YAU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C26 | sing | 1.74Å | 1.80Å | |
| C26 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.37Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| C28 | C23 | doub | 1.38Å | 1.37Å | Aromatic |
| C23 | C22 | sing | 1.51Å | 1.53Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | O3 | sing | 1.43Å | 1.44Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.51Å | 1.52Å | |
| C19 | O2 | doub | 1.21Å | 1.24Å | |
| C19 | N | sing | 1.35Å | 1.34Å | |
| N | C2 | sing | 1.47Å | 1.48Å | |
| N | C3 | sing | 1.47Å | 1.46Å | |
| C2 | C1 | sing | 1.54Å | 1.51Å | |
| C3 | C4 | sing | 1.55Å | 1.52Å | |
| C4 | C1 | sing | 1.55Å | 1.53Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C1 | C | sing | 1.53Å | 1.56Å | |
| C | O | sing | 1.43Å | 1.42Å | |
| C5 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.43Å | Aromatic |
| C18 | C9 | doub | 1.39Å | 1.45Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.36Å | Aromatic |
| C9 | N1 | sing | 1.40Å | 1.38Å | |
| C8 | CL | sing | 1.74Å | 1.81Å | |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.43Å | Aromatic |
| N1 | C10 | sing | 1.35Å | 1.38Å | |
| C10 | O1 | doub | 1.21Å | 1.24Å | |
| C10 | C11 | sing | 1.51Å | 1.54Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C12 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | F | sing | 1.35Å | 1.32Å | |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C | HC1 | sing | 1.09Å | 1.10Å | |
| C | HC2 | sing | 1.09Å | 1.10Å | |
| O | H | sing | 0.97Å | 0.95Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N1 | HA | sing | 0.97Å | 1.00Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C26 | C25 | 117.4° | 120.1° |
| CL1 | C26 | C27 | 122.3° | 120.0° |
| C25 | C26 | C27 | 120.1° | 119.9° |
| C26 | C25 | C24 | 119.8° | 120.0° |
| C26 | C25 | H25 | 120.1° | 120.0° |
| C26 | C27 | C28 | 119.7° | 120.0° |
| C26 | C27 | H27 | 120.1° | 120.0° |
| C25 | C24 | C23 | 120.4° | 120.0° |
| C24 | C25 | H25 | 120.1° | 120.0° |
| C25 | C24 | H24 | 119.8° | 120.0° |
| C24 | C23 | C28 | 120.7° | 120.0° |
| C24 | C23 | C22 | 116.1° | 120.0° |
| C23 | C24 | H24 | 119.8° | 120.0° |
| C27 | C28 | C23 | 119.2° | 120.0° |
| C28 | C27 | H27 | 120.1° | 120.0° |
| C27 | C28 | H28 | 120.4° | 120.1° |
| C28 | C23 | C22 | 123.2° | 120.0° |
| C23 | C28 | H28 | 120.4° | 119.9° |
| C23 | C22 | C21 | 112.3° | 109.5° |
| C23 | C22 | H221 | 108.8° | 109.5° |
| C23 | C22 | H222 | 108.8° | 109.5° |
| C22 | C21 | O3 | 105.9° | 109.4° |
| C22 | C21 | C20 | 114.4° | 109.5° |
| C21 | C22 | H221 | 108.8° | 109.5° |
| C21 | C22 | H222 | 108.8° | 109.4° |
| C22 | C21 | H21 | 108.3° | 109.5° |
| O3 | C21 | C20 | 110.3° | 109.4° |
| O3 | C21 | H21 | 109.5° | 109.5° |
| C21 | O3 | H3 | 109.5° | 114.0° |
| C21 | C20 | C19 | 110.1° | 109.5° |
| C20 | C21 | H21 | 108.3° | 109.5° |
| C21 | C20 | H201 | 109.3° | 109.5° |
| C21 | C20 | H202 | 109.3° | 109.5° |
| C20 | C19 | O2 | 118.4° | 120.0° |
| C20 | C19 | N | 121.0° | 120.0° |
| C19 | C20 | H201 | 109.3° | 109.5° |
| C19 | C20 | H202 | 109.3° | 109.4° |
| O2 | C19 | N | 120.5° | 120.0° |
| C19 | N | C2 | 124.3° | 125.6° |
| C19 | N | C3 | 123.1° | 125.7° |
| C2 | N | C3 | 112.4° | 108.7° |
| N | C2 | C1 | 102.8° | 107.3° |
| N | C2 | H21C | 111.1° | 109.9° |
| N | C2 | H22C | 111.1° | 109.9° |
| N | C3 | C4 | 103.9° | 104.8° |
| N | C3 | H31C | 110.9° | 110.4° |
| N | C3 | H32C | 110.9° | 110.4° |
| C2 | C1 | C4 | 105.3° | 102.9° |
| C2 | C1 | C | 111.5° | 110.7° |
| C1 | C2 | H21C | 111.1° | 109.9° |
| C1 | C2 | H22C | 111.1° | 109.9° |
| C2 | C1 | H1 | 109.3° | 110.7° |
| C3 | C4 | C1 | 102.8° | 101.5° |
| C3 | C4 | C5 | 111.3° | 111.0° |
| C4 | C3 | H31C | 110.8° | 110.4° |
| C4 | C3 | H32C | 110.8° | 110.4° |
| C3 | C4 | H4 | 110.2° | 111.0° |
| C1 | C4 | C5 | 111.9° | 111.0° |
| C4 | C1 | C | 113.0° | 110.8° |
| C4 | C1 | H1 | 109.0° | 110.6° |
| C1 | C4 | H4 | 110.1° | 111.1° |
| C4 | C5 | C18 | 124.8° | 120.0° |
| C4 | C5 | C6 | 115.3° | 119.9° |
| C5 | C4 | H4 | 110.4° | 110.9° |
| C1 | C | O | 108.3° | 109.5° |
| C | C1 | H1 | 108.6° | 110.8° |
| C1 | C | HC1 | 109.7° | 109.5° |
| C1 | C | HC2 | 109.8° | 109.5° |
| O | C | HC1 | 109.8° | 109.4° |
| O | C | HC2 | 109.7° | 109.5° |
| C | O | H | 109.5° | 114.0° |
| C18 | C5 | C6 | 119.9° | 120.1° |
| C5 | C18 | C9 | 118.9° | 120.0° |
| C5 | C18 | H18 | 120.6° | 120.0° |
| C5 | C6 | C7 | 120.4° | 120.1° |
| C5 | C6 | H6 | 119.8° | 119.9° |
| C18 | C9 | C8 | 120.0° | 119.9° |
| C18 | C9 | N1 | 122.2° | 120.0° |
| C9 | C18 | H18 | 120.5° | 120.0° |
| C8 | C9 | N1 | 117.8° | 120.1° |
| C9 | C8 | CL | 112.8° | 120.0° |
| C9 | C8 | C7 | 123.2° | 119.9° |
| C9 | N1 | C10 | 121.5° | 120.0° |
| C9 | N1 | HA | 119.2° | 120.0° |
| CL | C8 | C7 | 124.0° | 120.1° |
| C8 | C7 | C6 | 117.4° | 120.1° |
| C8 | C7 | H7 | 121.3° | 120.0° |
| C7 | C6 | H6 | 119.8° | 119.9° |
| C6 | C7 | H7 | 121.3° | 120.0° |
| N1 | C10 | O1 | 123.9° | 119.9° |
| N1 | C10 | C11 | 119.7° | 120.0° |
| C10 | N1 | HA | 119.2° | 120.0° |
| O1 | C10 | C11 | 116.4° | 120.0° |
| C10 | C11 | C12 | 106.4° | 109.5° |
| C10 | C11 | H111 | 110.3° | 109.5° |
| C10 | C11 | H112 | 110.2° | 109.5° |
| C11 | C12 | C17 | 121.9° | 120.0° |
| C11 | C12 | C13 | 115.7° | 120.0° |
| C12 | C11 | H111 | 110.2° | 109.4° |
| C12 | C11 | H112 | 110.2° | 109.5° |
| C17 | C12 | C13 | 122.5° | 120.1° |
| C12 | C17 | C16 | 118.3° | 120.0° |
| C12 | C17 | H17 | 120.8° | 120.0° |
| C12 | C13 | C14 | 121.2° | 120.0° |
| C12 | C13 | H13 | 119.4° | 120.0° |
| C17 | C16 | C15 | 116.9° | 119.9° |
| C16 | C17 | H17 | 120.9° | 120.0° |
| C17 | C16 | H16 | 121.6° | 120.0° |
| C16 | C15 | F | 121.6° | 120.0° |
| C16 | C15 | C14 | 125.1° | 120.0° |
| C15 | C16 | H16 | 121.6° | 120.0° |
| F | C15 | C14 | 113.3° | 120.0° |
| C15 | C14 | C13 | 116.0° | 120.0° |
| C15 | C14 | H14 | 122.0° | 120.0° |
| C14 | C13 | H13 | 119.4° | 120.0° |
| C13 | C14 | H14 | 122.0° | 120.0° |
| H221 | C22 | H222 | 109.5° | 109.4° |
| H201 | C20 | H202 | 109.4° | 109.5° |
| H21C | C2 | H22C | 109.4° | 110.0° |
| H31C | C3 | H32C | 109.5° | 110.4° |
| HC1 | C | HC2 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C26 | C25 | C27 | 175.5° | 179.8° |
| CL1 | C26 | C25 | C24 | 177.2° | 180.0° |
| CL1 | C26 | C27 | C28 | 179.0° | 180.0° |
| CL1 | C26 | C25 | H25 | 2.8° | 0.0° |
| CL1 | C26 | C27 | H27 | 1.0° | 0.0° |
| C26 | C25 | C24 | H25 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 1.7° | 0.0° |
| C25 | C26 | C27 | C28 | 3.8° | 0.3° |
| C25 | C26 | C27 | H27 | 176.2° | 179.7° |
| C26 | C25 | C24 | H24 | 178.2° | 180.0° |
| C27 | C26 | C25 | C24 | 1.7° | 0.3° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C23 | 2.4° | 0.0° |
| C27 | C26 | C25 | H25 | 178.3° | 179.8° |
| C26 | C27 | C28 | H28 | 177.6° | 180.0° |
| C25 | C24 | C23 | H24 | 180.0° | 180.0° |
| C25 | C24 | C23 | C28 | 3.2° | 0.3° |
| C25 | C24 | C23 | C22 | 179.9° | 180.0° |
| C24 | C23 | C28 | C27 | 1.1° | 0.3° |
| C24 | C23 | C28 | C22 | 176.5° | 179.7° |
| C24 | C23 | C22 | C21 | 119.7° | 90.0° |
| C23 | C24 | C25 | H25 | 178.2° | 180.0° |
| C24 | C23 | C28 | H28 | 179.0° | 179.7° |
| C24 | C23 | C22 | H221 | 119.9° | 150.0° |
| C24 | C23 | C22 | H222 | 0.8° | 30.0° |
| C27 | C28 | C23 | H28 | 180.0° | 180.0° |
| C27 | C28 | C23 | C22 | 177.6° | 180.0° |
| C28 | C23 | C22 | C21 | 57.0° | 89.8° |
| C23 | C28 | C27 | H27 | 177.6° | 180.0° |
| C28 | C23 | C24 | H24 | 176.8° | 179.7° |
| C28 | C23 | C22 | H221 | 63.4° | 30.3° |
| C28 | C23 | C22 | H222 | 177.4° | 150.3° |
| C23 | C22 | C21 | H221 | 120.4° | 120.1° |
| C23 | C22 | C21 | H222 | 120.4° | 120.0° |
| C23 | C22 | C21 | O3 | 171.2° | 65.0° |
| C23 | C22 | C21 | C20 | 67.2° | 175.0° |
| C22 | C23 | C24 | H24 | 0.1° | 0.0° |
| C22 | C23 | C28 | H28 | 2.5° | 0.0° |
| C23 | C22 | H221 | H222 | 118.7° | 120.0° |
| C23 | C22 | C21 | H21 | 53.8° | 54.9° |
| C22 | C21 | O3 | C20 | 124.3° | 120.0° |
| C22 | C21 | O3 | H21 | 116.6° | 120.0° |
| C22 | C21 | C20 | H21 | 120.9° | 120.0° |
| C22 | C21 | C20 | C19 | 87.8° | 175.0° |
| C21 | C22 | H221 | H222 | 118.7° | 119.9° |
| C22 | C21 | O3 | H3 | 180.0° | 60.0° |
| C22 | C21 | C20 | H201 | 152.1° | 64.9° |
| C22 | C21 | C20 | H202 | 32.3° | 55.0° |
| O3 | C21 | C20 | H21 | 119.8° | 120.0° |
| O3 | C21 | C20 | C19 | 153.0° | 65.0° |
| O3 | C21 | C22 | H221 | 50.7° | 55.1° |
| O3 | C21 | C22 | H222 | 68.4° | 175.0° |
| O3 | C21 | C20 | H201 | 32.8° | 55.0° |
| O3 | C21 | C20 | H202 | 87.0° | 175.0° |
| C21 | C20 | C19 | H201 | 120.1° | 120.0° |
| C21 | C20 | C19 | H202 | 120.1° | 120.0° |
| C21 | C20 | C19 | O2 | 59.7° | 0.0° |
| C21 | C20 | C19 | N | 124.9° | 180.0° |
| C20 | C21 | C22 | H221 | 172.4° | 64.9° |
| C20 | C21 | C22 | H222 | 53.3° | 55.0° |
| C20 | C21 | O3 | H3 | 55.7° | 60.0° |
| C21 | C20 | H201 | H202 | 119.7° | 120.0° |
| C20 | C19 | O2 | N | 175.5° | 180.0° |
| C20 | C19 | N | C2 | 0.6° | 0.0° |
| C20 | C19 | N | C3 | 175.2° | 179.7° |
| C19 | C20 | C21 | H21 | 33.1° | 55.0° |
| C19 | C20 | H201 | H202 | 119.7° | 120.0° |
| O2 | C19 | N | C2 | 174.8° | 180.0° |
| O2 | C19 | N | C3 | 0.2° | 0.3° |
| O2 | C19 | C20 | H201 | 60.4° | 120.0° |
| O2 | C19 | C20 | H202 | 179.8° | 120.0° |
| C19 | N | C2 | C3 | 175.1° | 179.7° |
| C19 | N | C2 | C1 | 175.4° | 179.0° |
| C19 | N | C3 | C4 | 162.2° | 155.9° |
| N | C19 | C20 | H201 | 115.0° | 60.0° |
| N | C19 | C20 | H202 | 4.7° | 60.0° |
| C19 | N | C2 | H21C | 65.6° | 59.6° |
| C19 | N | C2 | H22C | 56.5° | 61.6° |
| C19 | N | C3 | H31C | 78.7° | 85.2° |
| C19 | N | C3 | H32C | 43.0° | 37.1° |
| N | C2 | C1 | H21C | 118.9° | 119.4° |
| N | C2 | C1 | H22C | 118.9° | 119.4° |
| C2 | N | C3 | C4 | 13.0° | 24.4° |
| N | C2 | C1 | C4 | 28.1° | 22.0° |
| N | C2 | C1 | C | 151.1° | 140.5° |
| N | C2 | H21C | H22C | 123.0° | 121.1° |
| C2 | N | C3 | H31C | 106.1° | 94.5° |
| C2 | N | C3 | H32C | 132.1° | 143.2° |
| N | C2 | C1 | H1 | 88.8° | 96.2° |
| C3 | N | C2 | C1 | 9.5° | 1.3° |
| N | C3 | C4 | H31C | 119.1° | 118.9° |
| N | C3 | C4 | H32C | 119.1° | 118.8° |
| N | C3 | C4 | C1 | 29.6° | 37.1° |
| N | C3 | C4 | C5 | 149.5° | 155.1° |
| C3 | N | C2 | H21C | 109.5° | 120.7° |
| C3 | N | C2 | H22C | 128.4° | 118.1° |
| N | C3 | H31C | H32C | 122.6° | 122.3° |
| N | C3 | C4 | H4 | 87.7° | 81.1° |
| C2 | C1 | C4 | C3 | 36.4° | 35.5° |
| C2 | C1 | C4 | C | 122.0° | 118.4° |
| C2 | C1 | C4 | H1 | 117.2° | 118.3° |
| C2 | C1 | C4 | C5 | 155.9° | 153.5° |
| C2 | C1 | C | H1 | 120.5° | 123.3° |
| C2 | C1 | C | O | 59.2° | 66.5° |
| C1 | C2 | H21C | H22C | 123.1° | 121.1° |
| C2 | C1 | C4 | H4 | 81.0° | 82.7° |
| C2 | C1 | C | HC1 | 60.7° | 173.5° |
| C2 | C1 | C | HC2 | 179.0° | 53.5° |
| C3 | C4 | C1 | C5 | 119.5° | 118.1° |
| C3 | C4 | C1 | H4 | 117.4° | 118.1° |
| C3 | C4 | C5 | H4 | 122.7° | 123.9° |
| C3 | C4 | C1 | C | 158.4° | 153.9° |
| C3 | C4 | C5 | C18 | 75.5° | 121.4° |
| C3 | C4 | C5 | C6 | 106.8° | 58.8° |
| C4 | C3 | H31C | H32C | 122.6° | 122.3° |
| C3 | C4 | C1 | H1 | 80.8° | 82.8° |
| C1 | C4 | C5 | H4 | 123.0° | 124.0° |
| C4 | C1 | C | H1 | 121.0° | 123.1° |
| C4 | C1 | C | O | 59.3° | 179.9° |
| C1 | C4 | C5 | C18 | 38.9° | 126.4° |
| C1 | C4 | C5 | C6 | 138.8° | 53.3° |
| C4 | C1 | C2 | H21C | 90.8° | 97.4° |
| C4 | C1 | C2 | H22C | 147.1° | 141.4° |
| C1 | C4 | C3 | H31C | 89.5° | 81.8° |
| C1 | C4 | C3 | H32C | 148.7° | 155.9° |
| C4 | C1 | C | HC1 | 179.1° | 59.9° |
| C4 | C1 | C | HC2 | 60.5° | 60.1° |
| C5 | C4 | C1 | C | 82.1° | 88.1° |
| C4 | C5 | C18 | C6 | 177.6° | 179.7° |
| C4 | C5 | C18 | C9 | 178.3° | 180.0° |
| C4 | C5 | C6 | C7 | 178.0° | 179.8° |
| C5 | C4 | C3 | H31C | 30.4° | 36.3° |
| C5 | C4 | C3 | H32C | 91.3° | 86.1° |
| C5 | C4 | C1 | H1 | 38.7° | 35.2° |
| C4 | C5 | C18 | H18 | 1.7° | 0.0° |
| C4 | C5 | C6 | H6 | 1.9° | 0.0° |
| C1 | C | O | HC1 | 119.8° | 119.9° |
| C1 | C | O | HC2 | 119.8° | 120.0° |
| C | C1 | C2 | H21C | 32.2° | 21.1° |
| C | C1 | C2 | H22C | 90.0° | 100.1° |
| C | C1 | C4 | H4 | 41.0° | 35.8° |
| C1 | C | HC1 | HC2 | 120.5° | 120.0° |
| C1 | C | O | H | 180.0° | 179.9° |
| O | C | C1 | H1 | 179.6° | 56.8° |
| O | C | HC1 | HC2 | 120.5° | 120.0° |
| C5 | C18 | C9 | H18 | 180.0° | 180.0° |
| C5 | C18 | C9 | C8 | 1.6° | 0.0° |
| C5 | C18 | C9 | N1 | 178.4° | 180.0° |
| C18 | C5 | C6 | C7 | 4.1° | 0.5° |
| C18 | C5 | C4 | H4 | 161.9° | 2.5° |
| C18 | C5 | C6 | H6 | 175.9° | 179.7° |
| C6 | C5 | C18 | C9 | 0.7° | 0.2° |
| C5 | C6 | C7 | C8 | 5.1° | 0.5° |
| C5 | C6 | C7 | H6 | 180.0° | 179.8° |
| C6 | C5 | C4 | H4 | 15.8° | 177.3° |
| C6 | C5 | C18 | H18 | 179.3° | 179.7° |
| C5 | C6 | C7 | H7 | 174.9° | 179.6° |
| C18 | C9 | C8 | N1 | 179.9° | 179.9° |
| C18 | C9 | C8 | CL | 179.7° | 180.0° |
| C18 | C9 | C8 | C7 | 0.5° | 0.0° |
| C18 | C9 | N1 | C10 | 95.9° | 24.8° |
| C18 | C9 | N1 | HA | 84.2° | 155.1° |
| C9 | C8 | CL | C7 | 179.2° | 180.0° |
| C9 | C8 | C7 | C6 | 2.8° | 0.2° |
| C8 | C9 | N1 | C10 | 84.2° | 155.2° |
| C8 | C9 | C18 | H18 | 178.4° | 180.0° |
| C8 | C9 | N1 | HA | 95.8° | 24.8° |
| C9 | C8 | C7 | H7 | 177.2° | 179.9° |
| N1 | C9 | C8 | CL | 0.3° | 0.0° |
| N1 | C9 | C8 | C7 | 179.5° | 180.0° |
| C9 | N1 | C10 | HA | 180.0° | 180.0° |
| C9 | N1 | C10 | O1 | 10.5° | 5.5° |
| C9 | N1 | C10 | C11 | 169.4° | 174.5° |
| N1 | C9 | C18 | H18 | 1.6° | 0.0° |
| CL | C8 | C7 | C6 | 176.3° | 179.8° |
| CL | C8 | C7 | H7 | 3.7° | 0.1° |
| C8 | C7 | C6 | H7 | 180.0° | 179.9° |
| C8 | C7 | C6 | H6 | 174.9° | 179.7° |
| N1 | C10 | O1 | C11 | 179.9° | 180.0° |
| N1 | C10 | C11 | C12 | 111.5° | 180.0° |
| N1 | C10 | C11 | H111 | 8.1° | 60.0° |
| N1 | C10 | C11 | H112 | 129.0° | 60.0° |
| O1 | C10 | C11 | C12 | 68.6° | 0.0° |
| O1 | C10 | N1 | HA | 169.5° | 174.5° |
| O1 | C10 | C11 | H111 | 171.9° | 120.0° |
| O1 | C10 | C11 | H112 | 50.9° | 120.0° |
| C10 | C11 | C12 | H111 | 119.5° | 120.0° |
| C10 | C11 | C12 | H112 | 119.5° | 120.0° |
| C10 | C11 | C12 | C17 | 92.9° | 89.9° |
| C10 | C11 | C12 | C13 | 86.7° | 90.3° |
| C11 | C10 | N1 | HA | 10.5° | 5.5° |
| C10 | C11 | H111 | H112 | 121.4° | 120.0° |
| C11 | C12 | C17 | C13 | 179.6° | 179.8° |
| C11 | C12 | C17 | C16 | 178.3° | 180.0° |
| C11 | C12 | C13 | C14 | 178.1° | 179.7° |
| C12 | C11 | H111 | H112 | 121.4° | 120.0° |
| C11 | C12 | C17 | H17 | 1.7° | 0.1° |
| C11 | C12 | C13 | H13 | 1.9° | 0.0° |
| C12 | C17 | C16 | H17 | 180.0° | 180.0° |
| C12 | C17 | C16 | C15 | 1.5° | 0.0° |
| C17 | C12 | C13 | C14 | 1.5° | 0.5° |
| C17 | C12 | C11 | H111 | 26.6° | 30.1° |
| C17 | C12 | C11 | H112 | 147.6° | 150.0° |
| C17 | C12 | C13 | H13 | 178.5° | 179.8° |
| C12 | C17 | C16 | H16 | 178.5° | 180.0° |
| C13 | C12 | C17 | C16 | 1.3° | 0.3° |
| C12 | C13 | C14 | C15 | 1.8° | 0.5° |
| C12 | C13 | C14 | H13 | 180.0° | 179.7° |
| C13 | C12 | C11 | H111 | 153.7° | 149.7° |
| C13 | C12 | C11 | H112 | 32.8° | 29.8° |
| C13 | C12 | C17 | H17 | 178.7° | 179.7° |
| C12 | C13 | C14 | H14 | 178.2° | 179.7° |
| C17 | C16 | C15 | H16 | 180.0° | 179.9° |
| C17 | C16 | C15 | F | 179.1° | 180.0° |
| C17 | C16 | C15 | C14 | 2.0° | 0.0° |
| C16 | C15 | F | C14 | 179.0° | 180.0° |
| C16 | C15 | C14 | C13 | 2.2° | 0.3° |
| C15 | C16 | C17 | H17 | 178.5° | 180.0° |
| C16 | C15 | C14 | H14 | 177.8° | 180.0° |
| F | C15 | C14 | C13 | 178.9° | 179.7° |
| F | C15 | C16 | H16 | 0.9° | 0.1° |
| F | C15 | C14 | H14 | 1.1° | 0.1° |
| C15 | C14 | C13 | H14 | 180.0° | 179.8° |
| C15 | C14 | C13 | H13 | 178.2° | 179.8° |
| C14 | C15 | C16 | H16 | 178.0° | 180.0° |
| H25 | C25 | C24 | H24 | 1.8° | 0.0° |
| H27 | C27 | C28 | H28 | 2.4° | 0.0° |
| H221 | C22 | C21 | H21 | 66.6° | 175.0° |
| H222 | C22 | C21 | H21 | 174.2° | 65.1° |
| H21 | C21 | O3 | H3 | 63.4° | 180.0° |
| H21 | C21 | C20 | H201 | 87.0° | 175.0° |
| H21 | C21 | C20 | H202 | 153.2° | 65.0° |
| H21C | C2 | C1 | H1 | 152.3° | 144.4° |
| H22C | C2 | C1 | H1 | 30.1° | 23.2° |
| H31C | C3 | C4 | H4 | 153.2° | 160.0° |
| H32C | C3 | C4 | H4 | 31.4° | 37.7° |
| H1 | C1 | C4 | H4 | 161.8° | 159.0° |
| H1 | C1 | C | HC1 | 59.8° | 63.2° |
| H1 | C1 | C | HC2 | 60.6° | 176.8° |
| HC1 | C | O | H | 60.2° | 60.1° |
| HC2 | C | O | H | 60.2° | 59.9° |
| H6 | C6 | C7 | H7 | 5.1° | 0.1° |
| H17 | C17 | C16 | H16 | 1.5° | 0.1° |
| H13 | C13 | C14 | H14 | 1.8° | 0.0° |
