A1I52
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C26 | sing | 1.74Å | 1.73Å | |
| N | C | sing | 1.47Å | 1.47Å | |
| CL | C25 | sing | 1.74Å | 1.73Å | |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.48Å | |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| O1 | C12 | sing | 1.43Å | 1.39Å | |
| C12 | C4 | sing | 1.53Å | 1.57Å | |
| C12 | C13 | sing | 1.51Å | 1.49Å | |
| C25 | C24 | sing | 1.38Å | 1.37Å | Aromatic |
| C27 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | N1 | sing | 1.47Å | 1.45Å | |
| N1 | C5 | sing | 1.35Å | 1.34Å | |
| C13 | N3 | sing | 1.35Å | 1.38Å | Aromatic |
| C13 | N2 | doub | 1.30Å | 1.30Å | Aromatic |
| N3 | C14 | doub | 1.31Å | 1.29Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.51Å | 1.51Å | |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C29 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| N2 | O2 | sing | 1.21Å | 1.44Å | Aromatic |
| C20 | C21 | sing | 1.53Å | 1.45Å | |
| C20 | O3 | sing | 1.43Å | 1.43Å | |
| C5 | C6 | sing | 1.48Å | 1.49Å | |
| C5 | O | doub | 1.22Å | 1.23Å | |
| C10 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | O2 | sing | 1.34Å | 1.34Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.49Å | |
| C6 | C7 | doub | 1.40Å | 1.40Å | Aromatic |
| C19 | O3 | sing | 1.36Å | 1.38Å | |
| C19 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | F | sing | 1.35Å | 1.35Å | |
| C9 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| C24 | H19 | sing | 1.08Å | 1.08Å | |
| C27 | H20 | sing | 1.08Å | 1.08Å | |
| N | H21 | sing | 1.01Å | 1.00Å | |
| N | H22 | sing | 1.01Å | 1.00Å | |
| C | H24 | sing | 1.09Å | 1.10Å | |
| C | H25 | sing | 1.09Å | 1.10Å | |
| N1 | H26 | sing | 0.97Å | 1.00Å | |
| O1 | H27 | sing | 0.97Å | 0.95Å | |
| C10 | H28 | sing | 1.08Å | 1.08Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.08Å | 1.08Å | |
| C29 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C26 | C25 | 120.1° | 120.0° |
| CL1 | C26 | C27 | 119.6° | 120.0° |
| N | C | C1 | 110.2° | 109.5° |
| C | N | H21 | 109.5° | 111.0° |
| C | N | H22 | 109.5° | 111.0° |
| N | C | H24 | 109.3° | 109.5° |
| N | C | H25 | 109.3° | 109.5° |
| CL | C25 | C26 | 121.2° | 120.0° |
| CL | C25 | C24 | 118.8° | 120.0° |
| C | C1 | C2 | 113.1° | 109.5° |
| C | C1 | H1 | 108.5° | 109.5° |
| C | C1 | H2 | 108.6° | 109.5° |
| C1 | C | H24 | 109.3° | 109.5° |
| C1 | C | H25 | 109.3° | 109.4° |
| C1 | C2 | C3 | 111.0° | 109.5° |
| C2 | C1 | H1 | 108.6° | 109.5° |
| C2 | C1 | H2 | 108.5° | 109.4° |
| C1 | C2 | H3 | 109.1° | 109.4° |
| C1 | C2 | H4 | 109.1° | 109.5° |
| C25 | C26 | C27 | 120.3° | 119.9° |
| C26 | C25 | C24 | 120.0° | 119.9° |
| C26 | C27 | C22 | 120.1° | 120.0° |
| C26 | C27 | H20 | 119.9° | 119.9° |
| C2 | C3 | C4 | 113.7° | 109.4° |
| C3 | C2 | H3 | 109.1° | 109.5° |
| C3 | C2 | H4 | 109.1° | 109.5° |
| C2 | C3 | H5 | 108.4° | 109.4° |
| C2 | C3 | H6 | 108.4° | 109.5° |
| C3 | C4 | C12 | 116.2° | 109.4° |
| C3 | C4 | N1 | 105.9° | 109.5° |
| C4 | C3 | H5 | 108.4° | 109.5° |
| C4 | C3 | H6 | 108.4° | 109.5° |
| C3 | C4 | H7 | 107.0° | 109.5° |
| O1 | C12 | C4 | 104.0° | 109.5° |
| O1 | C12 | C13 | 107.8° | 109.5° |
| O1 | C12 | H11 | 114.2° | 109.5° |
| C12 | O1 | H27 | 109.5° | 114.0° |
| C4 | C12 | C13 | 106.6° | 109.5° |
| C12 | C4 | N1 | 113.3° | 109.5° |
| C12 | C4 | H7 | 106.3° | 109.5° |
| C4 | C12 | H11 | 111.3° | 109.4° |
| C12 | C13 | N3 | 121.1° | 126.3° |
| C12 | C13 | N2 | 123.9° | 126.3° |
| C13 | C12 | H11 | 112.5° | 109.5° |
| C25 | C24 | C23 | 119.7° | 120.0° |
| C25 | C24 | H19 | 120.1° | 120.0° |
| C27 | C22 | C23 | 118.4° | 120.0° |
| C27 | C22 | C21 | 123.6° | 120.0° |
| C22 | C27 | H20 | 119.9° | 120.0° |
| C4 | N1 | C5 | 122.3° | 120.0° |
| N1 | C4 | H7 | 107.7° | 109.4° |
| C4 | N1 | H26 | 118.8° | 120.0° |
| N1 | C5 | C6 | 116.2° | 120.0° |
| N1 | C5 | O | 123.0° | 120.0° |
| C5 | N1 | H26 | 118.9° | 120.0° |
| N3 | C13 | N2 | 115.0° | 107.4° |
| C13 | N3 | C14 | 102.9° | 105.6° |
| C13 | N2 | O2 | 102.5° | 110.3° |
| N3 | C14 | O2 | 113.6° | 106.9° |
| N3 | C14 | C15 | 128.5° | 126.5° |
| C24 | C23 | C22 | 121.3° | 120.1° |
| C24 | C23 | H18 | 119.4° | 120.0° |
| C23 | C24 | H19 | 120.1° | 120.0° |
| C23 | C22 | C21 | 118.0° | 120.0° |
| C22 | C23 | H18 | 119.3° | 119.9° |
| C22 | C21 | C20 | 116.5° | 109.5° |
| C22 | C21 | H16 | 107.7° | 109.5° |
| C22 | C21 | H17 | 107.7° | 109.5° |
| C29 | C28 | C19 | 119.7° | 120.0° |
| C28 | C29 | C16 | 121.0° | 120.1° |
| C29 | C28 | H31 | 120.2° | 120.0° |
| C28 | C29 | H32 | 119.5° | 120.0° |
| C28 | C19 | O3 | 125.0° | 120.1° |
| C28 | C19 | C18 | 119.9° | 119.9° |
| C19 | C28 | H31 | 120.1° | 120.0° |
| C10 | C11 | C6 | 120.8° | 119.9° |
| C11 | C10 | C9 | 118.1° | 120.0° |
| C10 | C11 | H10 | 119.6° | 120.0° |
| C11 | C10 | H28 | 120.9° | 120.0° |
| C11 | C6 | C5 | 118.7° | 120.1° |
| C11 | C6 | C7 | 119.3° | 119.8° |
| C6 | C11 | H10 | 119.6° | 120.1° |
| C29 | C16 | C15 | 120.9° | 120.0° |
| C29 | C16 | C17 | 118.4° | 120.1° |
| C16 | C29 | H32 | 119.5° | 120.0° |
| N2 | O2 | C14 | 106.0° | 109.8° |
| C21 | C20 | O3 | 110.4° | 109.5° |
| C20 | C21 | H16 | 107.7° | 109.5° |
| C20 | C21 | H17 | 107.7° | 109.5° |
| C21 | C20 | H29 | 109.2° | 109.4° |
| C21 | C20 | H30 | 109.2° | 109.5° |
| C20 | O3 | C19 | 116.6° | 117.0° |
| O3 | C20 | H29 | 109.3° | 109.5° |
| O3 | C20 | H30 | 109.3° | 109.5° |
| C6 | C5 | O | 120.7° | 120.0° |
| C5 | C6 | C7 | 122.0° | 120.1° |
| C10 | C9 | F | 118.4° | 119.9° |
| C10 | C9 | C8 | 123.0° | 120.2° |
| C9 | C10 | H28 | 120.9° | 119.9° |
| O2 | C14 | C15 | 117.8° | 126.6° |
| C14 | C15 | C16 | 114.2° | 109.4° |
| C14 | C15 | H12 | 108.3° | 109.5° |
| C14 | C15 | H13 | 108.3° | 109.5° |
| C6 | C7 | C8 | 120.5° | 119.8° |
| C6 | C7 | H8 | 119.7° | 120.0° |
| O3 | C19 | C18 | 115.1° | 120.0° |
| C19 | C18 | C17 | 119.6° | 119.9° |
| C19 | C18 | H15 | 120.2° | 120.0° |
| C15 | C16 | C17 | 120.3° | 120.0° |
| C16 | C15 | H12 | 108.3° | 109.4° |
| C16 | C15 | H13 | 108.3° | 109.4° |
| C16 | C17 | C18 | 121.2° | 120.1° |
| C16 | C17 | H14 | 119.4° | 120.0° |
| F | C9 | C8 | 118.6° | 119.9° |
| C9 | C8 | C7 | 118.1° | 120.2° |
| C9 | C8 | H9 | 120.9° | 120.0° |
| C8 | C7 | H8 | 119.7° | 120.2° |
| C7 | C8 | H9 | 120.9° | 119.9° |
| C18 | C17 | H14 | 119.4° | 119.9° |
| C17 | C18 | H15 | 120.2° | 120.1° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C2 | H4 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H12 | C15 | H13 | 109.4° | 109.5° |
| H16 | C21 | H17 | 109.4° | 109.5° |
| H21 | N | H22 | 109.4° | 111.0° |
| H24 | C | H25 | 109.5° | 109.5° |
| H29 | C20 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C26 | C25 | CL | 2.6° | 0.1° |
| CL1 | C26 | C25 | C27 | 178.3° | 179.8° |
| CL1 | C26 | C25 | C24 | 176.5° | 180.0° |
| CL1 | C26 | C27 | C22 | 177.5° | 180.0° |
| CL1 | C26 | C27 | H20 | 2.5° | 0.1° |
| N | C | C1 | H24 | 120.1° | 120.0° |
| N | C | C1 | H25 | 120.1° | 120.0° |
| N | C | C1 | C2 | 174.8° | 180.0° |
| N | C | C1 | H1 | 54.3° | 60.0° |
| N | C | C1 | H2 | 64.6° | 60.1° |
| C | N | H21 | H22 | 120.0° | 124.0° |
| N | C | H24 | H25 | 119.7° | 120.0° |
| CL | C25 | C26 | C24 | 179.1° | 179.9° |
| CL | C25 | C26 | C27 | 179.1° | 179.7° |
| CL | C25 | C24 | C23 | 179.6° | 180.0° |
| CL | C25 | C24 | H19 | 0.4° | 0.1° |
| C | C1 | C2 | H1 | 120.5° | 120.0° |
| C | C1 | C2 | H2 | 120.5° | 120.0° |
| C | C1 | C2 | C3 | 175.5° | 180.0° |
| C | C1 | H1 | H2 | 118.4° | 120.0° |
| C | C1 | C2 | H3 | 64.3° | 60.0° |
| C | C1 | C2 | H4 | 55.3° | 60.0° |
| C1 | C | N | H21 | 180.0° | 56.1° |
| C1 | C | N | H22 | 60.0° | 180.0° |
| C1 | C | H24 | H25 | 119.7° | 120.0° |
| C1 | C2 | C3 | H3 | 120.2° | 119.9° |
| C1 | C2 | C3 | H4 | 120.2° | 120.0° |
| C1 | C2 | C3 | C4 | 178.1° | 180.0° |
| C2 | C1 | H1 | H2 | 118.3° | 119.9° |
| C1 | C2 | H3 | H4 | 119.3° | 120.0° |
| C1 | C2 | C3 | H5 | 57.5° | 60.1° |
| C1 | C2 | C3 | H6 | 61.3° | 60.0° |
| C2 | C1 | C | H24 | 65.1° | 59.9° |
| C2 | C1 | C | H25 | 54.7° | 60.1° |
| C25 | C26 | C27 | C22 | 0.8° | 0.2° |
| C26 | C25 | C24 | C23 | 0.4° | 0.1° |
| C26 | C25 | C24 | H19 | 179.5° | 180.0° |
| C25 | C26 | C27 | H20 | 179.2° | 179.7° |
| C27 | C26 | C25 | C24 | 1.8° | 0.2° |
| C26 | C27 | C22 | H20 | 180.0° | 179.9° |
| C26 | C27 | C22 | C23 | 1.4° | 0.1° |
| C26 | C27 | C22 | C21 | 178.5° | 180.0° |
| C2 | C3 | C4 | H5 | 120.6° | 119.9° |
| C2 | C3 | C4 | H6 | 120.6° | 120.0° |
| C2 | C3 | C4 | C12 | 172.7° | 175.0° |
| C2 | C3 | C4 | N1 | 60.5° | 65.0° |
| C3 | C2 | C1 | H1 | 55.0° | 60.0° |
| C3 | C2 | C1 | H2 | 64.0° | 60.0° |
| C3 | C2 | H3 | H4 | 119.3° | 120.1° |
| C2 | C3 | H5 | H6 | 118.1° | 120.0° |
| C2 | C3 | C4 | H7 | 54.1° | 55.0° |
| C3 | C4 | C12 | O1 | 60.2° | 55.1° |
| C3 | C4 | C12 | N1 | 123.0° | 120.0° |
| C3 | C4 | C12 | H7 | 119.0° | 120.0° |
| C3 | C4 | C12 | C13 | 173.9° | 65.0° |
| C3 | C4 | N1 | H7 | 114.2° | 120.0° |
| C3 | C4 | N1 | C5 | 124.2° | 85.0° |
| C4 | C3 | C2 | H3 | 61.7° | 60.1° |
| C4 | C3 | C2 | H4 | 57.9° | 60.0° |
| C4 | C3 | H5 | H6 | 118.1° | 120.0° |
| C3 | C4 | C12 | H11 | 63.1° | 175.0° |
| C3 | C4 | N1 | H26 | 55.8° | 95.0° |
| O1 | C12 | C4 | C13 | 113.7° | 120.0° |
| O1 | C12 | C4 | H11 | 123.4° | 120.0° |
| O1 | C12 | C13 | H11 | 126.7° | 120.0° |
| O1 | C12 | C4 | N1 | 176.8° | 65.0° |
| O1 | C12 | C13 | N3 | 146.4° | 135.0° |
| O1 | C12 | C13 | N2 | 33.0° | 45.1° |
| O1 | C12 | C4 | H7 | 58.7° | 175.1° |
| C4 | C12 | C13 | H11 | 122.2° | 120.0° |
| C12 | C4 | N1 | H7 | 117.2° | 120.0° |
| C12 | C4 | N1 | C5 | 107.3° | 155.0° |
| C4 | C12 | C13 | N3 | 102.6° | 105.0° |
| C4 | C12 | C13 | N2 | 78.1° | 75.0° |
| C12 | C4 | C3 | H5 | 52.1° | 55.0° |
| C12 | C4 | C3 | H6 | 66.7° | 65.0° |
| C12 | C4 | N1 | H26 | 72.7° | 25.0° |
| C4 | C12 | O1 | H27 | 180.0° | 60.1° |
| C13 | C12 | C4 | N1 | 63.1° | 175.0° |
| C12 | C13 | N3 | N2 | 179.4° | 179.9° |
| C12 | C13 | N3 | C14 | 179.6° | 180.0° |
| C12 | C13 | N2 | O2 | 179.9° | 180.0° |
| C13 | C12 | C4 | H7 | 55.0° | 55.0° |
| C13 | C12 | O1 | H27 | 67.1° | 60.0° |
| C25 | C24 | C23 | H19 | 180.0° | 179.9° |
| C25 | C24 | C23 | C22 | 1.8° | 0.3° |
| C25 | C24 | C23 | H18 | 178.2° | 180.0° |
| C27 | C22 | C23 | C24 | 2.7° | 0.3° |
| C27 | C22 | C23 | C21 | 179.9° | 180.0° |
| C27 | C22 | C21 | C20 | 18.9° | 90.1° |
| C27 | C22 | C21 | H16 | 102.2° | 30.0° |
| C27 | C22 | C21 | H17 | 139.9° | 150.0° |
| C27 | C22 | C23 | H18 | 177.3° | 180.0° |
| C4 | N1 | C5 | H26 | 180.0° | 180.0° |
| C4 | N1 | C5 | C6 | 179.6° | 180.0° |
| C4 | N1 | C5 | O | 3.4° | 0.0° |
| N1 | C4 | C3 | H5 | 178.8° | 175.0° |
| N1 | C4 | C3 | H6 | 60.1° | 55.0° |
| N1 | C4 | C12 | H11 | 59.9° | 55.0° |
| N1 | C5 | C6 | C11 | 53.0° | 0.3° |
| N1 | C5 | C6 | O | 177.0° | 180.0° |
| N1 | C5 | C6 | C7 | 127.7° | 180.0° |
| C5 | N1 | C4 | H7 | 10.0° | 35.0° |
| N3 | C13 | N2 | O2 | 0.7° | 0.1° |
| C13 | N3 | C14 | O2 | 0.4° | 0.0° |
| C13 | N3 | C14 | C15 | 176.5° | 180.0° |
| N3 | C13 | C12 | H11 | 19.6° | 15.0° |
| N2 | C13 | N3 | C14 | 0.2° | 0.0° |
| C13 | N2 | O2 | C14 | 0.9° | 0.1° |
| N2 | C13 | C12 | H11 | 159.7° | 165.1° |
| N3 | C14 | O2 | N2 | 0.9° | 0.1° |
| N3 | C14 | O2 | C15 | 176.5° | 180.0° |
| N3 | C14 | C15 | C16 | 105.9° | 90.0° |
| N3 | C14 | C15 | H12 | 14.8° | 29.9° |
| N3 | C14 | C15 | H13 | 133.4° | 150.0° |
| C24 | C23 | C22 | H18 | 180.0° | 179.7° |
| C24 | C23 | C22 | C21 | 177.2° | 179.7° |
| C23 | C22 | C21 | C20 | 161.3° | 90.0° |
| C23 | C22 | C21 | H16 | 77.7° | 150.0° |
| C23 | C22 | C21 | H17 | 40.2° | 30.0° |
| C22 | C23 | C24 | H19 | 178.2° | 179.7° |
| C23 | C22 | C27 | H20 | 178.6° | 180.0° |
| C22 | C21 | C20 | H16 | 121.0° | 120.1° |
| C22 | C21 | C20 | H17 | 121.0° | 120.0° |
| C22 | C21 | C20 | O3 | 164.5° | 180.0° |
| C22 | C21 | H16 | H17 | 116.8° | 120.0° |
| C21 | C22 | C23 | H18 | 2.9° | 0.1° |
| C21 | C22 | C27 | H20 | 1.5° | 0.1° |
| C22 | C21 | C20 | H29 | 75.4° | 60.0° |
| C22 | C21 | C20 | H30 | 44.4° | 59.9° |
| C29 | C28 | C19 | H31 | 180.0° | 179.6° |
| C28 | C29 | C16 | H32 | 180.0° | 179.5° |
| C29 | C28 | C19 | O3 | 178.2° | 179.7° |
| C29 | C28 | C19 | C18 | 0.8° | 0.2° |
| C28 | C29 | C16 | C15 | 176.6° | 179.8° |
| C28 | C29 | C16 | C17 | 2.9° | 0.5° |
| C19 | C28 | C29 | C16 | 1.2° | 0.5° |
| C28 | C19 | O3 | C20 | 13.6° | 0.1° |
| C28 | C19 | O3 | C18 | 179.0° | 179.9° |
| C28 | C19 | C18 | C17 | 2.0° | 0.1° |
| C28 | C19 | C18 | H15 | 178.0° | 180.0° |
| C19 | C28 | C29 | H32 | 178.8° | 180.0° |
| C10 | C11 | C6 | H10 | 180.0° | 180.0° |
| C10 | C11 | C6 | C5 | 176.7° | 180.0° |
| C11 | C10 | C9 | H28 | 180.0° | 180.0° |
| C10 | C11 | C6 | C7 | 2.6° | 0.3° |
| C11 | C10 | C9 | F | 176.8° | 180.0° |
| C11 | C10 | C9 | C8 | 1.4° | 0.2° |
| C11 | C6 | C5 | C7 | 179.3° | 179.7° |
| C11 | C6 | C5 | O | 124.0° | 179.7° |
| C6 | C11 | C10 | C9 | 2.3° | 0.0° |
| C11 | C6 | C7 | C8 | 2.0° | 0.3° |
| C11 | C6 | C7 | H8 | 178.0° | 179.8° |
| C6 | C11 | C10 | H28 | 177.7° | 180.0° |
| C29 | C16 | C15 | C14 | 102.7° | 90.3° |
| C29 | C16 | C15 | C17 | 173.6° | 179.7° |
| C29 | C16 | C17 | C18 | 4.2° | 0.3° |
| C29 | C16 | C15 | H12 | 18.1° | 29.7° |
| C29 | C16 | C15 | H13 | 136.6° | 149.7° |
| C29 | C16 | C17 | H14 | 175.8° | 179.8° |
| C16 | C29 | C28 | H31 | 178.8° | 179.9° |
| N2 | O2 | C14 | C15 | 177.4° | 180.0° |
| C21 | C20 | O3 | H29 | 120.1° | 120.0° |
| C21 | C20 | O3 | H30 | 120.1° | 120.0° |
| C21 | C20 | O3 | C19 | 171.4° | 180.0° |
| C20 | C21 | H16 | H17 | 116.8° | 120.0° |
| C21 | C20 | H29 | H30 | 119.6° | 120.0° |
| C20 | O3 | C19 | C18 | 165.4° | 180.0° |
| O3 | C20 | C21 | H16 | 43.5° | 59.9° |
| O3 | C20 | C21 | H17 | 74.5° | 60.0° |
| O3 | C20 | H29 | H30 | 119.6° | 120.0° |
| C5 | C6 | C7 | C8 | 177.3° | 180.0° |
| C5 | C6 | C7 | H8 | 2.7° | 0.1° |
| C5 | C6 | C11 | H10 | 3.3° | 0.0° |
| C6 | C5 | N1 | H26 | 0.4° | 0.0° |
| O | C5 | C6 | C7 | 55.3° | 0.0° |
| O | C5 | N1 | H26 | 176.6° | 180.0° |
| C10 | C9 | F | C8 | 178.2° | 179.8° |
| C10 | C9 | C8 | C7 | 0.8° | 0.2° |
| C10 | C9 | C8 | H9 | 179.2° | 179.8° |
| C9 | C10 | C11 | H10 | 177.7° | 180.0° |
| O2 | C14 | C15 | C16 | 78.2° | 90.0° |
| O2 | C14 | C15 | H12 | 161.1° | 150.0° |
| O2 | C14 | C15 | H13 | 42.5° | 29.9° |
| C14 | C15 | C16 | H12 | 120.7° | 120.0° |
| C14 | C15 | C16 | H13 | 120.7° | 120.0° |
| C14 | C15 | C16 | C17 | 83.7° | 90.0° |
| C14 | C15 | H12 | H13 | 117.8° | 120.1° |
| C6 | C7 | C8 | C9 | 1.1° | 0.0° |
| C6 | C7 | C8 | H8 | 180.0° | 179.9° |
| C6 | C7 | C8 | H9 | 178.9° | 180.0° |
| C7 | C6 | C11 | H10 | 177.4° | 179.7° |
| O3 | C19 | C18 | C17 | 177.0° | 180.0° |
| O3 | C19 | C18 | H15 | 3.0° | 0.1° |
| C19 | O3 | C20 | H29 | 51.3° | 60.0° |
| C19 | O3 | C20 | H30 | 68.5° | 60.0° |
| O3 | C19 | C28 | H31 | 1.8° | 0.1° |
| C19 | C18 | C17 | C16 | 3.8° | 0.0° |
| C19 | C18 | C17 | H15 | 180.0° | 180.0° |
| C19 | C18 | C17 | H14 | 176.2° | 179.9° |
| C18 | C19 | C28 | H31 | 179.2° | 179.8° |
| C15 | C16 | C17 | C18 | 178.0° | 180.0° |
| C16 | C15 | H12 | H13 | 117.8° | 120.0° |
| C15 | C16 | C17 | H14 | 2.0° | 0.0° |
| C15 | C16 | C29 | H32 | 3.4° | 0.2° |
| C16 | C17 | C18 | H14 | 180.0° | 179.9° |
| C17 | C16 | C15 | H12 | 155.6° | 150.0° |
| C17 | C16 | C15 | H13 | 37.0° | 30.0° |
| C16 | C17 | C18 | H15 | 176.2° | 179.9° |
| C17 | C16 | C29 | H32 | 177.1° | 179.9° |
| F | C9 | C8 | C7 | 177.4° | 180.0° |
| F | C9 | C8 | H9 | 2.6° | 0.0° |
| F | C9 | C10 | H28 | 3.2° | 0.0° |
| C9 | C8 | C7 | H9 | 180.0° | 180.0° |
| C9 | C8 | C7 | H8 | 179.0° | 180.0° |
| C8 | C9 | C10 | H28 | 178.6° | 179.8° |
| H1 | C1 | C2 | H3 | 175.2° | 60.0° |
| H1 | C1 | C2 | H4 | 65.2° | 180.0° |
| H1 | C1 | C | H24 | 174.4° | 180.0° |
| H1 | C1 | C | H25 | 65.8° | 60.0° |
| H2 | C1 | C2 | H3 | 56.3° | 180.0° |
| H2 | C1 | C2 | H4 | 175.8° | 60.0° |
| H2 | C1 | C | H24 | 55.5° | 60.0° |
| H2 | C1 | C | H25 | 175.3° | 180.0° |
| H3 | C2 | C3 | H5 | 177.7° | 180.0° |
| H3 | C2 | C3 | H6 | 58.9° | 60.0° |
| H4 | C2 | C3 | H5 | 62.8° | 60.0° |
| H4 | C2 | C3 | H6 | 178.5° | NaN° |
| H5 | C3 | C4 | H7 | 66.5° | 65.0° |
| H6 | C3 | C4 | H7 | 174.8° | 175.0° |
| H7 | C4 | C12 | H11 | 177.9° | 65.0° |
| H7 | C4 | N1 | H26 | 170.0° | 145.0° |
| H8 | C7 | C8 | H9 | 1.0° | 0.0° |
| H10 | C11 | C10 | H28 | 2.3° | 0.0° |
| H11 | C12 | O1 | H27 | 58.6° | 180.0° |
| H14 | C17 | C18 | H15 | 3.8° | 0.0° |
| H16 | C21 | C20 | H29 | 163.6° | 60.0° |
| H16 | C21 | C20 | H30 | 76.7° | 180.0° |
| H17 | C21 | C20 | H29 | 45.7° | 180.0° |
| H17 | C21 | C20 | H30 | 165.4° | 60.0° |
| H18 | C23 | C24 | H19 | 1.8° | 0.1° |
| H21 | N | C | H24 | 59.9° | 64.0° |
| H21 | N | C | H25 | 59.9° | 176.0° |
| H22 | N | C | H24 | 60.1° | 60.0° |
| H22 | N | C | H25 | 179.9° | 60.1° |
| H31 | C28 | C29 | H32 | 1.2° | 0.4° |
