A1CEX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C2 | sing | 1.40Å | 1.39Å | |
| F4 | C2 | sing | 1.40Å | 1.37Å | |
| C2 | F3 | sing | 1.40Å | 1.38Å | |
| C2 | C5 | sing | 1.51Å | 1.51Å | |
| O33 | C32 | doub | 1.22Å | 1.22Å | |
| C49 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C49 | C47 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C30 | N29 | sing | 1.47Å | 1.47Å | |
| CL4 | C47 | sing | 1.74Å | 1.73Å | |
| C31 | C26 | sing | 1.53Å | 1.54Å | |
| C32 | N29 | sing | 1.35Å | 1.36Å | |
| C32 | C34 | sing | 1.48Å | 1.47Å | |
| C47 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| N29 | C28 | sing | 1.47Å | 1.48Å | |
| C34 | N35 | doub | 1.33Å | 1.33Å | Aromatic |
| C34 | C39 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| O11 | C10 | doub | 1.21Å | 1.22Å | |
| N35 | C36 | sing | 1.31Å | 1.32Å | Aromatic |
| O20 | C19 | doub | 1.22Å | 1.23Å | |
| O40 | C39 | sing | 1.36Å | 1.36Å | |
| C26 | C21 | sing | 1.51Å | 1.52Å | |
| C26 | O25 | sing | 1.43Å | 1.44Å | |
| C26 | C27 | sing | 1.53Å | 1.55Å | |
| C39 | C38 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | N9 | sing | 1.40Å | 1.40Å | |
| C24 | O25 | sing | 1.43Å | 1.43Å | |
| C24 | C23 | sing | 1.53Å | 1.51Å | |
| C19 | C21 | sing | 1.42Å | 1.44Å | |
| C19 | N18 | sing | 1.34Å | 1.34Å | |
| C21 | C22 | doub | 1.35Å | 1.38Å | |
| C36 | C37 | doub | 1.39Å | 1.39Å | Aromatic |
| N17 | N18 | sing | 1.40Å | 1.39Å | Aromatic |
| N17 | C16 | doub | 1.31Å | 1.31Å | Aromatic |
| N18 | C14 | sing | 1.36Å | 1.36Å | Aromatic |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C10 | N9 | sing | 1.35Å | 1.35Å | |
| C10 | C12 | sing | 1.51Å | 1.51Å | |
| C45 | C46 | sing | 1.53Å | 1.53Å | |
| C45 | O44 | sing | 1.43Å | 1.43Å | |
| C38 | C37 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.51Å | 1.52Å | |
| C22 | N13 | sing | 1.37Å | 1.39Å | |
| C46 | N41 | sing | 1.47Å | 1.47Å | |
| C16 | N41 | sing | 1.39Å | 1.38Å | |
| C16 | N15 | sing | 1.34Å | 1.34Å | Aromatic |
| C14 | N13 | sing | 1.37Å | 1.36Å | |
| C14 | N15 | doub | 1.32Å | 1.31Å | Aromatic |
| N41 | C42 | sing | 1.47Å | 1.47Å | |
| N13 | C12 | sing | 1.47Å | 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 | |
| C23 | H5 | sing | 1.09Å | 1.10Å | |
| C23 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C27 | H9 | sing | 1.09Å | 1.10Å | |
| C27 | H10 | sing | 1.09Å | 1.10Å | |
| C30 | H11 | sing | 1.09Å | 1.10Å | |
| C30 | H12 | sing | 1.09Å | 1.10Å | |
| C31 | H13 | sing | 1.09Å | 1.10Å | |
| C31 | H14 | sing | 1.09Å | 1.10Å | |
| C36 | H15 | sing | 1.08Å | 1.08Å | |
| C37 | H16 | sing | 1.08Å | 1.08Å | |
| C38 | H17 | sing | 1.08Å | 1.08Å | |
| N9 | H18 | sing | 0.97Å | 1.00Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| O40 | H21 | sing | 0.97Å | 0.95Å | |
| C42 | H22 | sing | 1.09Å | 1.10Å | |
| C42 | H23 | sing | 1.09Å | 1.10Å | |
| C43 | H24 | sing | 1.09Å | 1.10Å | |
| C43 | H25 | sing | 1.09Å | 1.10Å | |
| C45 | H26 | sing | 1.09Å | 1.10Å | |
| C45 | H27 | sing | 1.09Å | 1.10Å | |
| C46 | H28 | sing | 1.09Å | 1.10Å | |
| C46 | H29 | sing | 1.09Å | 1.10Å | |
| C49 | H30 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C2 | F4 | 107.6° | 109.5° |
| F1 | C2 | F3 | 107.8° | 109.5° |
| F1 | C2 | C5 | 111.8° | 109.5° |
| F4 | C2 | F3 | 108.5° | 109.5° |
| F4 | C2 | C5 | 109.6° | 109.4° |
| F3 | C2 | C5 | 111.5° | 109.5° |
| C2 | C5 | C49 | 120.2° | 119.9° |
| C2 | C5 | C6 | 120.6° | 119.9° |
| O33 | C32 | N29 | 121.1° | 120.0° |
| O33 | C32 | C34 | 116.8° | 120.0° |
| C5 | C49 | C47 | 122.0° | 120.1° |
| C49 | C5 | C6 | 119.2° | 120.2° |
| C5 | C49 | H30 | 119.0° | 120.0° |
| C49 | C47 | CL4 | 117.8° | 120.1° |
| C49 | C47 | C8 | 119.5° | 119.9° |
| C47 | C49 | H30 | 119.0° | 120.0° |
| C5 | C6 | C7 | 119.0° | 120.1° |
| C5 | C6 | H1 | 120.5° | 120.0° |
| C31 | C30 | N29 | 108.0° | 108.8° |
| C30 | C31 | C26 | 109.1° | 109.3° |
| C31 | C30 | H11 | 109.8° | 109.6° |
| C31 | C30 | H12 | 109.8° | 109.6° |
| C30 | C31 | H13 | 109.6° | 109.5° |
| C30 | C31 | H14 | 109.6° | 109.5° |
| C30 | N29 | C32 | 121.6° | 120.6° |
| C30 | N29 | C28 | 115.2° | 118.7° |
| N29 | C30 | H11 | 109.8° | 109.6° |
| N29 | C30 | H12 | 109.8° | 109.6° |
| CL4 | C47 | C8 | 122.8° | 120.0° |
| C31 | C26 | C21 | 115.8° | 109.3° |
| C31 | C26 | O25 | 111.7° | 109.5° |
| C31 | C26 | C27 | 109.9° | 109.4° |
| C26 | C31 | H13 | 109.6° | 109.5° |
| C26 | C31 | H14 | 109.6° | 109.5° |
| N29 | C32 | C34 | 122.0° | 120.0° |
| C32 | N29 | C28 | 123.2° | 120.6° |
| C32 | C34 | N35 | 119.2° | 119.8° |
| C32 | C34 | C39 | 120.5° | 119.8° |
| C47 | C8 | C7 | 118.6° | 119.8° |
| C47 | C8 | N9 | 123.4° | 120.1° |
| N29 | C28 | C27 | 108.5° | 108.8° |
| N29 | C28 | H19 | 109.7° | 109.6° |
| N29 | C28 | H20 | 109.7° | 109.7° |
| N35 | C34 | C39 | 120.2° | 120.4° |
| C34 | N35 | C36 | 121.9° | 121.7° |
| C34 | C39 | O40 | 119.7° | 120.6° |
| C34 | C39 | C38 | 118.9° | 118.9° |
| C6 | C7 | C8 | 121.7° | 120.0° |
| C7 | C6 | H1 | 120.5° | 120.0° |
| C6 | C7 | H2 | 119.2° | 120.0° |
| O11 | C10 | N9 | 122.8° | 120.0° |
| O11 | C10 | C12 | 120.5° | 120.0° |
| N35 | C36 | C37 | 121.2° | 121.1° |
| N35 | C36 | H15 | 119.4° | 119.4° |
| O20 | C19 | C21 | 124.3° | 120.0° |
| O20 | C19 | N18 | 116.8° | 120.0° |
| O40 | C39 | C38 | 121.4° | 120.5° |
| C39 | O40 | H21 | 109.5° | 114.0° |
| C21 | C26 | O25 | 108.0° | 110.2° |
| C21 | C26 | C27 | 107.8° | 109.2° |
| C26 | C21 | C19 | 121.1° | 118.5° |
| C26 | C21 | C22 | 120.6° | 122.0° |
| O25 | C26 | C27 | 102.7° | 109.2° |
| C26 | O25 | C24 | 115.7° | 112.9° |
| C26 | C27 | C28 | 111.7° | 109.3° |
| C26 | C27 | H9 | 108.9° | 109.5° |
| C26 | C27 | H10 | 108.9° | 109.5° |
| C39 | C38 | C37 | 119.0° | 118.4° |
| C39 | C38 | H17 | 120.5° | 120.8° |
| C7 | C8 | N9 | 118.0° | 120.1° |
| C8 | C7 | H2 | 119.1° | 120.0° |
| C8 | N9 | C10 | 122.7° | 120.0° |
| C8 | N9 | H18 | 118.7° | 120.0° |
| O25 | C24 | C23 | 103.5° | 108.3° |
| O25 | C24 | H7 | 110.9° | 109.7° |
| O25 | C24 | H8 | 111.0° | 109.7° |
| C24 | C23 | C22 | 109.3° | 109.8° |
| C24 | C23 | H5 | 109.5° | 109.4° |
| C24 | C23 | H6 | 109.5° | 109.3° |
| C23 | C24 | H7 | 110.9° | 109.6° |
| C23 | C24 | H8 | 110.9° | 109.8° |
| C21 | C19 | N18 | 118.9° | 120.0° |
| C19 | C21 | C22 | 118.3° | 119.4° |
| C19 | N18 | N17 | 131.4° | 133.2° |
| C19 | N18 | C14 | 122.1° | 120.3° |
| C21 | C22 | C23 | 121.7° | 121.6° |
| C21 | C22 | N13 | 120.6° | 119.8° |
| C36 | C37 | C38 | 118.8° | 119.4° |
| C37 | C36 | H15 | 119.4° | 119.5° |
| C36 | C37 | H16 | 120.6° | 120.3° |
| N18 | N17 | C16 | 106.3° | 106.9° |
| N17 | N18 | C14 | 106.5° | 106.5° |
| N17 | C16 | N41 | 126.0° | 125.4° |
| N17 | C16 | N15 | 110.3° | 109.2° |
| N18 | C14 | N13 | 120.5° | 119.9° |
| N18 | C14 | N15 | 108.5° | 107.6° |
| C28 | C27 | H9 | 108.9° | 109.5° |
| C28 | C27 | H10 | 108.9° | 109.5° |
| C27 | C28 | H19 | 109.7° | 109.6° |
| C27 | C28 | H20 | 109.7° | 109.6° |
| N9 | C10 | C12 | 116.7° | 120.0° |
| C10 | N9 | H18 | 118.6° | 120.0° |
| C10 | C12 | N13 | 109.6° | 109.5° |
| C10 | C12 | H3 | 109.4° | 109.5° |
| C10 | C12 | H4 | 109.4° | 109.5° |
| C46 | C45 | O44 | 109.8° | 109.3° |
| C45 | C46 | N41 | 108.3° | 109.3° |
| C46 | C45 | H26 | 109.4° | 109.5° |
| C46 | C45 | H27 | 109.4° | 109.5° |
| C45 | C46 | H28 | 109.8° | 109.5° |
| C45 | C46 | H29 | 109.8° | 109.5° |
| C45 | O44 | C43 | 115.4° | 113.8° |
| O44 | C45 | H26 | 109.4° | 109.5° |
| O44 | C45 | H27 | 109.4° | 109.5° |
| C38 | C37 | H16 | 120.6° | 120.3° |
| C37 | C38 | H17 | 120.5° | 120.8° |
| C23 | C22 | N13 | 117.7° | 118.5° |
| C22 | C23 | H5 | 109.5° | 109.4° |
| C22 | C23 | H6 | 109.5° | 109.4° |
| C22 | N13 | C14 | 119.7° | 120.6° |
| C22 | N13 | C12 | 123.0° | 119.7° |
| C46 | N41 | C16 | 116.5° | 111.0° |
| C46 | N41 | C42 | 116.9° | 110.8° |
| N41 | C46 | H28 | 109.8° | 109.5° |
| N41 | C46 | H29 | 109.8° | 109.5° |
| N41 | C16 | N15 | 123.6° | 125.4° |
| C16 | N41 | C42 | 115.8° | 111.0° |
| C16 | N15 | C14 | 108.5° | 109.8° |
| N13 | C14 | N15 | 131.0° | 132.5° |
| C14 | N13 | C12 | 117.3° | 119.7° |
| N41 | C42 | C43 | 108.2° | 109.3° |
| N41 | C42 | H22 | 109.8° | 109.5° |
| N41 | C42 | H23 | 109.8° | 109.5° |
| N13 | C12 | H3 | 109.5° | 109.4° |
| N13 | C12 | H4 | 109.5° | 109.4° |
| O44 | C43 | C42 | 109.2° | 109.3° |
| O44 | C43 | H24 | 109.6° | 109.5° |
| O44 | C43 | H25 | 109.5° | 109.6° |
| C43 | C42 | H22 | 109.8° | 109.5° |
| C43 | C42 | H23 | 109.8° | 109.5° |
| C42 | C43 | H24 | 109.5° | 109.5° |
| C42 | C43 | H25 | 109.5° | 109.5° |
| H3 | C12 | H4 | 109.4° | 109.5° |
| H5 | C23 | H6 | 109.5° | 109.4° |
| H7 | C24 | H8 | 109.5° | 109.7° |
| H9 | C27 | H10 | 109.5° | 109.5° |
| H11 | C30 | H12 | 109.5° | 109.7° |
| H13 | C31 | H14 | 109.4° | 109.6° |
| H19 | C28 | H20 | 109.4° | 109.6° |
| H22 | C42 | H23 | 109.5° | 109.5° |
| H24 | C43 | H25 | 109.5° | 109.5° |
| H26 | C45 | H27 | 109.5° | 109.5° |
| H28 | C46 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C2 | F4 | F3 | 116.3° | 120.0° |
| F1 | C2 | F4 | C5 | 121.8° | 120.0° |
| F1 | C2 | F3 | C5 | 123.1° | 120.0° |
| F1 | C2 | C5 | C49 | 19.9° | 149.8° |
| F1 | C2 | C5 | C6 | 159.9° | 30.0° |
| F4 | C2 | F3 | C5 | 120.7° | 119.9° |
| F4 | C2 | C5 | C49 | 99.3° | 29.7° |
| F4 | C2 | C5 | C6 | 80.9° | 150.0° |
| F3 | C2 | C5 | C49 | 140.6° | 90.2° |
| F3 | C2 | C5 | C6 | 39.2° | 90.0° |
| C2 | C5 | C49 | C6 | 179.7° | 179.7° |
| C2 | C5 | C49 | C47 | 179.7° | 179.8° |
| C2 | C5 | C6 | C7 | 179.5° | 180.0° |
| C2 | C5 | C6 | H1 | 0.5° | 0.1° |
| C2 | C5 | C49 | H30 | 0.2° | 0.0° |
| O33 | C32 | N29 | C30 | 0.2° | 7.8° |
| O33 | C32 | N29 | C34 | 178.7° | 180.0° |
| O33 | C32 | N29 | C28 | 179.9° | 172.1° |
| O33 | C32 | C34 | N35 | 83.5° | 172.6° |
| O33 | C32 | C34 | C39 | 94.0° | 7.7° |
| C5 | C49 | C47 | H30 | 180.0° | 179.8° |
| C5 | C49 | C47 | CL4 | 178.9° | 179.8° |
| C5 | C49 | C47 | C8 | 0.4° | 0.5° |
| C49 | C5 | C6 | C7 | 0.2° | 0.3° |
| C49 | C5 | C6 | H1 | 179.7° | 179.8° |
| C47 | C49 | C5 | C6 | 0.0° | 0.5° |
| C49 | C47 | CL4 | C8 | 179.3° | 179.7° |
| C49 | C47 | C8 | C7 | 1.0° | 0.3° |
| C49 | C47 | C8 | N9 | 179.1° | 179.7° |
| C5 | C6 | C7 | H1 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.9° | 0.0° |
| C5 | C6 | C7 | H2 | 179.1° | 180.0° |
| C6 | C5 | C49 | H30 | 180.0° | 179.7° |
| C31 | C30 | N29 | H11 | 119.8° | 119.8° |
| C31 | C30 | N29 | H12 | 119.8° | 119.8° |
| C30 | C31 | C26 | H13 | 119.9° | 119.9° |
| C30 | C31 | C26 | H14 | 120.0° | 120.0° |
| C31 | C30 | N29 | C32 | 118.3° | 126.4° |
| C31 | C30 | N29 | C28 | 61.8° | 53.6° |
| C30 | C31 | C26 | C21 | 179.6° | 179.0° |
| C30 | C31 | C26 | O25 | 55.4° | 58.2° |
| C30 | C31 | C26 | C27 | 58.0° | 61.5° |
| C31 | C30 | H11 | H12 | 120.7° | 120.3° |
| C30 | C31 | H13 | H14 | 120.2° | 120.2° |
| N29 | C30 | C31 | C26 | 59.7° | 54.7° |
| C30 | N29 | C32 | C28 | 179.9° | 180.0° |
| C30 | N29 | C32 | C34 | 178.9° | 172.1° |
| C30 | N29 | C28 | C27 | 57.9° | 53.6° |
| N29 | C30 | H11 | H12 | 120.7° | 120.4° |
| N29 | C30 | C31 | H13 | 60.3° | 65.2° |
| N29 | C30 | C31 | H14 | 179.6° | 174.6° |
| C30 | N29 | C28 | H19 | 61.9° | 173.4° |
| C30 | N29 | C28 | H20 | 177.8° | 66.2° |
| CL4 | C47 | C8 | C7 | 178.3° | 180.0° |
| CL4 | C47 | C8 | N9 | 1.6° | 0.0° |
| CL4 | C47 | C49 | H30 | 1.0° | 0.0° |
| C31 | C26 | C21 | O25 | 126.1° | 120.4° |
| C31 | C26 | C21 | C27 | 123.5° | 119.6° |
| C31 | C26 | O25 | C27 | 117.7° | 119.8° |
| C31 | C26 | O25 | C24 | 77.9° | 68.8° |
| C31 | C26 | C21 | C19 | 63.4° | 75.4° |
| C31 | C26 | C21 | C22 | 118.6° | 104.1° |
| C31 | C26 | C27 | C28 | 55.4° | 61.5° |
| C31 | C26 | C27 | H9 | 65.0° | 58.4° |
| C31 | C26 | C27 | H10 | 175.7° | 178.6° |
| C26 | C31 | C30 | H11 | 60.1° | 65.1° |
| C26 | C31 | C30 | H12 | 179.4° | 174.5° |
| C26 | C31 | H13 | H14 | 120.2° | 120.0° |
| N29 | C32 | C34 | N35 | 95.2° | 7.4° |
| N29 | C32 | C34 | C39 | 87.3° | 172.3° |
| C32 | N29 | C28 | C27 | 122.2° | 126.4° |
| C32 | N29 | C30 | H11 | 122.0° | 113.8° |
| C32 | N29 | C30 | H12 | 1.5° | 6.6° |
| C32 | N29 | C28 | H19 | 118.0° | 6.5° |
| C32 | N29 | C28 | H20 | 2.3° | 113.8° |
| C34 | C32 | N29 | C28 | 1.2° | 7.9° |
| C32 | C34 | N35 | C39 | 177.5° | 179.7° |
| C32 | C34 | N35 | C36 | 178.8° | 179.9° |
| C32 | C34 | C39 | O40 | 1.7° | 0.1° |
| C32 | C34 | C39 | C38 | 178.6° | 180.0° |
| C47 | C8 | C7 | C6 | 1.3° | 0.0° |
| C47 | C8 | C7 | N9 | 179.9° | 180.0° |
| C47 | C8 | N9 | C10 | 58.7° | 145.5° |
| C47 | C8 | C7 | H2 | 178.7° | 180.0° |
| C47 | C8 | N9 | H18 | 121.4° | 34.5° |
| C8 | C47 | C49 | H30 | 179.6° | 179.7° |
| N29 | C28 | C27 | C26 | 52.9° | 54.8° |
| N29 | C28 | C27 | H19 | 119.9° | 119.8° |
| N29 | C28 | C27 | H20 | 119.9° | 119.9° |
| N29 | C28 | C27 | H9 | 67.5° | 65.2° |
| N29 | C28 | C27 | H10 | 173.2° | 174.7° |
| C28 | N29 | C30 | H11 | 57.9° | 66.2° |
| C28 | N29 | C30 | H12 | 178.4° | 173.4° |
| N29 | C28 | H19 | H20 | 120.5° | 120.4° |
| N35 | C34 | C39 | O40 | 179.2° | 179.8° |
| N35 | C34 | C39 | C38 | 1.1° | 0.3° |
| C34 | N35 | C36 | C37 | 0.8° | 0.1° |
| C34 | N35 | C36 | H15 | 179.2° | 179.7° |
| C39 | C34 | N35 | C36 | 1.3° | 0.2° |
| C34 | C39 | O40 | C38 | 179.7° | 180.0° |
| C34 | C39 | C38 | C37 | 0.4° | 0.0° |
| C34 | C39 | C38 | H17 | 179.6° | 179.8° |
| C34 | C39 | O40 | H21 | 180.0° | 90.0° |
| C6 | C7 | C8 | H2 | 180.0° | 180.0° |
| C6 | C7 | C8 | N9 | 178.9° | 180.0° |
| O11 | C10 | N9 | C8 | 3.2° | 5.2° |
| O11 | C10 | N9 | C12 | 179.0° | 180.0° |
| O11 | C10 | C12 | N13 | 16.9° | 0.0° |
| O11 | C10 | C12 | H3 | 103.2° | 120.0° |
| O11 | C10 | C12 | H4 | 136.9° | 120.0° |
| O11 | C10 | N9 | H18 | 176.8° | 174.7° |
| N35 | C36 | C37 | H15 | 180.0° | 179.6° |
| N35 | C36 | C37 | C38 | 0.1° | 0.4° |
| N35 | C36 | C37 | H16 | 179.9° | 179.7° |
| O20 | C19 | C21 | C26 | 3.8° | 0.5° |
| O20 | C19 | C21 | N18 | 178.5° | 179.7° |
| O20 | C19 | C21 | C22 | 178.1° | 180.0° |
| O20 | C19 | N18 | N17 | 2.6° | 0.0° |
| O20 | C19 | N18 | C14 | 179.8° | 179.9° |
| O40 | C39 | C38 | C37 | 179.9° | 180.0° |
| O40 | C39 | C38 | H17 | 0.1° | 0.2° |
| C21 | C26 | O25 | C27 | 113.8° | 119.9° |
| C21 | C26 | O25 | C24 | 50.6° | 51.5° |
| C26 | C21 | C19 | C22 | 178.1° | 179.5° |
| C26 | C21 | C19 | N18 | 177.7° | 179.8° |
| C21 | C26 | C27 | C28 | 177.6° | 178.9° |
| C26 | C21 | C22 | C23 | 5.3° | 0.9° |
| C26 | C21 | C22 | N13 | 177.4° | 179.2° |
| C21 | C26 | C27 | H9 | 62.1° | 61.2° |
| C21 | C26 | C27 | H10 | 57.2° | 59.0° |
| C21 | C26 | C31 | H13 | 60.5° | 61.0° |
| C21 | C26 | C31 | H14 | 59.6° | 59.1° |
| C26 | O25 | C24 | C23 | 76.4° | 70.0° |
| O25 | C26 | C21 | C19 | 170.5° | 164.2° |
| O25 | C26 | C21 | C22 | 7.6° | 16.3° |
| O25 | C26 | C27 | C28 | 63.7° | 58.4° |
| C26 | O25 | C24 | H7 | 42.7° | 170.5° |
| C26 | O25 | C24 | H8 | 164.6° | 49.9° |
| O25 | C26 | C27 | H9 | 176.0° | 178.3° |
| O25 | C26 | C27 | H10 | 56.7° | 61.6° |
| O25 | C26 | C31 | H13 | 175.3° | 178.2° |
| O25 | C26 | C31 | H14 | 64.6° | 61.7° |
| C27 | C26 | O25 | C24 | 164.4° | 171.4° |
| C27 | C26 | C21 | C19 | 60.1° | 44.2° |
| C27 | C26 | C21 | C22 | 117.9° | 136.3° |
| C26 | C27 | C28 | H9 | 120.3° | 120.0° |
| C26 | C27 | C28 | H10 | 120.3° | 119.9° |
| C26 | C27 | H9 | H10 | 118.9° | 120.1° |
| C27 | C26 | C31 | H13 | 62.0° | 58.5° |
| C27 | C26 | C31 | H14 | 177.9° | 178.6° |
| C26 | C27 | C28 | H19 | 67.0° | 174.6° |
| C26 | C27 | C28 | H20 | 172.7° | 65.1° |
| C39 | C38 | C37 | C36 | 0.1° | 0.3° |
| C39 | C38 | C37 | H17 | 180.0° | 179.7° |
| C39 | C38 | C37 | H16 | 179.9° | 179.8° |
| C38 | C39 | O40 | H21 | 0.4° | 90.0° |
| C7 | C8 | N9 | C10 | 121.5° | 34.5° |
| C8 | C7 | C6 | H1 | 179.1° | 179.9° |
| C7 | C8 | N9 | H18 | 58.5° | 145.5° |
| C8 | N9 | C10 | H18 | 180.0° | 180.0° |
| C8 | N9 | C10 | C12 | 177.8° | 174.7° |
| N9 | C8 | C7 | H2 | 1.1° | 0.0° |
| O25 | C24 | C23 | H7 | 119.0° | 119.7° |
| O25 | C24 | C23 | H8 | 119.1° | 119.8° |
| O25 | C24 | C23 | C22 | 54.5° | 49.0° |
| O25 | C24 | C23 | H5 | 174.5° | 169.1° |
| O25 | C24 | C23 | H6 | 65.5° | 71.1° |
| O25 | C24 | H7 | H8 | 122.8° | 120.6° |
| C24 | C23 | C22 | C21 | 19.4° | 17.2° |
| C24 | C23 | C22 | H5 | 120.0° | 120.1° |
| C24 | C23 | C22 | H6 | 120.0° | 120.0° |
| C24 | C23 | C22 | N13 | 157.9° | 163.0° |
| C24 | C23 | H5 | H6 | 120.1° | 119.8° |
| C23 | C24 | H7 | H8 | 122.7° | 120.6° |
| C21 | C19 | N18 | N17 | 178.8° | 179.7° |
| C21 | C19 | N18 | C14 | 1.6° | 0.4° |
| C19 | C21 | C22 | C23 | 176.6° | 179.6° |
| C19 | C21 | C22 | N13 | 0.7° | 0.2° |
| N18 | C19 | C21 | C22 | 0.3° | 0.3° |
| C19 | N18 | N17 | C14 | 177.6° | 179.9° |
| C19 | N18 | N17 | C16 | 177.4° | 180.0° |
| C19 | N18 | C14 | N13 | 3.2° | 0.0° |
| C19 | N18 | C14 | N15 | 178.5° | 179.9° |
| C21 | C22 | C23 | N13 | 177.3° | 179.9° |
| C21 | C22 | N13 | C14 | 0.9° | 0.7° |
| C21 | C22 | N13 | C12 | 179.9° | 179.6° |
| C21 | C22 | C23 | H5 | 139.4° | 137.2° |
| C21 | C22 | C23 | H6 | 100.6° | 102.9° |
| C36 | C37 | C38 | H16 | 180.0° | 179.9° |
| C36 | C37 | C38 | H17 | 179.9° | 179.9° |
| N18 | N17 | C16 | N41 | 178.0° | 179.9° |
| N18 | N17 | C16 | N15 | 0.9° | 0.0° |
| N17 | N18 | C14 | N13 | 179.0° | 179.9° |
| N17 | N18 | C14 | N15 | 0.7° | 0.1° |
| C16 | N17 | N18 | C14 | 0.1° | 0.1° |
| N17 | C16 | N41 | C46 | 6.7° | 123.7° |
| N17 | C16 | N41 | N15 | 176.8° | 179.9° |
| N17 | C16 | N15 | C14 | 1.3° | 0.1° |
| N17 | C16 | N41 | C42 | 150.0° | 0.0° |
| N18 | C14 | N13 | C22 | 2.8° | 0.6° |
| N18 | C14 | N15 | C16 | 1.2° | 0.1° |
| N18 | C14 | N13 | N15 | 177.9° | 179.9° |
| N18 | C14 | N13 | C12 | 178.2° | 179.7° |
| C28 | C27 | H9 | H10 | 119.0° | 120.1° |
| C27 | C28 | H19 | H20 | 120.5° | 120.3° |
| N9 | C10 | C12 | N13 | 162.1° | 180.0° |
| N9 | C10 | C12 | H3 | 77.8° | 60.0° |
| N9 | C10 | C12 | H4 | 42.1° | 60.0° |
| C10 | C12 | N13 | C22 | 89.5° | 90.3° |
| C10 | C12 | N13 | C14 | 91.5° | 90.0° |
| C10 | C12 | N13 | H3 | 120.0° | 120.0° |
| C10 | C12 | N13 | H4 | 120.0° | 120.0° |
| C10 | C12 | H3 | H4 | 119.9° | 120.0° |
| C12 | C10 | N9 | H18 | 2.1° | 5.3° |
| C46 | C45 | O44 | H26 | 120.1° | 119.9° |
| C46 | C45 | O44 | H27 | 120.1° | 119.9° |
| C45 | C46 | N41 | H28 | 119.8° | 119.9° |
| C45 | C46 | N41 | H29 | 119.8° | 120.0° |
| C45 | C46 | N41 | C16 | 164.4° | 177.6° |
| C45 | C46 | N41 | C42 | 52.8° | 58.6° |
| C46 | C45 | O44 | C43 | 59.7° | 58.6° |
| C46 | C45 | H26 | H27 | 119.8° | 120.1° |
| C45 | C46 | H28 | H29 | 120.5° | 120.1° |
| O44 | C45 | C46 | N41 | 51.7° | 56.8° |
| C45 | O44 | C43 | C42 | 60.3° | 58.6° |
| C45 | O44 | C43 | H24 | 179.7° | 61.3° |
| C45 | O44 | C43 | H25 | 59.6° | 178.6° |
| O44 | C45 | H26 | H27 | 119.8° | 120.1° |
| O44 | C45 | C46 | H28 | 171.5° | 63.1° |
| O44 | C45 | C46 | H29 | 68.2° | 176.8° |
| C38 | C37 | C36 | H15 | 179.9° | 180.0° |
| C23 | C22 | N13 | C14 | 178.3° | 179.2° |
| C23 | C22 | N13 | C12 | 2.8° | 0.5° |
| C22 | C23 | H5 | H6 | 120.1° | 119.9° |
| C22 | C23 | C24 | H7 | 64.6° | 168.6° |
| C22 | C23 | C24 | H8 | 173.5° | 70.8° |
| C22 | N13 | C14 | C12 | 179.0° | 179.7° |
| C22 | N13 | C14 | N15 | 179.3° | 179.4° |
| C22 | N13 | C12 | H3 | 150.5° | 29.7° |
| C22 | N13 | C12 | H4 | 30.5° | 149.7° |
| N13 | C22 | C23 | H5 | 38.0° | 42.9° |
| N13 | C22 | C23 | H6 | 82.1° | 77.0° |
| C46 | N41 | C16 | C42 | 143.3° | 123.7° |
| C46 | N41 | C16 | N15 | 176.5° | 56.4° |
| C46 | N41 | C42 | C43 | 53.6° | 58.6° |
| C46 | N41 | C42 | H22 | 173.4° | 178.6° |
| C46 | N41 | C42 | H23 | 66.2° | 61.3° |
| N41 | C46 | C45 | H26 | 171.7° | 63.1° |
| N41 | C46 | C45 | H27 | 68.4° | 176.8° |
| N41 | C46 | H28 | H29 | 120.5° | 120.1° |
| N41 | C16 | N15 | C14 | 178.6° | 180.0° |
| C16 | N41 | C42 | C43 | 163.3° | 177.7° |
| C16 | N41 | C42 | H22 | 43.4° | 57.7° |
| C16 | N41 | C42 | H23 | 76.9° | 62.4° |
| C16 | N41 | C46 | H28 | 44.5° | 62.5° |
| C16 | N41 | C46 | H29 | 75.8° | 57.6° |
| C16 | N15 | C14 | N13 | 179.3° | 179.9° |
| N15 | C16 | N41 | C42 | 33.2° | 179.9° |
| C14 | N13 | C12 | H3 | 28.5° | 150.0° |
| C14 | N13 | C12 | H4 | 148.5° | 30.0° |
| N15 | C14 | N13 | C12 | 0.3° | 0.4° |
| N41 | C42 | C43 | O44 | 53.0° | 56.8° |
| N41 | C42 | C43 | H22 | 119.8° | 120.0° |
| N41 | C42 | C43 | H23 | 119.8° | 119.9° |
| N41 | C42 | H22 | H23 | 120.6° | 120.1° |
| N41 | C42 | C43 | H24 | 173.0° | 63.1° |
| N41 | C42 | C43 | H25 | 66.9° | 176.8° |
| C42 | N41 | C46 | H28 | 172.6° | 61.3° |
| C42 | N41 | C46 | H29 | 67.1° | 178.6° |
| N13 | C12 | H3 | H4 | 120.0° | 120.0° |
| O44 | C43 | C42 | H24 | 119.9° | 119.9° |
| O44 | C43 | C42 | H25 | 119.9° | 120.0° |
| O44 | C43 | C42 | H22 | 172.9° | 176.8° |
| O44 | C43 | C42 | H23 | 66.8° | 63.1° |
| O44 | C43 | H24 | H25 | 120.2° | 120.1° |
| C43 | O44 | C45 | H26 | 179.8° | 61.3° |
| C43 | O44 | C45 | H27 | 60.3° | 178.6° |
| C43 | C42 | H22 | H23 | 120.6° | 120.1° |
| C42 | C43 | H24 | H25 | 120.1° | 120.1° |
| H1 | C6 | C7 | H2 | 0.9° | 0.1° |
| H5 | C23 | C24 | H7 | 55.4° | 71.3° |
| H5 | C23 | C24 | H8 | 66.5° | 49.3° |
| H6 | C23 | C24 | H7 | 175.5° | 48.5° |
| H6 | C23 | C24 | H8 | 53.6° | 169.1° |
| H9 | C27 | C28 | H19 | 172.7° | 54.6° |
| H9 | C27 | C28 | H20 | 52.4° | 174.9° |
| H10 | C27 | C28 | H19 | 53.4° | 65.5° |
| H10 | C27 | C28 | H20 | 66.9° | 54.8° |
| H11 | C30 | C31 | H13 | 179.9° | 175.0° |
| H11 | C30 | C31 | H14 | 59.9° | 54.9° |
| H12 | C30 | C31 | H13 | 59.5° | 54.6° |
| H12 | C30 | C31 | H14 | 60.6° | 65.6° |
| H15 | C36 | C37 | H16 | 0.1° | 0.1° |
| H16 | C37 | C38 | H17 | 0.1° | 0.0° |
| H22 | C42 | C43 | H24 | 67.2° | 56.9° |
| H22 | C42 | C43 | H25 | 52.9° | 63.2° |
| H23 | C42 | C43 | H24 | 53.2° | 177.0° |
| H23 | C42 | C43 | H25 | 173.3° | 56.9° |
| H26 | C45 | C46 | H28 | 68.5° | 177.0° |
| H26 | C45 | C46 | H29 | 51.9° | 56.9° |
| H27 | C45 | C46 | H28 | 51.4° | 56.9° |
| H27 | C45 | C46 | H29 | 171.8° | 63.2° |
