EX6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL57 | C56 | sing | 1.74Å | 1.73Å | |
| C58 | C56 | doub | 1.38Å | 1.37Å | Aromatic |
| C58 | C60 | sing | 1.38Å | 1.38Å | Aromatic |
| CL61 | C60 | sing | 1.74Å | 1.72Å | |
| C56 | C54 | sing | 1.38Å | 1.38Å | Aromatic |
| C60 | C62 | doub | 1.38Å | 1.38Å | Aromatic |
| C54 | C53 | doub | 1.38Å | 1.38Å | Aromatic |
| C62 | C53 | sing | 1.38Å | 1.38Å | Aromatic |
| C53 | C6 | sing | 1.51Å | 1.50Å | |
| C3 | C6 | sing | 1.53Å | 1.50Å | |
| C3 | O2 | sing | 1.43Å | 1.42Å | |
| C47 | C45 | doub | 1.38Å | 1.38Å | Aromatic |
| C47 | C49 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | O8 | sing | 1.43Å | 1.43Å | |
| C45 | C43 | sing | 1.38Å | 1.38Å | Aromatic |
| C49 | C51 | doub | 1.38Å | 1.38Å | Aromatic |
| O8 | C9 | sing | 1.43Å | 1.44Å | |
| C43 | C42 | doub | 1.38Å | 1.38Å | Aromatic |
| C51 | C42 | sing | 1.38Å | 1.38Å | Aromatic |
| C42 | C40 | sing | 1.51Å | 1.50Å | |
| C9 | C11 | sing | 1.53Å | 1.51Å | |
| C9 | C40 | sing | 1.53Å | 1.52Å | |
| C11 | C14 | sing | 1.53Å | 1.51Å | |
| C40 | N20 | sing | 1.47Å | 1.51Å | |
| C14 | C17 | sing | 1.53Å | 1.51Å | |
| N20 | C17 | sing | 1.47Å | 1.50Å | |
| N20 | C22 | sing | 1.47Å | 1.50Å | |
| C22 | C25 | sing | 1.51Å | 1.50Å | |
| C26 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C33 | sing | 1.39Å | 1.40Å | Aromatic |
| C28 | C30 | doub | 1.40Å | 1.38Å | Aromatic |
| C33 | N34 | sing | 1.40Å | 1.41Å | |
| C33 | C31 | doub | 1.39Å | 1.38Å | Aromatic |
| C30 | C31 | sing | 1.40Å | 1.38Å | Aromatic |
| C30 | C37 | sing | 1.48Å | 1.49Å | |
| O39 | C37 | doub | 1.22Å | 1.27Å | |
| C37 | O38 | sing | 1.35Å | 1.26Å | |
| C47 | H1 | sing | 1.08Å | 1.08Å | |
| C45 | H2 | sing | 1.08Å | 1.08Å | |
| C49 | H3 | sing | 1.08Å | 1.08Å | |
| C28 | H4 | sing | 1.08Å | 1.08Å | |
| C43 | H5 | sing | 1.08Å | 1.08Å | |
| C51 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.08Å | 1.08Å | |
| C31 | H8 | sing | 1.08Å | 1.08Å | |
| C54 | H9 | sing | 1.08Å | 1.08Å | |
| C62 | H10 | sing | 1.08Å | 1.08Å | |
| C58 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C40 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.09Å | 1.10Å | |
| C6 | H24 | sing | 1.09Å | 1.10Å | |
| N34 | H25 | sing | 0.97Å | 1.00Å | |
| N34 | H26 | sing | 0.97Å | 1.00Å | |
| O38 | H28 | sing | 0.97Å | 0.95Å | |
| O2 | H29 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL57 | C56 | C58 | 119.0° | 120.0° |
| CL57 | C56 | C54 | 121.2° | 120.1° |
| C56 | C58 | C60 | 119.5° | 119.9° |
| C58 | C56 | C54 | 119.9° | 120.0° |
| C56 | C58 | H11 | 120.2° | 120.0° |
| C58 | C60 | CL61 | 120.0° | 119.9° |
| C58 | C60 | C62 | 121.0° | 120.0° |
| C60 | C58 | H11 | 120.3° | 120.0° |
| CL61 | C60 | C62 | 119.0° | 120.0° |
| C56 | C54 | C53 | 120.7° | 120.0° |
| C56 | C54 | H9 | 119.6° | 120.0° |
| C60 | C62 | C53 | 119.5° | 120.0° |
| C60 | C62 | H10 | 120.2° | 120.0° |
| C54 | C53 | C62 | 119.4° | 120.1° |
| C54 | C53 | C6 | 119.5° | 119.9° |
| C53 | C54 | H9 | 119.6° | 120.0° |
| C62 | C53 | C6 | 121.1° | 120.0° |
| C53 | C62 | H10 | 120.2° | 120.0° |
| C53 | C6 | C3 | 111.0° | 109.5° |
| C53 | C6 | O8 | 112.6° | 109.4° |
| C53 | C6 | H24 | 109.0° | 109.5° |
| C6 | C3 | O2 | 107.0° | 109.5° |
| C3 | C6 | O8 | 105.5° | 109.5° |
| C6 | C3 | H22 | 110.1° | 109.5° |
| C6 | C3 | H23 | 110.1° | 109.5° |
| C3 | C6 | H24 | 108.9° | 109.5° |
| O2 | C3 | H22 | 110.1° | 109.4° |
| O2 | C3 | H23 | 110.1° | 109.4° |
| C3 | O2 | H29 | 109.5° | 114.0° |
| C45 | C47 | C49 | 119.8° | 120.0° |
| C47 | C45 | C43 | 120.3° | 120.0° |
| C45 | C47 | H1 | 120.1° | 120.0° |
| C47 | C45 | H2 | 119.9° | 120.0° |
| C47 | C49 | C51 | 119.7° | 120.0° |
| C49 | C47 | H1 | 120.1° | 120.0° |
| C47 | C49 | H3 | 120.1° | 120.0° |
| C6 | O8 | C9 | 119.0° | 114.0° |
| O8 | C6 | H24 | 109.9° | 109.5° |
| C45 | C43 | C42 | 120.0° | 120.0° |
| C43 | C45 | H2 | 119.8° | 120.0° |
| C45 | C43 | H5 | 120.0° | 120.0° |
| C49 | C51 | C42 | 121.1° | 120.0° |
| C51 | C49 | H3 | 120.2° | 120.0° |
| C49 | C51 | H6 | 119.5° | 120.0° |
| O8 | C9 | C11 | 111.6° | 109.5° |
| O8 | C9 | C40 | 105.5° | 109.5° |
| O8 | C9 | H19 | 110.2° | 109.5° |
| C43 | C42 | C51 | 119.1° | 119.9° |
| C43 | C42 | C40 | 122.2° | 120.1° |
| C42 | C43 | H5 | 120.0° | 119.9° |
| C51 | C42 | C40 | 118.6° | 120.0° |
| C42 | C51 | H6 | 119.4° | 120.0° |
| C42 | C40 | C9 | 108.2° | 109.5° |
| C42 | C40 | N20 | 118.1° | 109.5° |
| C42 | C40 | H18 | 106.6° | 109.4° |
| C11 | C9 | C40 | 111.2° | 109.3° |
| C9 | C11 | C14 | 108.9° | 109.1° |
| C9 | C11 | H14 | 109.6° | 109.6° |
| C9 | C11 | H15 | 109.6° | 109.6° |
| C11 | C9 | H19 | 109.2° | 109.5° |
| C9 | C40 | N20 | 110.3° | 109.5° |
| C9 | C40 | H18 | 106.4° | 109.4° |
| C40 | C9 | H19 | 109.0° | 109.5° |
| C11 | C14 | C17 | 112.6° | 109.3° |
| C11 | C14 | H12 | 108.7° | 109.5° |
| C11 | C14 | H13 | 108.7° | 109.5° |
| C14 | C11 | H14 | 109.6° | 109.5° |
| C14 | C11 | H15 | 109.6° | 109.5° |
| C40 | N20 | C17 | 111.4° | 111.2° |
| C40 | N20 | C22 | 112.0° | 111.0° |
| N20 | C40 | H18 | 106.5° | 109.5° |
| C14 | C17 | N20 | 113.4° | 109.5° |
| C17 | C14 | H12 | 108.7° | 109.5° |
| C17 | C14 | H13 | 108.7° | 109.5° |
| C14 | C17 | H16 | 108.5° | 109.4° |
| C14 | C17 | H17 | 108.5° | 109.4° |
| C17 | N20 | C22 | 109.4° | 111.0° |
| N20 | C17 | H16 | 108.5° | 109.5° |
| N20 | C17 | H17 | 108.5° | 109.5° |
| N20 | C22 | C25 | 115.3° | 109.5° |
| N20 | C22 | H20 | 108.0° | 109.5° |
| N20 | C22 | H21 | 108.0° | 109.5° |
| C22 | C25 | C26 | 116.2° | 119.9° |
| C22 | C25 | C33 | 124.7° | 119.8° |
| C25 | C22 | H20 | 108.0° | 109.4° |
| C25 | C22 | H21 | 108.0° | 109.5° |
| C25 | C26 | C28 | 121.0° | 120.3° |
| C26 | C25 | C33 | 119.0° | 120.2° |
| C25 | C26 | H7 | 119.5° | 119.8° |
| C26 | C28 | C30 | 120.4° | 120.0° |
| C26 | C28 | H4 | 119.8° | 120.0° |
| C28 | C26 | H7 | 119.5° | 119.9° |
| C25 | C33 | N34 | 124.2° | 120.0° |
| C25 | C33 | C31 | 119.4° | 120.0° |
| C28 | C30 | C31 | 118.7° | 119.8° |
| C28 | C30 | C37 | 120.3° | 120.1° |
| C30 | C28 | H4 | 119.8° | 120.0° |
| N34 | C33 | C31 | 116.5° | 120.0° |
| C33 | N34 | H25 | 109.5° | 120.0° |
| C33 | N34 | H26 | 109.4° | 120.0° |
| C33 | C31 | C30 | 121.5° | 119.8° |
| C33 | C31 | H8 | 119.3° | 120.1° |
| C31 | C30 | C37 | 121.0° | 120.1° |
| C30 | C31 | H8 | 119.3° | 120.1° |
| C30 | C37 | O39 | 118.7° | 120.0° |
| C30 | C37 | O38 | 115.4° | 120.0° |
| O39 | C37 | O38 | 125.8° | 120.0° |
| C37 | O38 | H28 | 109.5° | 117.0° |
| H12 | C14 | H13 | 109.5° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.5° |
| H16 | C17 | H17 | 109.4° | 109.5° |
| H20 | C22 | H21 | 109.5° | 109.5° |
| H22 | C3 | H23 | 109.5° | 109.5° |
| H25 | N34 | H26 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL57 | C56 | C58 | C54 | 179.6° | 180.0° |
| CL57 | C56 | C58 | C60 | 179.1° | 179.5° |
| CL57 | C56 | C54 | C53 | 179.7° | 180.0° |
| CL57 | C56 | C54 | H9 | 0.3° | 0.2° |
| CL57 | C56 | C58 | H11 | 0.9° | 0.0° |
| C56 | C58 | C60 | H11 | 180.0° | 179.5° |
| C56 | C58 | C60 | CL61 | 179.5° | 180.0° |
| C56 | C58 | C60 | C62 | 0.8° | 0.8° |
| C58 | C56 | C54 | C53 | 0.1° | 0.0° |
| C58 | C56 | C54 | H9 | 179.9° | 179.8° |
| C58 | C60 | CL61 | C62 | 178.8° | 179.2° |
| C60 | C58 | C56 | C54 | 0.5° | 0.5° |
| C58 | C60 | C62 | C53 | 0.5° | 0.6° |
| C58 | C60 | C62 | H10 | 179.5° | 179.5° |
| CL61 | C60 | C62 | C53 | 179.3° | 179.8° |
| CL61 | C60 | C62 | H10 | 0.8° | 0.3° |
| CL61 | C60 | C58 | H11 | 0.5° | 0.5° |
| C56 | C54 | C53 | H9 | 180.0° | 179.8° |
| C56 | C54 | C53 | C62 | 0.4° | 0.2° |
| C56 | C54 | C53 | C6 | 178.6° | 179.8° |
| C54 | C56 | C58 | H11 | 179.5° | 180.0° |
| C60 | C62 | C53 | C54 | 0.1° | 0.1° |
| C60 | C62 | C53 | H10 | 180.0° | 179.9° |
| C60 | C62 | C53 | C6 | 178.9° | 179.9° |
| C62 | C60 | C58 | H11 | 179.2° | 179.7° |
| C54 | C53 | C62 | C6 | 179.0° | 180.0° |
| C54 | C53 | C6 | C3 | 103.5° | 100.0° |
| C54 | C53 | C6 | O8 | 138.6° | 140.0° |
| C54 | C53 | C62 | H10 | 179.9° | 180.0° |
| C54 | C53 | C6 | H24 | 16.4° | 20.0° |
| C62 | C53 | C6 | C3 | 77.6° | 80.0° |
| C62 | C53 | C6 | O8 | 40.4° | 40.0° |
| C62 | C53 | C54 | H9 | 179.6° | 180.0° |
| C62 | C53 | C6 | H24 | 162.6° | 160.0° |
| C53 | C6 | C3 | O8 | 122.2° | 120.0° |
| C53 | C6 | C3 | H24 | 119.9° | 120.0° |
| C53 | C6 | C3 | O2 | 167.8° | 55.9° |
| C53 | C6 | O8 | H24 | 121.6° | 120.0° |
| C53 | C6 | O8 | C9 | 60.4° | 145.3° |
| C6 | C53 | C54 | H9 | 1.4° | 0.0° |
| C6 | C53 | C62 | H10 | 1.1° | 0.0° |
| C53 | C6 | C3 | H22 | 48.2° | 175.9° |
| C53 | C6 | C3 | H23 | 72.6° | 64.1° |
| C6 | C3 | O2 | H22 | 119.6° | 120.0° |
| C6 | C3 | O2 | H23 | 119.6° | 120.0° |
| C3 | C6 | O8 | H24 | 117.2° | 120.0° |
| C3 | C6 | O8 | C9 | 178.5° | 94.7° |
| C6 | C3 | H22 | H23 | 121.1° | 120.0° |
| C6 | C3 | O2 | H29 | 180.0° | 180.0° |
| O2 | C3 | C6 | O8 | 69.9° | 64.1° |
| O2 | C3 | H22 | H23 | 121.1° | 119.9° |
| O2 | C3 | C6 | H24 | 47.9° | 175.9° |
| C45 | C47 | C49 | H1 | 180.0° | 179.7° |
| C47 | C45 | C43 | H2 | 180.0° | 180.0° |
| C45 | C47 | C49 | C51 | 0.7° | 0.0° |
| C47 | C45 | C43 | C42 | 0.8° | 0.0° |
| C45 | C47 | C49 | H3 | 179.3° | 179.9° |
| C47 | C45 | C43 | H5 | 179.1° | 179.9° |
| C49 | C47 | C45 | C43 | 0.3° | 0.0° |
| C47 | C49 | C51 | H3 | 180.0° | 179.9° |
| C47 | C49 | C51 | C42 | 1.2° | 0.0° |
| C49 | C47 | C45 | H2 | 179.7° | 180.0° |
| C47 | C49 | C51 | H6 | 178.8° | 180.0° |
| C6 | O8 | C9 | C11 | 67.1° | 94.9° |
| C6 | O8 | C9 | C40 | 172.0° | 145.2° |
| C6 | O8 | C9 | H19 | 54.4° | 25.2° |
| O8 | C6 | C3 | H22 | 170.4° | 55.9° |
| O8 | C6 | C3 | H23 | 49.7° | 175.9° |
| C45 | C43 | C42 | H5 | 180.0° | 180.0° |
| C45 | C43 | C42 | C51 | 0.4° | 0.0° |
| C45 | C43 | C42 | C40 | 177.6° | 180.0° |
| C43 | C45 | C47 | H1 | 179.7° | 179.7° |
| C49 | C51 | C42 | C43 | 0.6° | 0.0° |
| C49 | C51 | C42 | H6 | 180.0° | 180.0° |
| C49 | C51 | C42 | C40 | 178.6° | 180.0° |
| C51 | C49 | C47 | H1 | 179.3° | 179.7° |
| O8 | C9 | C40 | C42 | 69.1° | 59.2° |
| O8 | C9 | C11 | C40 | 117.5° | 120.0° |
| O8 | C9 | C11 | H19 | 122.1° | 120.1° |
| O8 | C9 | C40 | H19 | 118.3° | 120.0° |
| O8 | C9 | C11 | C14 | 58.2° | 62.3° |
| O8 | C9 | C40 | N20 | 61.5° | 60.8° |
| O8 | C9 | C11 | H14 | 178.1° | 57.6° |
| O8 | C9 | C11 | H15 | 61.7° | 177.8° |
| O8 | C9 | C40 | H18 | 176.6° | 179.2° |
| C9 | O8 | C6 | H24 | 61.3° | 25.3° |
| C43 | C42 | C51 | C40 | 178.0° | 179.9° |
| C43 | C42 | C40 | C9 | 78.9° | 107.8° |
| C43 | C42 | C40 | N20 | 47.2° | 132.1° |
| C42 | C43 | C45 | H2 | 179.1° | 180.0° |
| C43 | C42 | C51 | H6 | 179.3° | 180.0° |
| C43 | C42 | C40 | H18 | 167.0° | 12.2° |
| C51 | C42 | C40 | C9 | 99.0° | 72.3° |
| C51 | C42 | C40 | N20 | 134.8° | 47.8° |
| C42 | C51 | C49 | H3 | 178.8° | 179.9° |
| C51 | C42 | C43 | H5 | 179.6° | 179.9° |
| C51 | C42 | C40 | H18 | 15.1° | 167.8° |
| C42 | C40 | C9 | C11 | 169.7° | 179.2° |
| C42 | C40 | C9 | N20 | 130.6° | 120.1° |
| C42 | C40 | C9 | H18 | 114.2° | 120.0° |
| C42 | C40 | N20 | H18 | 119.8° | 120.0° |
| C42 | C40 | N20 | C17 | 179.2° | 178.2° |
| C42 | C40 | N20 | C22 | 57.9° | 54.1° |
| C40 | C42 | C43 | H5 | 2.5° | 0.0° |
| C40 | C42 | C51 | H6 | 1.3° | 0.1° |
| C42 | C40 | C9 | H19 | 49.2° | 60.8° |
| C11 | C9 | C40 | H19 | 120.5° | 120.0° |
| C9 | C11 | C14 | H14 | 119.9° | 119.9° |
| C9 | C11 | C14 | H15 | 119.9° | 119.9° |
| C11 | C9 | C40 | N20 | 59.7° | 59.2° |
| C9 | C11 | C14 | C17 | 54.8° | 57.6° |
| C9 | C11 | C14 | H12 | 175.2° | 177.6° |
| C9 | C11 | C14 | H13 | 65.7° | 62.4° |
| C9 | C11 | H14 | H15 | 120.3° | 120.3° |
| C11 | C9 | C40 | H18 | 55.4° | 60.8° |
| C40 | C9 | C11 | C14 | 59.3° | 57.6° |
| C9 | C40 | N20 | H18 | 115.1° | 120.0° |
| C9 | C40 | N20 | C17 | 54.1° | 61.7° |
| C9 | C40 | N20 | C22 | 176.9° | 174.2° |
| C40 | C9 | C11 | H14 | 60.6° | 177.6° |
| C40 | C9 | C11 | H15 | 179.2° | 62.2° |
| C11 | C14 | C17 | H12 | 120.5° | 119.9° |
| C11 | C14 | C17 | H13 | 120.5° | 120.0° |
| C11 | C14 | C17 | N20 | 51.5° | 59.2° |
| C11 | C14 | H12 | H13 | 118.5° | 120.1° |
| C14 | C11 | H14 | H15 | 120.3° | 120.1° |
| C11 | C14 | C17 | H16 | 69.1° | 60.8° |
| C11 | C14 | C17 | H17 | 172.1° | 179.2° |
| C14 | C11 | C9 | H19 | 179.7° | 177.6° |
| C40 | N20 | C17 | C14 | 50.5° | 61.7° |
| C40 | N20 | C17 | C22 | 124.4° | 124.1° |
| C40 | N20 | C22 | C25 | 166.8° | 176.0° |
| C40 | N20 | C17 | H16 | 70.1° | 58.2° |
| C40 | N20 | C17 | H17 | 171.1° | 178.2° |
| N20 | C40 | C9 | H19 | 179.8° | 179.2° |
| C40 | N20 | C22 | H20 | 46.0° | 64.0° |
| C40 | N20 | C22 | H21 | 72.3° | 56.0° |
| C14 | C17 | N20 | H16 | 120.6° | 120.0° |
| C14 | C17 | N20 | H17 | 120.6° | 120.0° |
| C14 | C17 | N20 | C22 | 174.9° | 174.2° |
| C17 | C14 | H12 | H13 | 118.6° | 120.1° |
| C17 | C14 | C11 | H14 | 65.1° | 177.6° |
| C17 | C14 | C11 | H15 | 174.7° | 62.3° |
| C14 | C17 | H16 | H17 | 118.2° | 119.9° |
| C17 | N20 | C22 | C25 | 69.2° | 59.8° |
| N20 | C17 | C14 | H12 | 172.0° | 179.1° |
| N20 | C17 | C14 | H13 | 68.9° | 60.8° |
| N20 | C17 | H16 | H17 | 118.2° | 120.1° |
| C17 | N20 | C40 | H18 | 61.0° | 58.3° |
| C17 | N20 | C22 | H20 | 170.0° | 60.2° |
| C17 | N20 | C22 | H21 | 51.7° | 179.8° |
| N20 | C22 | C25 | H20 | 120.8° | 120.0° |
| N20 | C22 | C25 | H21 | 120.8° | 120.0° |
| N20 | C22 | C25 | C26 | 82.0° | 99.9° |
| N20 | C22 | C25 | C33 | 97.7° | 80.1° |
| C22 | N20 | C17 | H16 | 54.3° | 65.9° |
| C22 | N20 | C17 | H17 | 64.5° | 54.1° |
| C22 | N20 | C40 | H18 | 61.8° | 65.8° |
| N20 | C22 | H20 | H21 | 117.4° | 120.0° |
| C22 | C25 | C26 | C33 | 179.7° | 180.0° |
| C22 | C25 | C26 | C28 | 179.4° | 180.0° |
| C22 | C25 | C33 | N34 | 0.2° | 0.0° |
| C22 | C25 | C33 | C31 | 179.2° | 179.7° |
| C22 | C25 | C26 | H7 | 0.5° | 0.0° |
| C25 | C22 | H20 | H21 | 117.4° | 120.0° |
| C25 | C26 | C28 | H7 | 180.0° | 180.0° |
| C25 | C26 | C28 | C30 | 0.1° | 0.0° |
| C26 | C25 | C33 | N34 | 179.5° | 180.0° |
| C26 | C25 | C33 | C31 | 0.5° | 0.3° |
| C25 | C26 | C28 | H4 | 179.9° | 179.7° |
| C26 | C25 | C22 | H20 | 38.9° | 20.1° |
| C26 | C25 | C22 | H21 | 157.2° | 140.1° |
| C28 | C26 | C25 | C33 | 0.3° | 0.0° |
| C26 | C28 | C30 | H4 | 180.0° | 179.8° |
| C26 | C28 | C30 | C31 | 0.2° | 0.2° |
| C26 | C28 | C30 | C37 | 178.6° | 179.7° |
| C25 | C33 | N34 | C31 | 179.1° | 179.7° |
| C25 | C33 | C31 | C30 | 0.4° | 0.6° |
| C33 | C25 | C26 | H7 | 179.7° | 180.0° |
| C25 | C33 | C31 | H8 | 179.6° | 180.0° |
| C33 | C25 | C22 | H20 | 141.4° | 159.9° |
| C33 | C25 | C22 | H21 | 23.1° | 39.9° |
| C25 | C33 | N34 | H25 | 180.0° | 8.1° |
| C25 | C33 | N34 | H26 | 60.0° | 171.9° |
| C28 | C30 | C31 | C33 | 0.1° | 0.5° |
| C28 | C30 | C31 | C37 | 178.8° | 180.0° |
| C28 | C30 | C37 | O39 | 23.7° | 180.0° |
| C28 | C30 | C37 | O38 | 154.4° | 0.0° |
| C30 | C28 | C26 | H7 | 179.9° | 180.0° |
| C28 | C30 | C31 | H8 | 179.9° | 180.0° |
| N34 | C33 | C31 | C30 | 179.5° | 179.7° |
| N34 | C33 | C31 | H8 | 0.5° | 0.3° |
| C33 | N34 | H25 | H26 | 120.0° | 180.0° |
| C33 | C31 | C30 | H8 | 180.0° | 179.5° |
| C33 | C31 | C30 | C37 | 178.8° | 179.4° |
| C31 | C33 | N34 | H25 | 0.9° | 172.2° |
| C31 | C33 | N34 | H26 | 121.0° | 7.8° |
| C31 | C30 | C37 | O39 | 157.6° | 0.0° |
| C31 | C30 | C37 | O38 | 24.3° | 180.0° |
| C31 | C30 | C28 | H4 | 179.8° | 180.0° |
| C30 | C37 | O39 | O38 | 177.9° | 179.9° |
| C37 | C30 | C28 | H4 | 1.4° | 0.0° |
| C37 | C30 | C31 | H8 | 1.2° | 0.0° |
| C30 | C37 | O38 | H28 | 177.9° | 180.0° |
| O39 | C37 | O38 | H28 | 0.0° | 0.1° |
| H1 | C47 | C45 | H2 | 0.3° | 0.3° |
| H1 | C47 | C49 | H3 | 0.7° | 0.2° |
| H2 | C45 | C43 | H5 | 0.9° | 0.0° |
| H3 | C49 | C51 | H6 | 1.2° | 0.0° |
| H4 | C28 | C26 | H7 | 0.1° | 0.3° |
| H12 | C14 | C11 | H14 | 55.3° | 62.5° |
| H12 | C14 | C11 | H15 | 64.9° | 57.6° |
| H12 | C14 | C17 | H16 | 51.4° | 59.1° |
| H12 | C14 | C17 | H17 | 67.4° | 60.8° |
| H13 | C14 | C11 | H14 | 174.4° | 57.6° |
| H13 | C14 | C11 | H15 | 54.2° | 177.7° |
| H13 | C14 | C17 | H16 | 170.5° | 179.2° |
| H13 | C14 | C17 | H17 | 51.6° | 59.2° |
| H14 | C11 | C9 | H19 | 59.8° | 62.5° |
| H15 | C11 | C9 | H19 | 60.4° | 57.7° |
| H18 | C40 | C9 | H19 | 65.0° | 59.2° |
| H22 | C3 | C6 | H24 | 71.7° | 64.1° |
| H22 | C3 | O2 | H29 | 60.4° | 60.0° |
| H23 | C3 | C6 | H24 | 167.5° | 55.9° |
| H23 | C3 | O2 | H29 | 60.4° | 60.0° |
