | N12 | C11 | C5 | 10.4° | 178.4° |
| C20 | N1 | C28 | H28 | 179.0° | 180.0° |
| C20 | N1 | C28 | C27 | 1.0° | 0.0° |
| N1 | C20 | S1 | C27 | 1.0° | 0.1° |
| S1 | C20 | N1 | C28 | 1.3° | 0.0° |
| C20 | S1 | C27 | C28 | 0.4° | 0.1° |
| C20 | S1 | C27 | H27 | 179.6° | 179.9° |
| N1 | C28 | H28 | C27 | 180.0° | 180.0° |
| N1 | C28 | C27 | H27 | 179.7° | 179.9° |
| N1 | C28 | C27 | S1 | 0.2° | 0.1° |
| H28 | C28 | C27 | H27 | 0.3° | 0.0° |
| H28 | C28 | C27 | S1 | 179.7° | 179.9° |
| C28 | C27 | H27 | S1 | 180.0° | 180.0° |
| H161 | C16 | H162 | C17 | 119.9° | 121.2° |
| H161 | C16 | C17 | C33 | 135.6° | 31.3° |
| H161 | C16 | C17 | C34 | 14.1° | 150.7° |
| H161 | C16 | C17 | N12 | 102.3° | 92.1° |
| H162 | C16 | C17 | C33 | 26.1° | 88.5° |
| H162 | C16 | C17 | C34 | 95.4° | 30.9° |
| H162 | C16 | C17 | N12 | 148.2° | 148.1° |
| C16 | C17 | C33 | C34 | 120.0° | 119.3° |
| C16 | C17 | C33 | N12 | 116.1° | 116.6° |
| C16 | C17 | C34 | N12 | 112.2° | 113.9° |
| C16 | C17 | C33 | H331 | 163.8° | 179.3° |
| C16 | C17 | C33 | H332 | 54.4° | 65.0° |
| C16 | C17 | C33 | C37 | 70.9° | 56.1° |
| C16 | C17 | C34 | O35 | 108.6° | 60.0° |
| C16 | C17 | C34 | O36 | 72.6° | 119.8° |
| C16 | C17 | N12 | C11 | 172.8° | 158.7° |
| C33 | C17 | C34 | N12 | 125.9° | 127.4° |
| C17 | C33 | H331 | H332 | 114.3° | 116.2° |
| C17 | C33 | H331 | C37 | 131.5° | 125.0° |
| C17 | C33 | H332 | C37 | 131.5° | 123.6° |
| C17 | C33 | C37 | H37 | 29.9° | 177.6° |
| C17 | C33 | C37 | C40 | 88.9° | 57.7° |
| C17 | C33 | C37 | C44 | 148.8° | 64.7° |
| C33 | C17 | C34 | O35 | 13.3° | 178.6° |
| C33 | C17 | C34 | O36 | 165.5° | 1.2° |
| C33 | C17 | N12 | C11 | 66.6° | 39.9° |
| C34 | C17 | C33 | H331 | 43.8° | 60.0° |
| C34 | C17 | C33 | H332 | 65.7° | 175.6° |
| C34 | C17 | C33 | C37 | 169.1° | 63.2° |
| C17 | C34 | O35 | O36 | 178.8° | 179.8° |
| C17 | C34 | O36 | H36 | 180.0° | 179.9° |
| C34 | C17 | N12 | C11 | 57.7° | 84.2° |
| N12 | C17 | C33 | H331 | 80.1° | 64.1° |
| N12 | C17 | C33 | H332 | 170.4° | 51.5° |
| N12 | C17 | C33 | C37 | 45.2° | 172.7° |
| N12 | C17 | C34 | O35 | 139.2° | 53.9° |
| N12 | C17 | C34 | O36 | 39.5° | 126.2° |
| C17 | N12 | C11 | O13 | 8.9° | 166.2° |
| C17 | N12 | C11 | C5 | 171.2° | 15.3° |
| H331 | C33 | H332 | C37 | 114.2° | 119.5° |
| H331 | C33 | C37 | H37 | 155.1° | 60.1° |
| H331 | C33 | C37 | C40 | 36.3° | 180.0° |
| H331 | C33 | C37 | C44 | 85.9° | 57.6° |
| H332 | C33 | C37 | H37 | 95.4° | 57.3° |
| H332 | C33 | C37 | C40 | 145.8° | 62.6° |
| H332 | C33 | C37 | C44 | 23.5° | 175.0° |
| C33 | C37 | H37 | C40 | 120.5° | 122.5° |
| C33 | C37 | H37 | C44 | 120.5° | 118.9° |
| C33 | C37 | C40 | C44 | 123.7° | 122.4° |
| C33 | C37 | C40 | H401 | 54.7° | 56.3° |
| C33 | C37 | C40 | H402 | 54.7° | 64.4° |
| C33 | C37 | C40 | H403 | 180.0° | 176.4° |
| C33 | C37 | C44 | H441 | 54.7° | 61.9° |
| C33 | C37 | C44 | H442 | 54.7° | 177.8° |
| C33 | C37 | C44 | H443 | 180.0° | 58.3° |
| H37 | C37 | C40 | C44 | 119.1° | 117.4° |
| H37 | C37 | C40 | H401 | 62.5° | 176.6° |
| H37 | C37 | C40 | H402 | 172.0° | 55.9° |
| H37 | C37 | C40 | H403 | 62.8° | 63.3° |
| H37 | C37 | C44 | H441 | 172.0° | 179.7° |
| H37 | C37 | C44 | H442 | 62.5° | 59.4° |
| H37 | C37 | C44 | H443 | 62.7° | 60.0° |
| C37 | C40 | H401 | H402 | 117.3° | 122.6° |
| C37 | C40 | H401 | H403 | 125.4° | 121.7° |
| C37 | C40 | H402 | H403 | 125.4° | 121.3° |
| C40 | C37 | C44 | H441 | 69.0° | 62.1° |
| C40 | C37 | C44 | H442 | 178.5° | 58.2° |
| C40 | C37 | C44 | H443 | 56.2° | 177.6° |
| C44 | C37 | C40 | H401 | 178.4° | 66.0° |
| C44 | C37 | C40 | H402 | 68.9° | 173.3° |
| C44 | C37 | C40 | H403 | 56.3° | 54.0° |
| C37 | C44 | H441 | H442 | 117.3° | 121.9° |
| C37 | C44 | H441 | H443 | 125.3° | 121.9° |
| C37 | C44 | H442 | H443 | 125.3° | 121.4° |
| H401 | C40 | H402 | H403 | 117.3° | 116.2° |
| H441 | C44 | H442 | H443 | 117.3° | 116.4° |
| O35 | C34 | O36 | H36 | 1.1° | 0.1° |
| N12 | C11 | O13 | C5 | 179.9° | 178.5° |
| N12 | C11 | C5 | C6 | 66.9° | 90.1° |
| N12 | C11 | C5 | C4 | 112.7° | 90.0° |
| O13 | C11 | C5 | C6 | 113.2° | 91.4° |
| O13 | C11 | C5 | C4 | 67.2° | 88.6° |
| C11 | C5 | C6 | C4 | 179.6° | 179.9° |
| C11 | C5 | C4 | C3 | 179.2° | 180.0° |
| C11 | C5 | C4 | H4 | 0.8° | 0.2° |
| C11 | C5 | C6 | C1 | 179.8° | 179.9° |
| C11 | C5 | C6 | H6 | 0.2° | 0.1° |
| C6 | C5 | C4 | C3 | 1.3° | 0.0° |
| C6 | C5 | C4 | H4 | 178.7° | 179.9° |
| C5 | C6 | C1 | H6 | 180.0° | 180.0° |
| C5 | C6 | C1 | C2 | 0.1° | 0.0° |
| C5 | C6 | C1 | HA | 179.9° | 180.0° |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 1.2° | 0.0° |
| C5 | C4 | C3 | H3 | 178.8° | 180.0° |
| C4 | C5 | C6 | C1 | 0.6° | 0.0° |
| C4 | C5 | C6 | H6 | 179.4° | 180.0° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.4° | 0.0° |
| C4 | C3 | C2 | C51 | 180.0° | 180.0° |
| H4 | C4 | C3 | C2 | 178.9° | 179.9° |
| H4 | C4 | C3 | H3 | 1.1° | 0.1° |
| C3 | C2 | C1 | C6 | 0.3° | 0.0° |
| C3 | C2 | C1 | C51 | 179.7° | 180.0° |
| C3 | C2 | C1 | HA | 179.7° | 180.0° |
| C3 | C2 | C51 | C9 | 68.9° | 60.0° |
| C3 | C2 | C51 | C8 | 172.8° | 59.9° |
| C3 | C2 | C51 | C7 | 53.5° | 179.9° |
| H3 | C3 | C2 | C1 | 179.6° | 180.0° |
| H3 | C3 | C2 | C51 | 0.0° | 0.0° |
| C6 | C1 | C2 | HA | 180.0° | 180.0° |
| C6 | C1 | C2 | C51 | 179.4° | 180.0° |
| H6 | C6 | C1 | C2 | 179.8° | 179.9° |
| H6 | C6 | C1 | HA | 0.1° | 0.1° |
| C1 | C2 | C51 | C9 | 111.4° | 120.0° |
| C1 | C2 | C51 | C8 | 6.9° | 120.1° |
| C1 | C2 | C51 | C7 | 126.1° | 0.1° |
| HA | C1 | C2 | C51 | 0.6° | 0.0° |
| C2 | C51 | C9 | C8 | 121.5° | 122.1° |
| C2 | C51 | C9 | C7 | 119.1° | 125.9° |
| C2 | C51 | C8 | C7 | 115.8° | 125.8° |
| C2 | C51 | C9 | H9C1 | 54.7° | 178.1° |
| C2 | C51 | C9 | H9C2 | 54.7° | 61.6° |
| C2 | C51 | C9 | H9C3 | 180.0° | 57.7° |
| C2 | C51 | C8 | H8C1 | 54.8° | 61.7° |
| C2 | C51 | C8 | H8C2 | 54.7° | 178.0° |
| C2 | C51 | C8 | H8C3 | 180.0° | 57.6° |
| C2 | C51 | C7 | H7C3 | 180.0° | 60.0° |
| C2 | C51 | C7 | H7C1 | 54.7° | 180.0° |
| C2 | C51 | C7 | H7C2 | 54.8° | 60.1° |
| C9 | C51 | C8 | C7 | 119.7° | 112.1° |
| C51 | C9 | H9C1 | H9C2 | 115.9° | 122.9° |
| C51 | C9 | H9C1 | H9C3 | 128.1° | 121.8° |
| C51 | C9 | H9C2 | H9C3 | 128.1° | 120.9° |
| C9 | C51 | C8 | H8C1 | 179.3° | 60.4° |
| C9 | C51 | C8 | H8C2 | 69.8° | 59.9° |
| C9 | C51 | C8 | H8C3 | 55.5° | 179.7° |
| C9 | C51 | C7 | H7C3 | 54.9° | 176.8° |
| C9 | C51 | C7 | H7C1 | 70.3° | 56.8° |
| C9 | C51 | C7 | H7C2 | 179.8° | 63.1° |
| C8 | C51 | C9 | H9C1 | 66.8° | 59.9° |
| C8 | C51 | C9 | H9C2 | 176.2° | 60.5° |
| C8 | C51 | C9 | H9C3 | 58.5° | 179.8° |
| C51 | C8 | H8C1 | H8C2 | 117.7° | 123.6° |
| C51 | C8 | H8C1 | H8C3 | 124.5° | 120.9° |
| C51 | C8 | H8C2 | H8C3 | 124.5° | 121.8° |
| C8 | C51 | C7 | H7C3 | 60.8° | 63.2° |
| C8 | C51 | C7 | H7C1 | 173.9° | 56.8° |
| C8 | C51 | C7 | H7C2 | 64.4° | 176.7° |
| C7 | C51 | C9 | H9C1 | 173.8° | 52.2° |
| C7 | C51 | C9 | H9C2 | 64.4° | 172.5° |
| C7 | C51 | C9 | H9C3 | 60.9° | 68.1° |
| C7 | C51 | C8 | H8C1 | 61.0° | 172.5° |
| C7 | C51 | C8 | H8C2 | 170.5° | 52.2° |
| C7 | C51 | C8 | H8C3 | 64.2° | 68.2° |
| C51 | C7 | H7C3 | H7C1 | 125.3° | 123.3° |
| C51 | C7 | H7C3 | H7C2 | 125.3° | 121.7° |
| C51 | C7 | H7C1 | H7C2 | 119.8° | 122.0° |
| H9C1 | C9 | H9C2 | H9C3 | 116.0° | 115.4° |
| H8C1 | C8 | H8C2 | H8C3 | 117.7° | 115.3° |
| H7C3 | C7 | H7C1 | H7C2 | 119.8° | 115.9° |
