A1CEY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F4 | C2 | sing | 1.40Å | 1.38Å | |
| O25 | C24 | doub | 1.22Å | 1.21Å | |
| F1 | C2 | sing | 1.40Å | 1.38Å | |
| C2 | F3 | sing | 1.40Å | 1.38Å | |
| C2 | C5 | sing | 1.51Å | 1.51Å | |
| C49 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C49 | C47 | sing | 1.38Å | 1.39Å | Aromatic |
| CL4 | C47 | sing | 1.74Å | 1.73Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | N21 | sing | 1.47Å | 1.48Å | |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C18 | sing | 1.53Å | 1.53Å | |
| C24 | N21 | sing | 1.35Å | 1.35Å | |
| C24 | C26 | sing | 1.48Å | 1.47Å | |
| C47 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| O32 | C31 | sing | 1.36Å | 1.36Å | |
| N21 | C20 | sing | 1.47Å | 1.48Å | |
| C26 | C31 | doub | 1.40Å | 1.40Å | Aromatic |
| C26 | N27 | sing | 1.33Å | 1.34Å | Aromatic |
| C31 | C30 | sing | 1.39Å | 1.40Å | Aromatic |
| O11 | C10 | doub | 1.21Å | 1.23Å | |
| O35 | C34 | doub | 1.22Å | 1.23Å | |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| N27 | C28 | doub | 1.31Å | 1.33Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C8 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | N9 | sing | 1.40Å | 1.40Å | |
| C18 | C33 | sing | 1.51Å | 1.51Å | |
| C18 | C17 | sing | 1.54Å | 1.55Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C34 | C33 | sing | 1.41Å | 1.42Å | |
| C34 | N36 | sing | 1.34Å | 1.34Å | |
| C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C14 | doub | 1.35Å | 1.37Å | |
| N37 | N36 | sing | 1.40Å | 1.39Å | Aromatic |
| N37 | C38 | doub | 1.31Å | 1.31Å | Aromatic |
| N36 | C40 | sing | 1.36Å | 1.36Å | Aromatic |
| C10 | N9 | sing | 1.35Å | 1.35Å | |
| C10 | C12 | sing | 1.51Å | 1.50Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C45 | C46 | sing | 1.53Å | 1.53Å | |
| C45 | O44 | sing | 1.43Å | 1.43Å | |
| C28 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C15 | sing | 1.55Å | 1.54Å | |
| C46 | N41 | sing | 1.47Å | 1.48Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C14 | N13 | sing | 1.37Å | 1.37Å | |
| C38 | N41 | sing | 1.39Å | 1.38Å | |
| C38 | N39 | sing | 1.34Å | 1.34Å | Aromatic |
| C40 | N13 | sing | 1.37Å | 1.37Å | |
| C40 | N39 | doub | 1.32Å | 1.30Å | Aromatic |
| N41 | C42 | sing | 1.47Å | 1.47Å | |
| N13 | C12 | sing | 1.46Å | 1.47Å | |
| O44 | C43 | sing | 1.43Å | 1.43Å | |
| C43 | C42 | sing | 1.53Å | 1.53Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C30 | H15 | sing | 1.08Å | 1.08Å | |
| N9 | H16 | sing | 0.97Å | 1.00Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.08Å | 1.08Å | |
| C29 | H22 | sing | 1.08Å | 1.08Å | |
| O32 | H23 | sing | 0.97Å | 0.95Å | |
| C42 | H24 | sing | 1.09Å | 1.10Å | |
| C42 | H25 | sing | 1.09Å | 1.10Å | |
| C43 | H26 | sing | 1.09Å | 1.10Å | |
| C43 | H27 | sing | 1.09Å | 1.10Å | |
| C45 | H28 | sing | 1.09Å | 1.10Å | |
| C45 | H29 | sing | 1.09Å | 1.10Å | |
| C46 | H30 | sing | 1.09Å | 1.10Å | |
| C46 | H31 | sing | 1.09Å | 1.10Å | |
| C49 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F4 | C2 | F1 | 110.8° | 109.5° |
| F4 | C2 | F3 | 106.2° | 109.5° |
| F4 | C2 | C5 | 110.1° | 109.5° |
| O25 | C24 | N21 | 121.4° | 120.0° |
| O25 | C24 | C26 | 115.7° | 120.0° |
| F1 | C2 | F3 | 108.3° | 109.5° |
| F1 | C2 | C5 | 108.8° | 109.4° |
| F3 | C2 | C5 | 112.7° | 109.5° |
| C2 | C5 | C49 | 120.0° | 119.9° |
| C2 | C5 | C6 | 120.3° | 120.0° |
| C5 | C49 | C47 | 120.9° | 120.1° |
| C49 | C5 | C6 | 119.7° | 120.1° |
| C5 | C49 | H32 | 119.6° | 120.0° |
| C49 | C47 | CL4 | 120.5° | 120.1° |
| C49 | C47 | C8 | 119.3° | 119.9° |
| C47 | C49 | H32 | 119.6° | 119.9° |
| CL4 | C47 | C8 | 120.1° | 120.0° |
| C23 | C22 | N21 | 111.2° | 108.8° |
| C22 | C23 | C18 | 111.8° | 109.4° |
| C22 | C23 | H13 | 108.9° | 109.5° |
| C22 | C23 | H14 | 108.9° | 109.5° |
| C23 | C22 | H19 | 109.0° | 109.5° |
| C23 | C22 | H20 | 109.0° | 109.6° |
| C22 | N21 | C24 | 120.5° | 120.6° |
| C22 | N21 | C20 | 116.6° | 118.8° |
| N21 | C22 | H19 | 109.0° | 109.6° |
| N21 | C22 | H20 | 109.0° | 109.6° |
| C5 | C6 | C7 | 119.4° | 120.1° |
| C5 | C6 | H1 | 120.3° | 119.9° |
| C23 | C18 | C33 | 111.4° | 110.4° |
| C23 | C18 | C17 | 112.3° | 109.9° |
| C23 | C18 | C19 | 109.5° | 110.7° |
| C18 | C23 | H13 | 108.9° | 109.5° |
| C18 | C23 | H14 | 108.9° | 109.4° |
| N21 | C24 | C26 | 122.9° | 120.0° |
| C24 | N21 | C20 | 122.9° | 120.6° |
| C24 | C26 | C31 | 119.0° | 119.7° |
| C24 | C26 | N27 | 119.5° | 119.8° |
| C47 | C8 | C7 | 118.9° | 119.8° |
| C47 | C8 | N9 | 125.1° | 120.1° |
| O32 | C31 | C26 | 121.2° | 120.6° |
| O32 | C31 | C30 | 120.9° | 120.5° |
| C31 | O32 | H23 | 109.5° | 114.0° |
| N21 | C20 | C19 | 107.6° | 108.7° |
| N21 | C20 | H17 | 109.9° | 109.6° |
| N21 | C20 | H18 | 109.9° | 109.8° |
| C31 | C26 | N27 | 121.5° | 120.5° |
| C26 | C31 | C30 | 118.0° | 118.9° |
| C26 | N27 | C28 | 121.2° | 121.7° |
| C31 | C30 | C29 | 119.0° | 118.4° |
| C31 | C30 | H15 | 120.5° | 120.8° |
| O11 | C10 | N9 | 122.8° | 120.0° |
| O11 | C10 | C12 | 120.6° | 120.0° |
| O35 | C34 | C33 | 122.6° | 120.0° |
| O35 | C34 | N36 | 118.7° | 120.0° |
| C6 | C7 | C8 | 121.8° | 119.9° |
| C7 | C6 | H1 | 120.3° | 119.9° |
| C6 | C7 | H2 | 119.1° | 120.1° |
| N27 | C28 | C29 | 120.6° | 121.1° |
| N27 | C28 | H21 | 119.7° | 119.5° |
| C16 | C15 | C17 | 111.4° | 110.4° |
| C16 | C15 | C14 | 112.1° | 110.3° |
| C16 | C15 | H5 | 109.0° | 110.3° |
| C15 | C16 | H6 | 109.5° | 109.4° |
| C15 | C16 | H7 | 109.5° | 109.5° |
| C15 | C16 | H8 | 109.5° | 109.5° |
| C7 | C8 | N9 | 116.0° | 120.1° |
| C8 | C7 | H2 | 119.1° | 120.0° |
| C8 | N9 | C10 | 122.6° | 120.0° |
| C8 | N9 | H16 | 118.7° | 120.0° |
| C33 | C18 | C17 | 105.7° | 105.5° |
| C33 | C18 | C19 | 109.6° | 110.3° |
| C18 | C33 | C34 | 130.5° | 130.4° |
| C18 | C33 | C14 | 110.7° | 110.1° |
| C17 | C18 | C19 | 108.1° | 109.9° |
| C18 | C17 | C15 | 104.6° | 101.9° |
| C18 | C17 | H9 | 110.7° | 111.0° |
| C18 | C17 | H10 | 110.7° | 111.0° |
| C18 | C19 | C20 | 111.6° | 109.4° |
| C18 | C19 | H11 | 108.9° | 109.5° |
| C18 | C19 | H12 | 108.9° | 109.5° |
| C33 | C34 | N36 | 118.8° | 119.9° |
| C34 | C33 | C14 | 118.8° | 119.4° |
| C34 | N36 | N37 | 131.3° | 133.1° |
| C34 | N36 | C40 | 121.9° | 120.3° |
| C30 | C29 | C28 | 119.7° | 119.4° |
| C29 | C30 | H15 | 120.5° | 120.8° |
| C30 | C29 | H22 | 120.1° | 120.3° |
| C33 | C14 | C15 | 110.7° | 110.2° |
| C33 | C14 | N13 | 121.2° | 119.7° |
| N36 | N37 | C38 | 106.2° | 106.9° |
| N37 | N36 | C40 | 106.7° | 106.6° |
| N37 | C38 | N41 | 125.7° | 125.4° |
| N37 | C38 | N39 | 109.9° | 109.2° |
| N36 | C40 | N13 | 120.4° | 120.0° |
| N36 | C40 | N39 | 107.9° | 107.6° |
| N9 | C10 | C12 | 116.7° | 120.0° |
| C10 | N9 | H16 | 118.7° | 120.0° |
| C10 | C12 | N13 | 112.1° | 109.5° |
| C10 | C12 | H3 | 108.8° | 109.5° |
| C10 | C12 | H4 | 108.8° | 109.4° |
| C20 | C19 | H11 | 109.0° | 109.5° |
| C20 | C19 | H12 | 109.0° | 109.5° |
| C19 | C20 | H17 | 109.9° | 109.6° |
| C19 | C20 | H18 | 109.9° | 109.6° |
| C46 | C45 | O44 | 108.8° | 109.3° |
| C45 | C46 | N41 | 108.3° | 109.2° |
| C46 | C45 | H28 | 109.6° | 109.5° |
| C46 | C45 | H29 | 109.6° | 109.5° |
| C45 | C46 | H30 | 109.8° | 109.5° |
| C45 | C46 | H31 | 109.8° | 109.6° |
| C45 | O44 | C43 | 114.9° | 113.8° |
| O44 | C45 | H28 | 109.7° | 109.5° |
| O44 | C45 | H29 | 109.7° | 109.5° |
| C29 | C28 | H21 | 119.7° | 119.4° |
| C28 | C29 | H22 | 120.1° | 120.3° |
| C17 | C15 | C14 | 105.9° | 105.1° |
| C17 | C15 | H5 | 109.0° | 110.4° |
| C15 | C17 | H9 | 110.7° | 110.9° |
| C15 | C17 | H10 | 110.7° | 111.0° |
| C46 | N41 | C38 | 116.0° | 111.0° |
| C46 | N41 | C42 | 116.1° | 110.8° |
| N41 | C46 | H30 | 109.8° | 109.5° |
| N41 | C46 | H31 | 109.8° | 109.5° |
| C15 | C14 | N13 | 128.1° | 130.1° |
| C14 | C15 | H5 | 109.3° | 110.3° |
| C14 | N13 | C40 | 118.9° | 120.6° |
| C14 | N13 | C12 | 122.3° | 119.7° |
| N41 | C38 | N39 | 124.4° | 125.4° |
| C38 | N41 | C42 | 115.7° | 111.0° |
| C38 | N39 | C40 | 109.2° | 109.7° |
| N13 | C40 | N39 | 131.7° | 132.4° |
| C40 | N13 | C12 | 118.8° | 119.8° |
| N41 | C42 | C43 | 108.6° | 109.3° |
| N41 | C42 | H24 | 109.7° | 109.5° |
| N41 | C42 | H25 | 109.7° | 109.5° |
| N13 | C12 | H3 | 108.8° | 109.5° |
| N13 | C12 | H4 | 108.8° | 109.4° |
| O44 | C43 | C42 | 109.0° | 109.3° |
| O44 | C43 | H26 | 109.6° | 109.5° |
| O44 | C43 | H27 | 109.6° | 109.5° |
| C43 | C42 | H24 | 109.6° | 109.5° |
| C43 | C42 | H25 | 109.7° | 109.6° |
| C42 | C43 | H26 | 109.6° | 109.5° |
| C42 | C43 | H27 | 109.6° | 109.5° |
| H3 | C12 | H4 | 109.4° | 109.5° |
| H6 | C16 | H7 | 109.5° | 109.5° |
| H6 | C16 | H8 | 109.5° | 109.5° |
| H7 | C16 | H8 | 109.5° | 109.5° |
| H9 | C17 | H10 | 109.5° | 110.8° |
| H11 | C19 | H12 | 109.5° | 109.4° |
| H13 | C23 | H14 | 109.4° | 109.5° |
| H17 | C20 | H18 | 109.5° | 109.6° |
| H19 | C22 | H20 | 109.5° | 109.7° |
| H24 | C42 | H25 | 109.5° | 109.5° |
| H26 | C43 | H27 | 109.5° | 109.5° |
| H28 | C45 | H29 | 109.5° | 109.5° |
| H30 | C46 | H31 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F4 | C2 | F1 | F3 | 116.1° | 120.0° |
| F4 | C2 | F1 | C5 | 121.1° | 120.0° |
| F4 | C2 | F3 | C5 | 120.6° | 120.0° |
| F4 | C2 | C5 | C49 | 45.9° | 29.8° |
| F4 | C2 | C5 | C6 | 133.6° | 150.0° |
| O25 | C24 | N21 | C22 | 1.4° | 178.4° |
| O25 | C24 | N21 | C26 | 178.0° | 179.9° |
| O25 | C24 | N21 | C20 | 179.1° | 1.7° |
| O25 | C24 | C26 | C31 | 83.0° | 46.3° |
| O25 | C24 | C26 | N27 | 97.1° | 133.7° |
| F1 | C2 | F3 | C5 | 120.4° | 120.0° |
| F1 | C2 | C5 | C49 | 75.6° | 149.8° |
| F1 | C2 | C5 | C6 | 104.9° | 30.0° |
| F3 | C2 | C5 | C49 | 164.3° | 90.3° |
| F3 | C2 | C5 | C6 | 15.2° | 90.0° |
| C2 | C5 | C49 | C6 | 179.5° | 179.7° |
| C2 | C5 | C49 | C47 | 179.6° | 179.8° |
| C2 | C5 | C6 | C7 | 179.0° | 180.0° |
| C2 | C5 | C6 | H1 | 1.0° | 0.0° |
| C2 | C5 | C49 | H32 | 0.4° | 0.1° |
| C5 | C49 | C47 | H32 | 180.0° | 179.8° |
| C5 | C49 | C47 | CL4 | 178.5° | 179.8° |
| C5 | C49 | C47 | C8 | 0.4° | 0.4° |
| C49 | C5 | C6 | C7 | 1.5° | 0.3° |
| C49 | C5 | C6 | H1 | 178.6° | 179.8° |
| C49 | C47 | CL4 | C8 | 178.1° | 179.8° |
| C47 | C49 | C5 | C6 | 0.0° | 0.5° |
| C49 | C47 | C8 | C7 | 0.6° | 0.2° |
| C49 | C47 | C8 | N9 | 179.9° | 179.7° |
| CL4 | C47 | C8 | C7 | 177.6° | 180.0° |
| CL4 | C47 | C8 | N9 | 2.0° | 0.1° |
| CL4 | C47 | C49 | H32 | 1.5° | 0.1° |
| C23 | C22 | N21 | H19 | 120.3° | 119.8° |
| C23 | C22 | N21 | H20 | 120.2° | 119.8° |
| C22 | C23 | C18 | H13 | 120.4° | 120.0° |
| C22 | C23 | C18 | H14 | 120.4° | 119.9° |
| C23 | C22 | N21 | C24 | 127.4° | 125.9° |
| C23 | C22 | N21 | C20 | 53.1° | 54.1° |
| C22 | C23 | C18 | C33 | 175.3° | 177.5° |
| C22 | C23 | C18 | C17 | 66.3° | 61.5° |
| C22 | C23 | C18 | C19 | 53.8° | 60.1° |
| C22 | C23 | H13 | H14 | 118.9° | 120.0° |
| C23 | C22 | H19 | H20 | 119.2° | 120.3° |
| N21 | C22 | C23 | C18 | 50.3° | 53.9° |
| C22 | N21 | C24 | C20 | 179.5° | 180.0° |
| C22 | N21 | C24 | C26 | 179.4° | 1.6° |
| C22 | N21 | C20 | C19 | 55.8° | 54.1° |
| N21 | C22 | C23 | H13 | 70.1° | 173.9° |
| N21 | C22 | C23 | H14 | 170.6° | 66.0° |
| C22 | N21 | C20 | H17 | 63.9° | 173.9° |
| C22 | N21 | C20 | H18 | 175.5° | 65.7° |
| N21 | C22 | H19 | H20 | 119.2° | 120.4° |
| C5 | C6 | C7 | H1 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 2.5° | 0.0° |
| C5 | C6 | C7 | H2 | 177.5° | 180.0° |
| C6 | C5 | C49 | H32 | 179.9° | 179.7° |
| C23 | C18 | C33 | C17 | 122.3° | 118.7° |
| C23 | C18 | C33 | C19 | 121.4° | 122.7° |
| C23 | C18 | C17 | C19 | 121.0° | 122.1° |
| C23 | C18 | C33 | C34 | 67.8° | 77.9° |
| C23 | C18 | C33 | C14 | 113.7° | 102.1° |
| C23 | C18 | C19 | C20 | 58.5° | 60.2° |
| C23 | C18 | C17 | C15 | 107.2° | 93.6° |
| C23 | C18 | C17 | H9 | 12.0° | 148.3° |
| C23 | C18 | C17 | H10 | 133.6° | 24.6° |
| C23 | C18 | C19 | H11 | 61.8° | 59.8° |
| C23 | C18 | C19 | H12 | 178.8° | 179.9° |
| C18 | C23 | H13 | H14 | 118.9° | 120.0° |
| C18 | C23 | C22 | H19 | 70.0° | 65.9° |
| C18 | C23 | C22 | H20 | 170.6° | 173.7° |
| N21 | C24 | C26 | C31 | 95.2° | 133.8° |
| N21 | C24 | C26 | N27 | 84.8° | 46.2° |
| C24 | N21 | C20 | C19 | 124.7° | 125.9° |
| C24 | N21 | C20 | H17 | 115.6° | 6.1° |
| C24 | N21 | C20 | H18 | 4.9° | 114.3° |
| C24 | N21 | C22 | H19 | 112.3° | 114.4° |
| C24 | N21 | C22 | H20 | 7.1° | 6.1° |
| C24 | C26 | C31 | O32 | 0.1° | 0.1° |
| C26 | C24 | N21 | C20 | 1.1° | 178.4° |
| C24 | C26 | C31 | N27 | 180.0° | 180.0° |
| C24 | C26 | C31 | C30 | 179.9° | 180.0° |
| C24 | C26 | N27 | C28 | 179.4° | 180.0° |
| C47 | C8 | C7 | C6 | 2.1° | 0.0° |
| C47 | C8 | C7 | N9 | 179.6° | 179.9° |
| C47 | C8 | N9 | C10 | 59.2° | 149.4° |
| C47 | C8 | C7 | H2 | 177.9° | 180.0° |
| C47 | C8 | N9 | H16 | 120.8° | 30.6° |
| C8 | C47 | C49 | H32 | 179.6° | 179.7° |
| O32 | C31 | C26 | C30 | 180.0° | 179.9° |
| O32 | C31 | C26 | N27 | 179.9° | 179.9° |
| O32 | C31 | C30 | C29 | 179.6° | 180.0° |
| O32 | C31 | C30 | H15 | 0.4° | 0.3° |
| N21 | C20 | C19 | C18 | 57.5° | 54.0° |
| N21 | C20 | C19 | H17 | 119.7° | 119.7° |
| N21 | C20 | C19 | H18 | 119.7° | 120.0° |
| N21 | C20 | C19 | H11 | 62.8° | 66.1° |
| N21 | C20 | C19 | H12 | 177.8° | 174.0° |
| N21 | C20 | H17 | H18 | 120.9° | 120.5° |
| C20 | N21 | C22 | H19 | 67.2° | 65.7° |
| C20 | N21 | C22 | H20 | 173.3° | 173.9° |
| C31 | C26 | N27 | C28 | 0.6° | 0.0° |
| C26 | C31 | C30 | C29 | 0.4° | 0.0° |
| C26 | C31 | C30 | H15 | 179.6° | 179.7° |
| C26 | C31 | O32 | H23 | 180.0° | 90.1° |
| N27 | C26 | C31 | C30 | 0.1° | 0.0° |
| C26 | N27 | C28 | C29 | 0.5° | 0.0° |
| C26 | N27 | C28 | H21 | 179.6° | 180.0° |
| C31 | C30 | C29 | H15 | 180.0° | 179.7° |
| C31 | C30 | C29 | C28 | 0.6° | 0.0° |
| C31 | C30 | C29 | H22 | 179.4° | 179.7° |
| C30 | C31 | O32 | H23 | 0.0° | 90.0° |
| O11 | C10 | N9 | C8 | 2.8° | 1.4° |
| O11 | C10 | N9 | C12 | 179.1° | 180.0° |
| O11 | C10 | C12 | N13 | 9.1° | 0.0° |
| O11 | C10 | C12 | H3 | 111.3° | 120.0° |
| O11 | C10 | C12 | H4 | 129.5° | 120.0° |
| O11 | C10 | N9 | H16 | 177.2° | 178.7° |
| O35 | C34 | C33 | C18 | 1.6° | 0.5° |
| O35 | C34 | C33 | N36 | 178.8° | 179.7° |
| O35 | C34 | C33 | C14 | 180.0° | 179.5° |
| O35 | C34 | N36 | N37 | 1.3° | 0.0° |
| O35 | C34 | N36 | C40 | 178.7° | 179.7° |
| C6 | C7 | C8 | H2 | 180.0° | 180.0° |
| C6 | C7 | C8 | N9 | 178.4° | 179.9° |
| N27 | C28 | C29 | C30 | 0.1° | 0.0° |
| N27 | C28 | C29 | H21 | 180.0° | 180.0° |
| N27 | C28 | C29 | H22 | 179.9° | 179.8° |
| C16 | C15 | C17 | C18 | 106.8° | 93.5° |
| C16 | C15 | C14 | C33 | 110.8° | 102.1° |
| C16 | C15 | C17 | C14 | 122.1° | 118.9° |
| C16 | C15 | C17 | H5 | 120.4° | 122.2° |
| C16 | C15 | C14 | H5 | 121.0° | 122.1° |
| C16 | C15 | C14 | N13 | 69.1° | 78.0° |
| C15 | C16 | H6 | H7 | 120.0° | 120.0° |
| C15 | C16 | H6 | H8 | 120.0° | 120.0° |
| C15 | C16 | H7 | H8 | 120.0° | 120.0° |
| C16 | C15 | C17 | H9 | 12.5° | 148.4° |
| C16 | C15 | C17 | H10 | 134.0° | 24.7° |
| C7 | C8 | N9 | C10 | 121.3° | 30.7° |
| C8 | C7 | C6 | H1 | 177.5° | 180.0° |
| C7 | C8 | N9 | H16 | 58.7° | 149.4° |
| C8 | N9 | C10 | H16 | 180.0° | 179.9° |
| C8 | N9 | C10 | C12 | 178.0° | 178.7° |
| N9 | C8 | C7 | H2 | 1.6° | 0.1° |
| C33 | C18 | C17 | C19 | 117.3° | 118.9° |
| C18 | C33 | C34 | C14 | 178.4° | 179.9° |
| C18 | C33 | C34 | N36 | 177.2° | 179.2° |
| C33 | C18 | C19 | C20 | 179.0° | 177.3° |
| C33 | C18 | C17 | C15 | 14.6° | 25.4° |
| C18 | C33 | C14 | C15 | 1.3° | 0.2° |
| C18 | C33 | C14 | N13 | 178.8° | 179.7° |
| C33 | C18 | C17 | H9 | 133.8° | 92.7° |
| C33 | C18 | C17 | H10 | 104.6° | 143.6° |
| C33 | C18 | C19 | H11 | 60.7° | 62.6° |
| C33 | C18 | C19 | H12 | 58.6° | 57.4° |
| C33 | C18 | C23 | H13 | 54.9° | 57.5° |
| C33 | C18 | C23 | H14 | 64.4° | 62.6° |
| C17 | C18 | C33 | C34 | 169.9° | 163.4° |
| C17 | C18 | C33 | C14 | 8.6° | 16.7° |
| C17 | C18 | C19 | C20 | 64.2° | 61.5° |
| C18 | C17 | C15 | H9 | 119.2° | 118.1° |
| C18 | C17 | C15 | H10 | 119.2° | 118.2° |
| C18 | C17 | C15 | C14 | 15.3° | 25.4° |
| C18 | C17 | C15 | H5 | 132.9° | 144.3° |
| C18 | C17 | H9 | H10 | 122.3° | 123.8° |
| C17 | C18 | C19 | H11 | 175.5° | 178.5° |
| C17 | C18 | C19 | H12 | 56.2° | 58.5° |
| C17 | C18 | C23 | H13 | 173.3° | 58.5° |
| C17 | C18 | C23 | H14 | 54.1° | 178.6° |
| C19 | C18 | C33 | C34 | 53.6° | 44.8° |
| C19 | C18 | C33 | C14 | 124.9° | 135.3° |
| C18 | C19 | C20 | H11 | 120.3° | 120.0° |
| C18 | C19 | C20 | H12 | 120.3° | 120.0° |
| C19 | C18 | C17 | C15 | 131.9° | 144.3° |
| C19 | C18 | C17 | H9 | 108.9° | 26.2° |
| C19 | C18 | C17 | H10 | 12.7° | 97.5° |
| C18 | C19 | H11 | H12 | 119.0° | 120.1° |
| C19 | C18 | C23 | H13 | 66.6° | 179.9° |
| C19 | C18 | C23 | H14 | 174.2° | 59.8° |
| C18 | C19 | C20 | H17 | 62.2° | 173.7° |
| C18 | C19 | C20 | H18 | 177.3° | 66.0° |
| C33 | C34 | N36 | N37 | 177.5° | 179.7° |
| C33 | C34 | N36 | C40 | 0.1° | 0.6° |
| C34 | C33 | C14 | C15 | 180.0° | 179.8° |
| C34 | C33 | C14 | N13 | 0.1° | 0.3° |
| N36 | C34 | C33 | C14 | 1.2° | 0.8° |
| C34 | N36 | N37 | C40 | 177.7° | 179.8° |
| C34 | N36 | N37 | C38 | 177.4° | 179.9° |
| C34 | N36 | C40 | N13 | 2.7° | 0.1° |
| C34 | N36 | C40 | N39 | 178.4° | 179.9° |
| C30 | C29 | C28 | H22 | 180.0° | 179.8° |
| C30 | C29 | C28 | H21 | 179.9° | 180.0° |
| C33 | C14 | C15 | C17 | 10.8° | 16.8° |
| C33 | C14 | C15 | N13 | 179.9° | 179.9° |
| C33 | C14 | N13 | C40 | 2.6° | 0.4° |
| C33 | C14 | N13 | C12 | 177.6° | 179.9° |
| C33 | C14 | C15 | H5 | 128.2° | 135.8° |
| N36 | N37 | C38 | N41 | 178.4° | 179.8° |
| N36 | N37 | C38 | N39 | 0.8° | 0.2° |
| N37 | N36 | C40 | N13 | 179.3° | 179.6° |
| N37 | N36 | C40 | N39 | 0.4° | 0.3° |
| C38 | N37 | N36 | C40 | 0.2° | 0.4° |
| N37 | C38 | N41 | C46 | 8.6° | 123.6° |
| N37 | C38 | N41 | N39 | 177.3° | 180.0° |
| N37 | C38 | N39 | C40 | 1.1° | 0.0° |
| N37 | C38 | N41 | C42 | 149.7° | 0.0° |
| N36 | C40 | N13 | C14 | 4.0° | 0.7° |
| N36 | C40 | N39 | C38 | 0.9° | 0.2° |
| N36 | C40 | N13 | N39 | 178.6° | 180.0° |
| N36 | C40 | N13 | C12 | 176.3° | 179.6° |
| N9 | C10 | C12 | N13 | 170.1° | 179.9° |
| N9 | C10 | C12 | H3 | 69.5° | 60.0° |
| N9 | C10 | C12 | H4 | 49.7° | 60.0° |
| C10 | C12 | N13 | C14 | 101.4° | 90.3° |
| C10 | C12 | N13 | C40 | 78.8° | 90.0° |
| C10 | C12 | N13 | H3 | 120.4° | 120.0° |
| C10 | C12 | N13 | H4 | 120.4° | 119.9° |
| C10 | C12 | H3 | H4 | 118.8° | 120.0° |
| C12 | C10 | N9 | H16 | 2.0° | 1.3° |
| C20 | C19 | H11 | H12 | 119.0° | 120.0° |
| C19 | C20 | H17 | H18 | 120.9° | 120.3° |
| C46 | C45 | O44 | H28 | 119.9° | 120.0° |
| C46 | C45 | O44 | H29 | 119.9° | 119.9° |
| C45 | C46 | N41 | H30 | 119.8° | 119.9° |
| C45 | C46 | N41 | H31 | 119.8° | 120.0° |
| C45 | C46 | N41 | C38 | 165.5° | 177.6° |
| C45 | C46 | N41 | C42 | 53.6° | 58.6° |
| C46 | C45 | O44 | C43 | 62.2° | 58.7° |
| C46 | C45 | H28 | H29 | 120.3° | 120.1° |
| C45 | C46 | H30 | H31 | 120.5° | 120.2° |
| O44 | C45 | C46 | N41 | 54.2° | 56.8° |
| C45 | O44 | C43 | C42 | 61.4° | 58.7° |
| C45 | O44 | C43 | H26 | 178.7° | 61.3° |
| C45 | O44 | C43 | H27 | 58.5° | 178.6° |
| O44 | C45 | H28 | H29 | 120.3° | 120.1° |
| O44 | C45 | C46 | H30 | 174.0° | 63.1° |
| O44 | C45 | C46 | H31 | 65.6° | 176.8° |
| C28 | C29 | C30 | H15 | 179.5° | 179.7° |
| C17 | C15 | C14 | H5 | 117.3° | 118.9° |
| C17 | C15 | C14 | N13 | 169.3° | 163.1° |
| C17 | C15 | C16 | H6 | 180.0° | 61.6° |
| C17 | C15 | C16 | H7 | 60.0° | 178.5° |
| C17 | C15 | C16 | H8 | 60.0° | 58.5° |
| C15 | C17 | H9 | H10 | 122.3° | 123.7° |
| C46 | N41 | C38 | C42 | 141.1° | 123.6° |
| C46 | N41 | C38 | N39 | 174.1° | 56.4° |
| C46 | N41 | C42 | C43 | 52.8° | 58.6° |
| C46 | N41 | C42 | H24 | 172.7° | 178.6° |
| C46 | N41 | C42 | H25 | 67.0° | 61.4° |
| N41 | C46 | C45 | H28 | 174.1° | 63.1° |
| N41 | C46 | C45 | H29 | 65.7° | 176.7° |
| N41 | C46 | H30 | H31 | 120.6° | 120.1° |
| C15 | C14 | N13 | C40 | 177.5° | 179.4° |
| C15 | C14 | N13 | C12 | 2.2° | 0.3° |
| C14 | C15 | C16 | H6 | 61.6° | 177.2° |
| C14 | C15 | C16 | H7 | 58.4° | 62.8° |
| C14 | C15 | C16 | H8 | 178.4° | 57.2° |
| C14 | C15 | C17 | H9 | 134.6° | 92.7° |
| C14 | C15 | C17 | H10 | 103.9° | 143.6° |
| C14 | N13 | C40 | C12 | 179.7° | 179.7° |
| C14 | N13 | C40 | N39 | 177.4° | 179.3° |
| C14 | N13 | C12 | H3 | 138.1° | 29.7° |
| C14 | N13 | C12 | H4 | 19.0° | 149.8° |
| N13 | C14 | C15 | H5 | 52.0° | 44.1° |
| N41 | C38 | N39 | C40 | 178.7° | 180.0° |
| C38 | N41 | C42 | C43 | 166.1° | 177.6° |
| C38 | N41 | C42 | H24 | 46.3° | 57.7° |
| C38 | N41 | C42 | H25 | 74.0° | 62.4° |
| C38 | N41 | C46 | H30 | 45.7° | 62.5° |
| C38 | N41 | C46 | H31 | 74.7° | 57.7° |
| C38 | N39 | C40 | N13 | 179.6° | 179.8° |
| N39 | C38 | N41 | C42 | 33.0° | 180.0° |
| C40 | N13 | C12 | H3 | 41.6° | 150.0° |
| C40 | N13 | C12 | H4 | 160.8° | 29.9° |
| N39 | C40 | N13 | C12 | 2.3° | 0.4° |
| N41 | C42 | C43 | O44 | 52.7° | 56.9° |
| N41 | C42 | C43 | H24 | 119.9° | 119.9° |
| N41 | C42 | C43 | H25 | 119.9° | 120.0° |
| N41 | C42 | H24 | H25 | 120.4° | 120.1° |
| N41 | C42 | C43 | H26 | 172.6° | 63.1° |
| N41 | C42 | C43 | H27 | 67.2° | 176.8° |
| C42 | N41 | C46 | H30 | 173.4° | 61.3° |
| C42 | N41 | C46 | H31 | 66.2° | 178.6° |
| N13 | C12 | H3 | H4 | 118.8° | 120.0° |
| O44 | C43 | C42 | H26 | 119.9° | 119.9° |
| O44 | C43 | C42 | H27 | 119.9° | 120.0° |
| O44 | C43 | C42 | H24 | 172.5° | 176.8° |
| O44 | C43 | C42 | H25 | 67.2° | 63.1° |
| O44 | C43 | H26 | H27 | 120.2° | 120.1° |
| C43 | O44 | C45 | H28 | 177.9° | 61.3° |
| C43 | O44 | C45 | H29 | 57.7° | 178.6° |
| C43 | C42 | H24 | H25 | 120.4° | 120.1° |
| C42 | C43 | H26 | H27 | 120.3° | 120.1° |
| H1 | C6 | C7 | H2 | 2.5° | 0.0° |
| H5 | C15 | C16 | H6 | 59.6° | 60.7° |
| H5 | C15 | C16 | H7 | 179.6° | 59.3° |
| H5 | C15 | C16 | H8 | 60.3° | 179.3° |
| H5 | C15 | C17 | H9 | 107.9° | 26.2° |
| H5 | C15 | C17 | H10 | 13.7° | 97.5° |
| H6 | C16 | H7 | H8 | 120.0° | 120.0° |
| H11 | C19 | C20 | H17 | 177.5° | 53.7° |
| H11 | C19 | C20 | H18 | 56.9° | 174.0° |
| H12 | C19 | C20 | H17 | 58.1° | 66.3° |
| H12 | C19 | C20 | H18 | 62.4° | 54.0° |
| H13 | C23 | C22 | H19 | 169.6° | 54.1° |
| H13 | C23 | C22 | H20 | 50.2° | 66.3° |
| H14 | C23 | C22 | H19 | 50.3° | 174.2° |
| H14 | C23 | C22 | H20 | 69.1° | 53.8° |
| H15 | C30 | C29 | H22 | 0.6° | 0.0° |
| H21 | C28 | C29 | H22 | 0.2° | 0.3° |
| H24 | C42 | C43 | H26 | 67.6° | 56.9° |
| H24 | C42 | C43 | H27 | 52.6° | 63.2° |
| H25 | C42 | C43 | H26 | 52.7° | 177.0° |
| H25 | C42 | C43 | H27 | 172.9° | 56.9° |
| H28 | C45 | C46 | H30 | 66.1° | 177.0° |
| H28 | C45 | C46 | H31 | 54.3° | 56.8° |
| H29 | C45 | C46 | H30 | 54.1° | 56.8° |
| H29 | C45 | C46 | H31 | 174.5° | 63.3° |
