XC2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S6 | C5 | sing | 1.82Å | 1.80Å | |
| S6 | C6 | sing | 1.74Å | 1.80Å | |
| C5 | C11 | sing | 1.52Å | 1.54Å | |
| C5 | H5C1 | sing | 1.09Å | 1.12Å | |
| C5 | H5C2 | sing | 1.10Å | 1.11Å | |
| C11 | N10 | sing | 1.46Å | 1.48Å | |
| C11 | H11 | sing | 1.10Å | 1.11Å | |
| C11 | C23 | sing | 1.50Å | 1.55Å | |
| N10 | C6 | sing | 1.38Å | 1.33Å | Aromatic |
| N10 | C10 | sing | 1.39Å | 1.33Å | Aromatic |
| C6 | C7 | doub | 1.35Å | 1.36Å | Aromatic |
| C7 | C8 | sing | 1.48Å | 1.53Å | Aromatic |
| C7 | C22 | sing | 1.49Å | 1.54Å | |
| C8 | C9 | doub | 1.35Å | 1.38Å | Aromatic |
| C8 | C24 | sing | 1.51Å | 1.54Å | |
| C9 | C10 | sing | 1.51Å | 1.50Å | Aromatic |
| C9 | C26 | sing | 1.51Å | 1.52Å | |
| C10 | O25 | doub | 1.23Å | 1.23Å | |
| C26 | N5 | sing | 1.46Å | 1.48Å | |
| C26 | H261 | sing | 1.09Å | 1.12Å | |
| C26 | H262 | sing | 1.09Å | 1.11Å | |
| N5 | C1 | sing | 1.47Å | 1.48Å | |
| N5 | C4 | sing | 1.47Å | 1.49Å | |
| C1 | C2 | sing | 1.53Å | 1.56Å | |
| C1 | H1C1 | sing | 1.10Å | 1.12Å | |
| C1 | H1C2 | sing | 1.10Å | 1.11Å | |
| C2 | O3 | sing | 1.43Å | 1.45Å | |
| C2 | H2C1 | sing | 1.10Å | 1.11Å | |
| C2 | H2C2 | sing | 1.09Å | 1.11Å | |
| O3 | C34 | sing | 1.43Å | 1.44Å | |
| C34 | C4 | sing | 1.53Å | 1.58Å | |
| C34 | H341 | sing | 1.10Å | 1.12Å | |
| C34 | H342 | sing | 1.10Å | 1.11Å | |
| C4 | H4C1 | sing | 1.10Å | 1.12Å | |
| C4 | H4C2 | sing | 1.10Å | 1.11Å | |
| C24 | C15 | sing | 1.50Å | 1.57Å | |
| C24 | H241 | sing | 1.09Å | 1.12Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C15 | C20 | sing | 1.39Å | 1.44Å | Aromatic |
| C15 | C16 | doub | 1.40Å | 1.45Å | Aromatic |
| C20 | C19 | doub | 1.39Å | 1.41Å | Aromatic |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | C18 | sing | 1.40Å | 1.42Å | Aromatic |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | C17 | doub | 1.40Å | 1.42Å | Aromatic |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | C21 | sing | 1.40Å | 1.43Å | Aromatic |
| C17 | C16 | sing | 1.42Å | 1.45Å | Aromatic |
| C21 | C27 | doub | 1.40Å | 1.43Å | Aromatic |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | sing | 1.39Å | 1.42Å | Aromatic |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | C29 | doub | 1.40Å | 1.43Å | Aromatic |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | C16 | sing | 1.40Å | 1.44Å | Aromatic |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | C31 | sing | 1.48Å | 1.55Å | |
| C22 | C30 | sing | 1.48Å | 1.51Å | |
| C22 | H22 | sing | 1.07Å | 1.11Å | |
| C31 | C30 | sing | 1.50Å | 1.57Å | |
| C31 | H311 | sing | 1.08Å | 1.12Å | |
| C31 | H312 | sing | 1.08Å | 1.12Å | |
| C30 | H301 | sing | 1.08Å | 1.11Å | |
| C30 | H302 | sing | 1.08Å | 1.12Å | |
| C23 | O33 | sing | 1.36Å | 1.33Å | |
| C23 | O32 | doub | 1.22Å | 1.22Å | |
| O33 | H33 | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | S6 | C6 | 89.7° | 93.0° |
| S6 | C5 | C11 | 104.2° | 104.4° |
| S6 | C5 | H5C1 | 114.2° | 111.2° |
| S6 | C5 | H5C2 | 114.2° | 107.9° |
| S6 | C6 | N10 | 111.4° | 111.6° |
| S6 | C6 | C7 | 125.5° | 125.9° |
| C11 | C5 | H5C1 | 114.2° | 113.6° |
| C11 | C5 | H5C2 | 114.2° | 110.5° |
| C5 | C11 | N10 | 105.6° | 108.8° |
| C5 | C11 | H11 | 112.2° | 111.7° |
| C5 | C11 | C23 | 109.6° | 111.7° |
| H5C1 | C5 | H5C2 | 96.3° | 109.0° |
| N10 | C11 | H11 | 111.6° | 110.2° |
| N10 | C11 | C23 | 110.1° | 106.9° |
| C11 | N10 | C6 | 115.4° | 114.6° |
| C11 | N10 | C10 | 120.9° | 122.0° |
| H11 | C11 | C23 | 107.8° | 107.5° |
| C11 | C23 | O33 | 116.6° | 110.6° |
| C11 | C23 | O32 | 122.1° | 125.1° |
| C6 | N10 | C10 | 123.7° | 123.4° |
| N10 | C6 | C7 | 123.1° | 122.5° |
| N10 | C10 | C9 | 119.7° | 115.7° |
| N10 | C10 | O25 | 122.6° | 123.9° |
| C6 | C7 | C8 | 117.1° | 117.6° |
| C6 | C7 | C22 | 127.2° | 124.7° |
| C8 | C7 | C22 | 115.6° | 117.6° |
| C7 | C8 | C9 | 118.7° | 121.0° |
| C7 | C8 | C24 | 120.3° | 116.9° |
| C7 | C22 | C31 | 111.5° | 117.5° |
| C7 | C22 | C30 | 129.5° | 117.5° |
| C7 | C22 | H22 | 89.9° | 112.5° |
| C9 | C8 | C24 | 121.0° | 122.0° |
| C8 | C9 | C10 | 117.6° | 119.7° |
| C8 | C9 | C26 | 122.6° | 125.8° |
| C8 | C24 | C15 | 114.5° | 111.9° |
| C8 | C24 | H241 | 110.4° | 108.3° |
| C8 | C24 | H242 | 110.4° | 108.1° |
| C10 | C9 | C26 | 119.8° | 114.5° |
| C9 | C10 | O25 | 117.6° | 120.4° |
| C9 | C26 | N5 | 110.8° | 107.2° |
| C9 | C26 | H261 | 111.7° | 108.3° |
| C9 | C26 | H262 | 111.8° | 108.3° |
| N5 | C26 | H261 | 111.7° | 111.2° |
| N5 | C26 | H262 | 111.7° | 111.2° |
| C26 | N5 | C1 | 109.2° | 110.8° |
| C26 | N5 | C4 | 110.0° | 110.9° |
| H261 | C26 | H262 | 98.7° | 110.5° |
| C1 | N5 | C4 | 110.8° | 110.0° |
| N5 | C1 | C2 | 109.3° | 109.9° |
| N5 | C1 | H1C1 | 112.3° | 110.1° |
| N5 | C1 | H1C2 | 112.3° | 110.2° |
| N5 | C4 | C34 | 108.4° | 109.9° |
| N5 | C4 | H4C1 | 112.6° | 110.1° |
| N5 | C4 | H4C2 | 112.6° | 110.1° |
| C2 | C1 | H1C1 | 112.3° | 109.5° |
| C2 | C1 | H1C2 | 112.3° | 109.1° |
| C1 | C2 | O3 | 110.3° | 110.3° |
| C1 | C2 | H2C1 | 111.9° | 111.7° |
| C1 | C2 | H2C2 | 111.9° | 109.9° |
| H1C1 | C1 | H1C2 | 98.1° | 108.0° |
| O3 | C2 | H2C1 | 111.9° | 109.5° |
| O3 | C2 | H2C2 | 111.9° | 107.7° |
| C2 | O3 | C34 | 112.8° | 110.8° |
| H2C1 | C2 | H2C2 | 98.5° | 107.6° |
| O3 | C34 | C4 | 109.0° | 110.4° |
| O3 | C34 | H341 | 112.4° | 107.7° |
| O3 | C34 | H342 | 112.4° | 109.5° |
| C4 | C34 | H341 | 112.4° | 109.9° |
| C4 | C34 | H342 | 112.4° | 111.7° |
| C34 | C4 | H4C1 | 112.6° | 109.1° |
| C34 | C4 | H4C2 | 112.6° | 109.6° |
| H341 | C34 | H342 | 98.0° | 107.6° |
| H4C1 | C4 | H4C2 | 97.8° | 108.0° |
| C15 | C24 | H241 | 110.4° | 110.4° |
| C15 | C24 | H242 | 110.4° | 111.0° |
| C24 | C15 | C20 | 121.1° | 117.3° |
| C24 | C15 | C16 | 120.3° | 121.9° |
| H241 | C24 | H242 | 99.9° | 106.8° |
| C20 | C15 | C16 | 118.6° | 120.8° |
| C15 | C20 | C19 | 121.4° | 120.0° |
| C15 | C20 | H20 | 120.3° | 120.7° |
| C15 | C16 | C17 | 119.6° | 119.2° |
| C15 | C16 | C29 | 121.7° | 121.5° |
| C19 | C20 | H20 | 118.4° | 119.4° |
| C20 | C19 | C18 | 120.0° | 120.0° |
| C20 | C19 | H19 | 119.7° | 120.0° |
| C18 | C19 | H19 | 120.3° | 120.0° |
| C19 | C18 | C17 | 120.4° | 120.7° |
| C19 | C18 | H18 | 119.7° | 118.7° |
| C17 | C18 | H18 | 119.9° | 120.6° |
| C18 | C17 | C21 | 120.0° | 121.4° |
| C18 | C17 | C16 | 120.0° | 119.3° |
| C21 | C17 | C16 | 119.9° | 119.3° |
| C17 | C21 | C27 | 120.5° | 120.6° |
| C17 | C21 | H21 | 119.8° | 120.5° |
| C17 | C16 | C29 | 118.8° | 119.3° |
| C27 | C21 | H21 | 119.8° | 118.8° |
| C21 | C27 | C28 | 120.3° | 120.1° |
| C21 | C27 | H27 | 120.1° | 119.9° |
| C28 | C27 | H27 | 119.6° | 120.0° |
| C27 | C28 | C29 | 119.9° | 120.0° |
| C27 | C28 | H28 | 119.8° | 120.0° |
| C29 | C28 | H28 | 120.3° | 120.0° |
| C28 | C29 | C16 | 120.6° | 120.7° |
| C28 | C29 | H29 | 119.2° | 117.8° |
| C16 | C29 | H29 | 120.2° | 121.5° |
| C31 | C22 | C30 | 61.6° | 60.8° |
| C31 | C22 | H22 | 142.6° | 119.7° |
| C22 | C31 | C30 | 58.0° | 59.6° |
| C22 | C31 | H311 | 136.2° | 116.6° |
| C22 | C31 | H312 | 136.2° | 120.5° |
| C30 | C22 | H22 | 127.0° | 119.7° |
| C22 | C30 | C31 | 60.4° | 59.6° |
| C22 | C30 | H301 | 134.7° | 120.5° |
| C22 | C30 | H302 | 134.7° | 116.8° |
| C30 | C31 | H311 | 136.2° | 117.6° |
| C30 | C31 | H312 | 136.2° | 117.6° |
| C31 | C30 | H301 | 134.7° | 117.6° |
| C31 | C30 | H302 | 134.8° | 117.8° |
| H311 | C31 | H312 | 68.8° | 114.3° |
| H301 | C30 | H302 | 70.9° | 114.1° |
| O33 | C23 | O32 | 121.3° | 124.3° |
| C23 | O33 | H33 | 116.6° | 111.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S6 | C5 | C11 | H5C1 | 125.3° | 121.3° |
| S6 | C5 | C11 | H5C2 | 125.3° | 115.8° |
| S6 | C5 | H5C1 | H5C2 | 120.1° | 118.9° |
| S6 | C5 | C11 | N10 | 36.9° | 28.0° |
| S6 | C5 | C11 | H11 | 158.7° | 149.8° |
| S6 | C5 | C11 | C23 | 81.7° | 89.8° |
| C5 | S6 | C6 | N10 | 19.8° | 13.2° |
| C5 | S6 | C6 | C7 | 161.1° | 165.8° |
| C6 | S6 | C5 | C11 | 32.0° | 23.5° |
| C6 | S6 | C5 | H5C1 | 157.3° | 146.3° |
| C6 | S6 | C5 | H5C2 | 93.2° | 94.1° |
| S6 | C6 | N10 | C11 | 0.3° | 2.3° |
| S6 | C6 | N10 | C7 | 179.1° | 179.1° |
| S6 | C6 | N10 | C10 | 179.4° | 177.8° |
| S6 | C6 | C7 | C8 | 179.5° | 177.4° |
| S6 | C6 | C7 | C22 | 0.8° | 1.9° |
| C11 | C5 | H5C1 | H5C2 | 120.1° | 123.7° |
| C5 | C11 | N10 | H11 | 122.1° | 122.8° |
| C5 | C11 | N10 | C23 | 118.2° | 120.8° |
| C5 | C11 | H11 | C23 | 120.7° | 122.8° |
| C5 | C11 | N10 | C6 | 24.9° | 20.7° |
| C5 | C11 | N10 | C10 | 154.9° | 159.4° |
| C5 | C11 | C23 | O33 | 64.6° | 92.7° |
| C5 | C11 | C23 | O32 | 115.6° | 87.2° |
| H5C1 | C5 | C11 | N10 | 162.2° | 149.3° |
| H5C1 | C5 | C11 | H11 | 76.1° | 88.9° |
| H5C1 | C5 | C11 | C23 | 43.6° | 31.5° |
| H5C2 | C5 | C11 | N10 | 88.3° | 87.9° |
| H5C2 | C5 | C11 | H11 | 33.4° | 34.0° |
| H5C2 | C5 | C11 | C23 | 153.1° | 154.4° |
| N10 | C11 | H11 | C23 | 121.0° | 116.1° |
| C11 | N10 | C6 | C10 | 179.7° | 179.9° |
| C11 | N10 | C6 | C7 | 178.8° | 178.6° |
| C11 | N10 | C10 | C9 | 179.6° | 178.7° |
| C11 | N10 | C10 | O25 | 0.4° | 1.3° |
| N10 | C11 | C23 | O33 | 179.6° | 148.4° |
| N10 | C11 | C23 | O32 | 0.1° | 31.7° |
| H11 | C11 | N10 | C6 | 147.0° | 143.4° |
| H11 | C11 | N10 | C10 | 32.8° | 36.7° |
| H11 | C11 | C23 | O33 | 57.7° | 30.1° |
| H11 | C11 | C23 | O32 | 122.1° | 150.0° |
| C23 | C11 | N10 | C6 | 93.3° | 100.1° |
| C23 | C11 | N10 | C10 | 86.9° | 79.8° |
| C11 | C23 | O33 | O32 | 179.8° | 179.9° |
| C11 | C23 | O33 | H33 | 180.0° | 179.9° |
| N10 | C6 | C7 | C8 | 1.5° | 1.6° |
| N10 | C6 | C7 | C22 | 179.8° | 179.1° |
| C6 | N10 | C10 | C9 | 0.7° | 1.2° |
| C6 | N10 | C10 | O25 | 179.4° | 178.7° |
| C10 | N10 | C6 | C7 | 1.5° | 1.3° |
| N10 | C10 | C9 | C8 | 0.2° | 1.7° |
| N10 | C10 | C9 | O25 | 179.9° | 180.0° |
| N10 | C10 | C9 | C26 | 179.9° | 177.5° |
| C6 | C7 | C8 | C22 | 178.8° | 179.4° |
| C6 | C7 | C8 | C9 | 1.0° | 2.0° |
| C6 | C7 | C8 | C24 | 180.0° | 176.5° |
| C6 | C7 | C22 | C31 | 72.4° | 55.9° |
| C6 | C7 | C22 | C30 | 2.2° | 125.5° |
| C6 | C7 | C22 | H22 | 138.9° | 89.3° |
| C7 | C8 | C9 | C24 | 179.0° | 178.4° |
| C7 | C8 | C9 | C10 | 0.4° | 2.1° |
| C7 | C8 | C9 | C26 | 179.9° | 177.0° |
| C7 | C8 | C24 | C15 | 86.8° | 75.0° |
| C7 | C8 | C24 | H241 | 38.4° | 47.0° |
| C7 | C8 | C24 | H242 | 147.9° | 162.4° |
| C8 | C7 | C22 | C31 | 108.9° | 124.7° |
| C8 | C7 | C22 | C30 | 179.2° | 55.1° |
| C8 | C7 | C22 | H22 | 39.7° | 90.0° |
| C22 | C7 | C8 | C9 | 179.8° | 178.6° |
| C22 | C7 | C8 | C24 | 1.2° | 2.9° |
| C7 | C22 | C31 | C30 | 124.4° | 107.8° |
| C7 | C22 | C31 | H22 | 120.9° | 142.7° |
| C7 | C22 | C30 | H22 | 128.2° | 142.6° |
| C7 | C22 | C31 | H311 | 0.9° | 144.3° |
| C7 | C22 | C31 | H312 | 110.3° | 1.7° |
| C7 | C22 | C30 | H301 | 139.3° | 1.7° |
| C7 | C22 | C30 | H302 | 29.9° | 144.2° |
| C8 | C9 | C10 | C26 | 179.7° | 179.2° |
| C8 | C9 | C10 | O25 | 179.9° | 178.3° |
| C8 | C9 | C26 | N5 | 69.4° | 135.0° |
| C8 | C9 | C26 | H261 | 55.9° | 105.0° |
| C8 | C9 | C26 | H262 | 165.4° | 14.9° |
| C9 | C8 | C24 | C15 | 94.2° | 103.5° |
| C9 | C8 | C24 | H241 | 140.5° | 134.5° |
| C9 | C8 | C24 | H242 | 31.1° | 19.1° |
| C24 | C8 | C9 | C10 | 179.3° | 176.3° |
| C24 | C8 | C9 | C26 | 1.0° | 4.5° |
| C8 | C24 | C15 | H241 | 125.2° | 120.8° |
| C8 | C24 | C15 | H242 | 125.3° | 120.9° |
| C8 | C24 | H241 | H242 | 116.2° | 116.3° |
| C8 | C24 | C15 | C20 | 9.0° | 30.0° |
| C8 | C24 | C15 | C16 | 171.3° | 150.0° |
| C10 | C9 | C26 | N5 | 110.3° | 44.2° |
| C10 | C9 | C26 | H261 | 124.4° | 75.8° |
| C10 | C9 | C26 | H262 | 14.9° | 164.3° |
| C26 | C9 | C10 | O25 | 0.1° | 2.5° |
| C9 | C26 | N5 | H261 | 125.2° | 118.2° |
| C9 | C26 | N5 | H262 | 125.3° | 118.2° |
| C9 | C26 | H261 | H262 | 117.7° | 118.5° |
| C9 | C26 | N5 | C1 | 154.9° | 60.0° |
| C9 | C26 | N5 | C4 | 83.3° | 177.6° |
| N5 | C26 | H261 | H262 | 117.6° | 123.9° |
| C26 | N5 | C1 | C4 | 121.3° | 122.9° |
| C26 | N5 | C1 | C2 | 179.4° | 179.6° |
| C26 | N5 | C1 | H1C1 | 55.3° | 58.9° |
| C26 | N5 | C1 | H1C2 | 54.2° | 60.2° |
| C26 | N5 | C4 | C34 | 179.7° | 179.5° |
| C26 | N5 | C4 | H4C1 | 55.0° | 60.3° |
| C26 | N5 | C4 | H4C2 | 54.4° | 58.7° |
| H261 | C26 | N5 | C1 | 29.7° | 178.1° |
| H261 | C26 | N5 | C4 | 151.5° | 59.4° |
| H262 | C26 | N5 | C1 | 79.8° | 58.2° |
| H262 | C26 | N5 | C4 | 42.0° | 64.2° |
| N5 | C1 | C2 | H1C1 | 125.3° | 121.0° |
| N5 | C1 | C2 | H1C2 | 125.3° | 120.9° |
| N5 | C1 | H1C1 | H1C2 | 118.2° | 120.4° |
| N5 | C1 | C2 | O3 | 56.0° | 58.0° |
| N5 | C1 | C2 | H2C1 | 69.3° | 64.0° |
| N5 | C1 | C2 | H2C2 | 178.7° | 176.6° |
| C1 | N5 | C4 | C34 | 59.4° | 56.6° |
| C1 | N5 | C4 | H4C1 | 65.8° | 176.8° |
| C1 | N5 | C4 | H4C2 | 175.3° | 64.2° |
| C4 | N5 | C1 | C2 | 58.1° | 56.6° |
| C4 | N5 | C1 | H1C1 | 176.6° | 64.1° |
| C4 | N5 | C1 | H1C2 | 67.2° | 176.9° |
| N5 | C4 | C34 | O3 | 58.8° | 58.0° |
| N5 | C4 | C34 | H4C1 | 125.3° | 120.8° |
| N5 | C4 | C34 | H4C2 | 125.3° | 121.1° |
| N5 | C4 | C34 | H341 | 175.9° | 176.6° |
| N5 | C4 | C34 | H342 | 66.4° | 64.1° |
| N5 | C4 | H4C1 | H4C2 | 118.5° | 120.3° |
| C2 | C1 | H1C1 | H1C2 | 118.2° | 118.7° |
| C1 | C2 | O3 | H2C1 | 125.3° | 123.3° |
| C1 | C2 | O3 | H2C2 | 125.3° | 120.0° |
| C1 | C2 | H2C1 | H2C2 | 117.8° | 120.7° |
| C1 | C2 | O3 | C34 | 58.6° | 59.8° |
| H1C1 | C1 | C2 | O3 | 178.7° | 63.0° |
| H1C1 | C1 | C2 | H2C1 | 56.0° | 175.0° |
| H1C1 | C1 | C2 | H2C2 | 53.4° | 55.6° |
| H1C2 | C1 | C2 | O3 | 69.2° | 178.9° |
| H1C2 | C1 | C2 | H2C1 | 165.5° | 56.9° |
| H1C2 | C1 | C2 | H2C2 | 56.0° | 62.5° |
| O3 | C2 | H2C1 | H2C2 | 117.8° | 116.8° |
| C2 | O3 | C34 | C4 | 59.7° | 59.8° |
| C2 | O3 | C34 | H341 | 175.0° | 179.7° |
| C2 | O3 | C34 | H342 | 65.6° | 63.6° |
| H2C1 | C2 | O3 | C34 | 66.7° | 63.5° |
| H2C2 | C2 | O3 | C34 | 176.1° | 179.7° |
| O3 | C34 | C4 | H341 | 125.3° | 118.6° |
| O3 | C34 | C4 | H342 | 125.3° | 122.1° |
| O3 | C34 | H341 | H342 | 118.3° | 118.0° |
| O3 | C34 | C4 | H4C1 | 66.5° | 178.8° |
| O3 | C34 | C4 | H4C2 | 175.9° | 63.2° |
| C4 | C34 | H341 | H342 | 118.3° | 121.8° |
| C34 | C4 | H4C1 | H4C2 | 118.5° | 119.1° |
| H341 | C34 | C4 | H4C1 | 58.8° | 62.6° |
| H341 | C34 | C4 | H4C2 | 50.6° | 55.4° |
| H342 | C34 | C4 | H4C1 | 168.3° | 56.7° |
| H342 | C34 | C4 | H4C2 | 58.8° | 174.8° |
| C15 | C24 | H241 | H242 | 116.2° | 120.8° |
| C24 | C15 | C20 | C16 | 179.7° | 179.9° |
| C24 | C15 | C20 | C19 | 179.8° | 180.0° |
| C24 | C15 | C20 | H20 | 0.2° | 0.1° |
| C24 | C15 | C16 | C17 | 179.8° | 180.0° |
| C24 | C15 | C16 | C29 | 0.5° | 0.0° |
| H241 | C24 | C15 | C20 | 116.3° | 150.8° |
| H241 | C24 | C15 | C16 | 63.5° | 29.3° |
| H242 | C24 | C15 | C20 | 134.2° | 90.9° |
| H242 | C24 | C15 | C16 | 46.0° | 89.0° |
| C15 | C20 | C19 | H20 | 180.0° | 179.9° |
| C15 | C20 | C19 | C18 | 0.1° | 0.0° |
| C15 | C20 | C19 | H19 | 179.9° | 179.9° |
| C20 | C15 | C16 | C17 | 0.1° | 0.0° |
| C20 | C15 | C16 | C29 | 179.8° | 180.0° |
| C16 | C15 | C20 | C19 | 0.1° | 0.0° |
| C16 | C15 | C20 | H20 | 179.9° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C15 | C16 | C17 | C21 | 179.9° | 180.0° |
| C15 | C16 | C17 | C29 | 179.7° | 180.0° |
| C15 | C16 | C29 | C28 | 180.0° | 180.0° |
| C15 | C16 | C29 | H29 | 0.1° | 0.0° |
| C20 | C19 | C18 | H19 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 0.1° | 0.0° |
| C20 | C19 | C18 | H18 | 179.8° | 180.0° |
| H20 | C20 | C19 | C18 | 179.9° | 179.9° |
| H20 | C20 | C19 | H19 | 0.1° | 0.0° |
| C19 | C18 | C17 | H18 | 180.0° | 180.0° |
| C19 | C18 | C17 | C21 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 0.2° | 0.0° |
| H19 | C19 | C18 | C17 | 179.8° | 179.9° |
| H19 | C19 | C18 | H18 | 0.2° | 0.1° |
| C18 | C17 | C21 | C16 | 179.8° | 179.9° |
| C18 | C17 | C21 | C27 | 179.9° | 180.0° |
| C18 | C17 | C21 | H21 | 0.1° | 0.0° |
| C18 | C17 | C16 | C29 | 179.8° | NaN° |
| H18 | C18 | C17 | C21 | 0.0° | 0.1° |
| H18 | C18 | C17 | C16 | 179.8° | 180.0° |
| C17 | C21 | C27 | H21 | 180.0° | 179.9° |
| C17 | C21 | C27 | C28 | 0.2° | 0.1° |
| C17 | C21 | C27 | H27 | 179.8° | 180.0° |
| C21 | C17 | C16 | C29 | 0.3° | 0.1° |
| C16 | C17 | C21 | C27 | 0.3° | 0.1° |
| C16 | C17 | C21 | H21 | 179.7° | 180.0° |
| C17 | C16 | C29 | C28 | 0.3° | 0.0° |
| C17 | C16 | C29 | H29 | 179.8° | 179.9° |
| C21 | C27 | C28 | H27 | 180.0° | 179.9° |
| C21 | C27 | C28 | C29 | 0.1° | 0.1° |
| C21 | C27 | C28 | H28 | 179.9° | 179.9° |
| H21 | C21 | C27 | C28 | 179.8° | 180.0° |
| H21 | C21 | C27 | H27 | 0.2° | 0.1° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C16 | 0.1° | 0.0° |
| C27 | C28 | C29 | H29 | 179.9° | 179.9° |
| H27 | C27 | C28 | C29 | 179.9° | 179.9° |
| H27 | C27 | C28 | H28 | 0.1° | 0.1° |
| C28 | C29 | C16 | H29 | 180.0° | 180.0° |
| H28 | C28 | C29 | C16 | 179.9° | 180.0° |
| H28 | C28 | C29 | H29 | 0.1° | 0.0° |
| C31 | C22 | C30 | H22 | 136.4° | 109.6° |
| C22 | C31 | C30 | H311 | 125.3° | 106.2° |
| C22 | C31 | C30 | H312 | 125.3° | 110.9° |
| C22 | C31 | H311 | H312 | 135.6° | 148.1° |
| C31 | C22 | C30 | H301 | 125.3° | 106.1° |
| C31 | C22 | C30 | H302 | 125.3° | 108.0° |
| C22 | C30 | H301 | H302 | 134.9° | 146.7° |
| H22 | C22 | C31 | H311 | 120.0° | 1.7° |
| H22 | C22 | C31 | H312 | 10.6° | 144.3° |
| H22 | C22 | C30 | H301 | 11.1° | 144.3° |
| H22 | C22 | C30 | H302 | 98.3° | 1.6° |
| C30 | C31 | H311 | H312 | 135.6° | 144.1° |
| C31 | C30 | H301 | H302 | 134.9° | 144.1° |
| H311 | C31 | C30 | H301 | 109.5° | 142.9° |
| H311 | C31 | C30 | H302 | 0.0° | 0.1° |
| H312 | C31 | C30 | H301 | 0.0° | 0.0° |
| H312 | C31 | C30 | H302 | 109.5° | 142.8° |
| O32 | C23 | O33 | H33 | 0.3° | 0.0° |
