JSD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| RU | C11 | sing | 2.19Å | 2.21Å | |
| RU | C12 | sing | 2.19Å | 2.19Å | |
| RU | C13 | sing | 2.19Å | 2.19Å | |
| RU | C14 | sing | 2.18Å | 2.18Å | |
| RU | C15 | sing | 2.18Å | 2.20Å | |
| RU | C16 | sing | 2.18Å | 2.20Å | |
| RU | C17 | sing | 2.18Å | 2.18Å | |
| RU | C18 | sing | 2.19Å | 2.16Å | |
| RU | C19 | sing | 2.20Å | 2.18Å | |
| RU | C20 | sing | 2.19Å | 2.19Å | |
| C11 | C12 | doub | 1.41Å | 1.39Å | |
| C11 | C15 | sing | 1.40Å | 1.38Å | |
| C12 | C13 | sing | 1.40Å | 1.38Å | |
| C13 | C14 | doub | 1.41Å | 1.38Å | |
| C14 | C15 | sing | 1.41Å | 1.37Å | |
| C16 | C17 | doub | 1.41Å | 1.38Å | |
| C16 | C20 | sing | 1.40Å | 1.39Å | |
| C17 | C18 | sing | 1.39Å | 1.40Å | |
| C18 | C19 | doub | 1.39Å | 1.40Å | |
| C18 | C24 | sing | 1.47Å | 1.49Å | |
| C19 | C20 | sing | 1.40Å | 1.39Å | |
| C24 | C25 | sing | 1.51Å | 1.52Å | |
| C24 | O28 | doub | 1.22Å | 1.22Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | C27 | sing | 1.51Å | 1.52Å | |
| C27 | O29 | doub | 1.24Å | 1.23Å | |
| C27 | N30 | sing | 1.36Å | 1.33Å | |
| N30 | C31 | sing | 1.46Å | 1.46Å | |
| C31 | C34 | sing | 1.52Å | 1.56Å | |
| N33 | C34 | sing | 1.48Å | 1.45Å | |
| N33 | C51 | sing | 1.47Å | 1.44Å | |
| C34 | S49 | sing | 1.83Å | 1.79Å | |
| S49 | C50 | sing | 1.85Å | 1.78Å | |
| C50 | C51 | sing | 1.58Å | 1.55Å | |
| C50 | C52 | sing | 1.53Å | 1.54Å | |
| C50 | C53 | sing | 1.53Å | 1.54Å | |
| C51 | C63 | sing | 1.52Å | 1.48Å | |
| C63 | O64 | doub | 1.22Å | 1.21Å | |
| C63 | O65 | sing | 1.32Å | 1.30Å | |
| C25 | H10 | sing | 0.98Å | 1.10Å | |
| C25 | H11 | sing | 0.98Å | 1.10Å | |
| C26 | H12 | sing | 0.98Å | 1.10Å | |
| C26 | H13 | sing | 0.98Å | 1.10Å | |
| N30 | H14 | sing | 0.87Å | 1.00Å | |
| C31 | H15 | sing | 0.98Å | 1.10Å | |
| C31 | H16 | sing | 0.98Å | 1.10Å | |
| N33 | H17 | sing | 0.88Å | 1.00Å | |
| C34 | H19 | sing | 0.99Å | 1.10Å | |
| C51 | H20 | sing | 0.99Å | 1.10Å | |
| C52 | H21 | sing | 0.98Å | 1.10Å | |
| C52 | H22 | sing | 0.97Å | 1.10Å | |
| C52 | H23 | sing | 0.97Å | 1.10Å | |
| C53 | H24 | sing | 0.97Å | 1.10Å | |
| C53 | H25 | sing | 0.97Å | 1.10Å | |
| C53 | H26 | sing | 0.97Å | 1.10Å | |
| O65 | H27 | sing | 0.88Å | 0.95Å | |
| H1 | C11 | sing | 0.94Å | 1.10Å | |
| H2 | C12 | sing | 0.94Å | 1.10Å | |
| H3 | C13 | sing | 0.94Å | 1.10Å | |
| H4 | C14 | sing | 0.94Å | 1.10Å | |
| H5 | C15 | sing | 0.94Å | 1.10Å | |
| H6 | C16 | sing | 0.94Å | 1.10Å | |
| H7 | C17 | sing | 0.94Å | 1.10Å | |
| H8 | C19 | sing | 0.94Å | 1.10Å | |
| H9 | C20 | sing | 0.94Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | RU | C12 | 36.8° | 37.7° |
| C11 | RU | C13 | 61.3° | 62.8° |
| C11 | RU | C14 | 61.5° | 62.6° |
| C11 | RU | C15 | 36.6° | 37.3° |
| C11 | RU | C16 | 112.8° | 131.5° |
| C11 | RU | C17 | 120.9° | 151.8° |
| C11 | RU | C18 | 151.4° | 165.6° |
| C11 | RU | C19 | 168.5° | 144.8° |
| C11 | RU | C20 | 132.5° | 128.5° |
| RU | C11 | C12 | 70.9° | 71.2° |
| RU | C11 | C15 | 71.3° | 71.1° |
| RU | C11 | H1 | 111.3° | 123.3° |
| C12 | RU | C13 | 36.9° | 37.3° |
| C12 | RU | C14 | 61.8° | 62.5° |
| C12 | RU | C15 | 61.2° | 62.8° |
| C12 | RU | C16 | 121.5° | 154.0° |
| C12 | RU | C17 | 150.4° | 134.4° |
| C12 | RU | C18 | 171.1° | 129.2° |
| C12 | RU | C19 | 135.3° | 143.1° |
| C12 | RU | C20 | 115.4° | 163.1° |
| RU | C12 | C11 | 72.4° | 71.1° |
| RU | C12 | C13 | 71.5° | 71.2° |
| RU | C12 | H2 | 111.5° | 123.3° |
| C13 | RU | C14 | 37.0° | 37.7° |
| C13 | RU | C15 | 61.0° | 63.2° |
| C13 | RU | C16 | 152.8° | 120.4° |
| C13 | RU | C17 | 170.3° | 98.8° |
| C13 | RU | C18 | 136.2° | 110.5° |
| C13 | RU | C19 | 118.0° | 146.0° |
| C13 | RU | C20 | 125.2° | 157.7° |
| RU | C13 | C12 | 71.6° | 71.6° |
| RU | C13 | C14 | 71.2° | 70.9° |
| RU | C13 | H3 | 111.3° | 123.4° |
| C14 | RU | C15 | 36.6° | 37.8° |
| C14 | RU | C16 | 167.1° | 91.4° |
| C14 | RU | C17 | 134.1° | 89.6° |
| C14 | RU | C18 | 116.3° | 120.9° |
| C14 | RU | C19 | 125.8° | 150.3° |
| C14 | RU | C20 | 155.6° | 124.9° |
| RU | C14 | C13 | 71.9° | 71.3° |
| RU | C14 | C15 | 72.5° | 71.2° |
| RU | C14 | H4 | 111.6° | 122.7° |
| C15 | RU | C16 | 131.9° | 97.1° |
| C15 | RU | C17 | 114.3° | 116.5° |
| C15 | RU | C18 | 123.2° | 153.5° |
| C15 | RU | C19 | 154.6° | 149.1° |
| C15 | RU | C20 | 166.6° | 112.5° |
| RU | C15 | C11 | 72.1° | 71.6° |
| RU | C15 | C14 | 70.9° | 71.0° |
| RU | C15 | H5 | 110.9° | 123.3° |
| C16 | RU | C17 | 36.8° | 37.7° |
| C16 | RU | C18 | 62.5° | 62.8° |
| C16 | RU | C19 | 62.0° | 61.9° |
| C16 | RU | C20 | 36.9° | 37.3° |
| RU | C16 | C17 | 70.8° | 71.0° |
| RU | C16 | C20 | 71.3° | 71.6° |
| RU | C16 | H6 | 111.4° | 122.5° |
| C17 | RU | C18 | 37.5° | 37.1° |
| C17 | RU | C19 | 62.0° | 61.6° |
| C17 | RU | C20 | 61.4° | 62.5° |
| RU | C17 | C16 | 72.4° | 71.2° |
| RU | C17 | C18 | 70.7° | 71.9° |
| RU | C17 | H7 | 111.2° | 122.2° |
| C18 | RU | C19 | 37.5° | 37.1° |
| C18 | RU | C20 | 62.3° | 62.7° |
| RU | C18 | C17 | 71.8° | 71.0° |
| RU | C18 | C19 | 72.1° | 71.7° |
| RU | C18 | C24 | 116.8° | 123.6° |
| C19 | RU | C20 | 37.1° | 37.2° |
| RU | C19 | C18 | 70.4° | 71.2° |
| RU | C19 | C20 | 71.8° | 71.1° |
| RU | C19 | H8 | 111.6° | 122.5° |
| RU | C20 | C16 | 71.8° | 71.1° |
| RU | C20 | C19 | 71.2° | 71.7° |
| RU | C20 | H9 | 111.2° | 123.6° |
| C12 | C11 | C15 | 107.4° | 108.2° |
| C11 | C12 | C13 | 107.9° | 108.3° |
| C12 | C11 | H1 | 125.3° | 125.9° |
| C11 | C12 | H2 | 125.4° | 125.9° |
| C11 | C15 | C14 | 108.7° | 107.7° |
| C15 | C11 | H1 | 125.4° | 125.9° |
| C11 | C15 | H5 | 124.6° | 126.2° |
| C12 | C13 | C14 | 108.2° | 107.7° |
| C13 | C12 | H2 | 125.4° | 125.9° |
| C12 | C13 | H3 | 125.0° | 126.2° |
| C13 | C14 | C15 | 107.7° | 108.2° |
| C14 | C13 | H3 | 125.0° | 126.1° |
| C13 | C14 | H4 | 125.4° | 125.9° |
| C15 | C14 | H4 | 125.7° | 125.9° |
| C14 | C15 | H5 | 124.9° | 126.1° |
| C17 | C16 | C20 | 107.4° | 107.6° |
| C16 | C17 | C18 | 109.1° | 108.7° |
| C17 | C16 | H6 | 125.5° | 126.2° |
| C16 | C17 | H7 | 124.8° | 126.1° |
| C16 | C20 | C19 | 108.7° | 107.3° |
| C20 | C16 | H6 | 125.3° | 126.2° |
| C16 | C20 | H9 | 124.8° | 126.3° |
| C17 | C18 | C19 | 107.0° | 106.9° |
| C17 | C18 | C24 | 125.7° | 124.0° |
| C18 | C17 | H7 | 124.4° | 125.2° |
| C19 | C18 | C24 | 126.9° | 129.0° |
| C18 | C19 | C20 | 107.7° | 109.4° |
| C18 | C19 | H8 | 125.1° | 125.3° |
| C18 | C24 | C25 | 117.6° | 123.2° |
| C18 | C24 | O28 | 119.3° | 120.1° |
| C20 | C19 | H8 | 125.4° | 125.2° |
| C19 | C20 | H9 | 124.8° | 126.4° |
| C25 | C24 | O28 | 122.4° | 116.7° |
| C24 | C25 | C26 | 112.7° | 113.4° |
| C24 | C25 | H10 | 108.7° | 108.9° |
| C24 | C25 | H11 | 108.7° | 109.1° |
| C25 | C26 | C27 | 111.6° | 113.9° |
| C26 | C25 | H10 | 108.7° | 108.8° |
| C26 | C25 | H11 | 108.6° | 109.0° |
| C25 | C26 | H12 | 108.9° | 108.2° |
| C25 | C26 | H13 | 108.9° | 108.4° |
| C26 | C27 | O29 | 120.1° | 120.3° |
| C26 | C27 | N30 | 118.0° | 117.0° |
| C27 | C26 | H12 | 108.9° | 109.0° |
| C27 | C26 | H13 | 109.0° | 109.3° |
| O29 | C27 | N30 | 121.7° | 122.8° |
| C27 | N30 | C31 | 120.6° | 127.5° |
| C27 | N30 | H14 | 119.7° | 118.5° |
| N30 | C31 | C34 | 112.6° | 113.5° |
| C31 | N30 | H14 | 119.7° | 114.0° |
| N30 | C31 | H15 | 108.7° | 108.8° |
| N30 | C31 | H16 | 108.7° | 109.3° |
| C31 | C34 | N33 | 112.0° | 113.9° |
| C31 | C34 | S49 | 108.9° | 110.1° |
| C34 | C31 | H15 | 108.7° | 108.8° |
| C34 | C31 | H16 | 108.7° | 108.9° |
| C31 | C34 | H19 | 109.7° | 108.9° |
| C34 | N33 | C51 | 113.9° | 113.6° |
| N33 | C34 | S49 | 107.9° | 106.0° |
| C34 | N33 | H17 | 108.4° | 112.9° |
| N33 | C34 | H19 | 111.1° | 109.7° |
| N33 | C51 | C50 | 106.5° | 105.1° |
| N33 | C51 | C63 | 110.3° | 110.8° |
| C51 | N33 | H17 | 108.4° | 114.2° |
| N33 | C51 | H20 | 110.0° | 108.1° |
| C34 | S49 | C50 | 91.8° | 94.4° |
| S49 | C34 | H19 | 107.1° | 108.0° |
| S49 | C50 | C51 | 103.2° | 102.4° |
| S49 | C50 | C52 | 111.2° | 107.3° |
| S49 | C50 | C53 | 110.1° | 105.9° |
| C51 | C50 | C52 | 112.8° | 117.3° |
| C51 | C50 | C53 | 108.1° | 112.3° |
| C50 | C51 | C63 | 112.0° | 115.3° |
| C50 | C51 | H20 | 108.5° | 109.8° |
| C52 | C50 | C53 | 111.2° | 110.5° |
| C50 | C52 | H21 | 109.5° | 109.8° |
| C50 | C52 | H22 | 109.5° | 109.5° |
| C50 | C52 | H23 | 109.5° | 109.9° |
| C50 | C53 | H24 | 109.5° | 109.8° |
| C50 | C53 | H25 | 109.4° | 109.7° |
| C50 | C53 | H26 | 109.5° | 109.9° |
| C51 | C63 | O64 | 122.8° | 124.0° |
| C51 | C63 | O65 | 115.8° | 112.1° |
| C63 | C51 | H20 | 109.4° | 107.5° |
| O64 | C63 | O65 | 121.3° | 123.9° |
| C63 | O65 | H27 | 109.5° | 111.7° |
| H10 | C25 | H11 | 109.5° | 107.5° |
| H12 | C26 | H13 | 109.5° | 107.8° |
| H15 | C31 | H16 | 109.5° | 107.4° |
| H21 | C52 | H22 | 109.5° | 109.1° |
| H21 | C52 | H23 | 109.5° | 109.4° |
| H22 | C52 | H23 | 109.5° | 109.2° |
| H24 | C53 | H25 | 109.5° | 109.2° |
| H24 | C53 | H26 | 109.5° | 109.3° |
| H25 | C53 | H26 | 109.5° | 108.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | RU | C12 | C13 | 116.5° | 117.8° |
| C11 | RU | C12 | C14 | 79.2° | 79.9° |
| C11 | RU | C12 | C15 | 37.4° | 37.1° |
| C11 | RU | C12 | C16 | 86.4° | 79.7° |
| C11 | RU | C12 | C17 | 51.7° | 138.6° |
| C11 | RU | C12 | C18 | 159.3° | 171.3° |
| C11 | RU | C12 | C19 | 167.1° | 120.1° |
| C11 | RU | C12 | C20 | 128.0° | 40.4° |
| C11 | RU | C13 | C14 | 79.8° | 79.6° |
| C11 | RU | C13 | C15 | 42.0° | 42.0° |
| C11 | RU | C13 | C16 | 84.2° | 124.2° |
| C11 | RU | C13 | C17 | 105.4° | 157.4° |
| C11 | RU | C13 | C18 | 151.1° | 166.1° |
| C11 | RU | C13 | C19 | 166.9° | 151.9° |
| C11 | RU | C13 | C20 | 123.8° | 126.1° |
| C11 | RU | C14 | C15 | 36.8° | 37.4° |
| C11 | RU | C14 | C16 | 66.3° | 137.2° |
| C11 | RU | C14 | C17 | 106.7° | 174.9° |
| C11 | RU | C14 | C18 | 147.8° | 164.0° |
| C11 | RU | C14 | C19 | 169.4° | 161.9° |
| C11 | RU | C14 | C20 | 131.6° | 119.5° |
| C11 | RU | C15 | C16 | 70.5° | 159.9° |
| C11 | RU | C15 | C17 | 109.7° | 166.0° |
| C11 | RU | C15 | C18 | 151.5° | 161.7° |
| C11 | RU | C15 | C19 | 174.8° | 115.6° |
| C11 | RU | C15 | C20 | 41.2° | 124.6° |
| C11 | RU | C16 | C17 | 111.6° | 141.1° |
| C11 | RU | C16 | C18 | 148.8° | 178.0° |
| C11 | RU | C16 | C19 | 168.6° | 139.9° |
| C11 | RU | C16 | C20 | 131.5° | 102.0° |
| C11 | RU | C17 | C18 | 154.3° | 158.8° |
| C11 | RU | C17 | C19 | 167.2° | 163.2° |
| C11 | RU | C17 | C20 | 124.9° | 120.8° |
| C11 | RU | C18 | C19 | 166.5° | 107.4° |
| C11 | RU | C18 | C20 | 129.3° | 143.8° |
| C11 | RU | C19 | C20 | 28.8° | 85.2° |
| RU | C11 | C12 | H1 | 103.0° | 118.0° |
| RU | C11 | C15 | H1 | 103.3° | 117.9° |
| C11 | RU | C18 | C24 | 70.5° | 17.8° |
| RU | C11 | C12 | H2 | 104.3° | 117.9° |
| C11 | RU | C13 | H3 | 159.0° | 159.1° |
| C11 | RU | C14 | H4 | 159.1° | 158.6° |
| RU | C11 | C15 | H5 | 103.5° | 118.3° |
| C11 | RU | C16 | H6 | 10.0° | 19.7° |
| C11 | RU | C17 | H7 | 33.9° | 38.1° |
| C11 | RU | C19 | H8 | 92.9° | 35.2° |
| C11 | RU | C20 | H9 | 51.5° | 10.9° |
| C12 | RU | C13 | C14 | 117.5° | 117.0° |
| C12 | RU | C13 | C15 | 79.7° | 79.5° |
| C12 | RU | C13 | C16 | 46.5° | 161.7° |
| C12 | RU | C13 | C17 | 143.1° | 165.2° |
| C12 | RU | C13 | C18 | 171.3° | 128.6° |
| C12 | RU | C13 | C19 | 129.2° | 114.4° |
| C12 | RU | C13 | C20 | 86.2° | 163.5° |
| C12 | RU | C14 | C15 | 78.8° | 80.1° |
| C12 | RU | C14 | C16 | 108.3° | 179.9° |
| C12 | RU | C14 | C17 | 148.7° | 142.4° |
| C12 | RU | C14 | C18 | 170.2° | 121.3° |
| C12 | RU | C14 | C19 | 127.4° | 155.5° |
| C12 | RU | C14 | C20 | 89.6° | 162.2° |
| C12 | RU | C15 | C16 | 108.0° | 162.6° |
| C12 | RU | C15 | C17 | 147.2° | 128.5° |
| C12 | RU | C15 | C18 | 171.0° | 124.2° |
| C12 | RU | C15 | C19 | 137.3° | 153.2° |
| C12 | RU | C15 | C20 | 78.7° | 162.1° |
| C12 | RU | C16 | C17 | 152.0° | 87.7° |
| C12 | RU | C16 | C18 | 170.8° | 124.6° |
| C12 | RU | C16 | C19 | 128.2° | 166.7° |
| C12 | RU | C16 | C20 | 91.1° | 155.5° |
| C12 | RU | C17 | C18 | 172.5° | 100.0° |
| C12 | RU | C17 | C19 | 134.0° | 138.0° |
| C12 | RU | C17 | C20 | 91.7° | 179.7° |
| C12 | RU | C18 | C19 | 39.8° | 129.3° |
| C12 | RU | C18 | C20 | 77.0° | 165.7° |
| C12 | RU | C19 | C20 | 70.9° | 151.8° |
| RU | C12 | C13 | H2 | 103.7° | 117.9° |
| C12 | RU | C18 | C24 | 83.2° | 4.0° |
| RU | C12 | C13 | H3 | 103.5° | 118.4° |
| C12 | RU | C14 | H4 | 158.9° | 158.7° |
| C12 | RU | C15 | H5 | 158.5° | 159.2° |
| C12 | RU | C16 | H6 | 30.4° | 33.8° |
| C12 | RU | C17 | H7 | 67.1° | 20.7° |
| C12 | RU | C19 | H8 | 50.8° | 31.4° |
| C12 | RU | C20 | H9 | 11.7° | 19.6° |
| C13 | RU | C14 | C15 | 116.0° | 117.5° |
| C13 | RU | C14 | C16 | 145.5° | 142.7° |
| C13 | RU | C14 | C17 | 174.2° | 105.0° |
| C13 | RU | C14 | C18 | 133.0° | 83.9° |
| C13 | RU | C14 | C19 | 90.3° | 118.0° |
| C13 | RU | C14 | C20 | 52.5° | 160.4° |
| C13 | RU | C15 | C16 | 150.3° | 120.5° |
| C13 | RU | C15 | C17 | 170.5° | 86.5° |
| C13 | RU | C15 | C18 | 128.6° | 82.2° |
| C13 | RU | C15 | C19 | 94.9° | 164.8° |
| C13 | RU | C15 | C20 | 121.0° | 155.8° |
| C13 | RU | C16 | C17 | 177.3° | 62.0° |
| C13 | RU | C16 | C18 | 140.2° | 98.9° |
| C13 | RU | C16 | C19 | 97.5° | 141.0° |
| C13 | RU | C16 | C20 | 60.4° | 178.8° |
| C13 | RU | C17 | C18 | 54.3° | 112.5° |
| C13 | RU | C17 | C19 | 92.9° | 150.6° |
| C13 | RU | C17 | C20 | 135.2° | 167.1° |
| C13 | RU | C18 | C19 | 75.9° | 166.9° |
| C13 | RU | C18 | C20 | 113.1° | 156.7° |
| C13 | RU | C19 | C20 | 112.2° | 141.5° |
| RU | C13 | C14 | H3 | 103.2° | 118.0° |
| C13 | RU | C18 | C24 | 47.1° | 41.7° |
| C13 | RU | C11 | H1 | 159.2° | 158.2° |
| RU | C13 | C14 | H4 | 104.0° | 117.4° |
| C13 | RU | C15 | H5 | 159.2° | 158.7° |
| C13 | RU | C16 | H6 | 61.1° | 59.4° |
| C13 | RU | C17 | H7 | 66.1° | 8.2° |
| C13 | RU | C19 | H8 | 9.5° | 98.2° |
| C13 | RU | C20 | H9 | 29.7° | 124.2° |
| C14 | RU | C15 | C16 | 171.5° | 83.1° |
| C14 | RU | C15 | C17 | 132.3° | 49.0° |
| C14 | RU | C15 | C18 | 90.5° | 44.7° |
| C14 | RU | C15 | C19 | 56.8° | 127.4° |
| C14 | RU | C15 | C20 | 159.2° | 118.4° |
| C14 | RU | C16 | C17 | 50.8° | 87.5° |
| C14 | RU | C16 | C18 | 88.0° | 124.4° |
| C14 | RU | C16 | C19 | 130.6° | 166.5° |
| C14 | RU | C16 | C20 | 167.7° | 155.7° |
| C14 | RU | C17 | C18 | 75.6° | 149.3° |
| C14 | RU | C17 | C19 | 114.1° | 172.7° |
| C14 | RU | C17 | C20 | 156.4° | 130.4° |
| C14 | RU | C18 | C19 | 115.4° | 152.6° |
| C14 | RU | C18 | C20 | 152.6° | 116.2° |
| C14 | RU | C19 | C20 | 155.1° | 66.2° |
| RU | C14 | C15 | H4 | 104.4° | 117.3° |
| C14 | RU | C18 | C24 | 7.6° | 82.2° |
| C14 | RU | C11 | H1 | 158.4° | 159.1° |
| C14 | RU | C12 | H2 | 158.9° | 159.0° |
| RU | C14 | C15 | H5 | 102.7° | 117.9° |
| C14 | RU | C16 | H6 | 70.7° | 33.9° |
| C14 | RU | C17 | H7 | 44.8° | 28.5° |
| C14 | RU | C19 | H8 | 33.5° | 173.5° |
| C14 | RU | C20 | H9 | 65.4° | 91.5° |
| C15 | RU | C16 | C17 | 74.0° | 125.0° |
| C15 | RU | C16 | C18 | 111.2° | 161.9° |
| C15 | RU | C16 | C19 | 153.9° | 156.0° |
| C15 | RU | C16 | C20 | 169.1° | 118.2° |
| C15 | RU | C17 | C18 | 113.4° | 176.8° |
| C15 | RU | C17 | C19 | 152.0° | 145.1° |
| C15 | RU | C17 | C20 | 165.7° | 102.8° |
| C15 | RU | C18 | C19 | 157.0° | 122.4° |
| C15 | RU | C18 | C20 | 165.7° | 86.0° |
| C15 | RU | C19 | C20 | 166.9° | 13.8° |
| C15 | RU | C18 | C24 | 34.1° | 112.4° |
| C15 | RU | C12 | H2 | 159.2° | 158.2° |
| C15 | RU | C13 | H3 | 159.0° | 158.8° |
| C15 | RU | C16 | H6 | 47.5° | 3.6° |
| C15 | RU | C17 | H7 | 6.9° | 56.1° |
| C15 | RU | C19 | H8 | 71.4° | 106.6° |
| C15 | RU | C20 | H9 | 83.8° | 50.4° |
| C16 | RU | C17 | C18 | 118.4° | 117.9° |
| C16 | RU | C17 | C19 | 79.8° | 79.9° |
| C16 | RU | C17 | C20 | 37.5° | 37.5° |
| C16 | RU | C18 | C19 | 79.0° | 78.6° |
| C16 | RU | C18 | C20 | 41.8° | 42.1° |
| C16 | RU | C19 | C20 | 36.9° | 38.0° |
| RU | C16 | C17 | H6 | 103.0° | 116.9° |
| RU | C16 | C20 | H6 | 103.4° | 117.3° |
| C16 | RU | C18 | C24 | 158.0° | 156.2° |
| C16 | RU | C11 | H1 | 8.8° | 94.0° |
| C16 | RU | C12 | H2 | 35.4° | 159.2° |
| C16 | RU | C13 | H3 | 74.8° | 76.6° |
| C16 | RU | C14 | H4 | 92.7° | 21.4° |
| C16 | RU | C15 | H5 | 50.5° | 38.2° |
| RU | C16 | C17 | H7 | 104.0° | 116.7° |
| C16 | RU | C19 | H8 | 158.6° | 158.3° |
| RU | C16 | C20 | H9 | 103.6° | 118.3° |
| C17 | RU | C18 | C19 | 115.5° | 116.0° |
| C17 | RU | C18 | C20 | 78.3° | 79.6° |
| C17 | RU | C19 | C20 | 78.8° | 81.0° |
| RU | C17 | C18 | H7 | 103.0° | 117.1° |
| C17 | RU | C18 | C24 | 121.5° | 118.7° |
| C17 | RU | C11 | H1 | 31.7° | 148.3° |
| C17 | RU | C12 | H2 | 70.1° | 100.3° |
| C17 | RU | C13 | H3 | 95.6° | 43.5° |
| C17 | RU | C14 | H4 | 52.4° | 16.3° |
| C17 | RU | C15 | H5 | 11.3° | 72.3° |
| C17 | RU | C19 | H8 | 159.5° | 158.6° |
| C17 | RU | C20 | H9 | 158.6° | 159.6° |
| C18 | RU | C19 | C20 | 117.2° | 119.1° |
| RU | C18 | C19 | C24 | 110.5° | 118.8° |
| RU | C18 | C24 | C25 | 81.2° | 90.8° |
| RU | C18 | C24 | O28 | 107.9° | 89.0° |
| C18 | RU | C11 | H1 | 65.1° | 93.1° |
| C18 | RU | C12 | H2 | 78.9° | 50.2° |
| C18 | RU | C13 | H3 | 49.9° | 6.9° |
| C18 | RU | C14 | H4 | 11.3° | 37.4° |
| C18 | RU | C15 | H5 | 30.5° | 76.6° |
| C18 | RU | C16 | H6 | 158.7° | 158.3° |
| RU | C18 | C19 | H8 | 103.2° | 117.0° |
| C18 | RU | C20 | H9 | 158.6° | 158.3° |
| RU | C19 | C20 | H8 | 104.0° | 117.0° |
| C19 | RU | C11 | H1 | 69.6° | 5.4° |
| C19 | RU | C12 | H2 | 45.2° | 0.9° |
| C19 | RU | C13 | H3 | 7.9° | 7.2° |
| C19 | RU | C14 | H4 | 31.5° | 3.3° |
| C19 | RU | C15 | H5 | 64.2° | 6.1° |
| C19 | RU | C16 | H6 | 158.6° | 159.6° |
| C19 | RU | C17 | H7 | 158.9° | 158.8° |
| RU | C19 | C20 | H9 | 103.2° | 118.7° |
| C20 | RU | C18 | C24 | 160.2° | 161.6° |
| C20 | RU | C11 | H1 | 46.4° | 44.9° |
| C20 | RU | C12 | H2 | 6.2° | 80.7° |
| C20 | RU | C13 | H3 | 35.2° | 74.8° |
| C20 | RU | C14 | H4 | 69.3° | 39.1° |
| C20 | RU | C15 | H5 | 79.8° | 2.9° |
| C20 | RU | C17 | H7 | 158.8° | 158.9° |
| C12 | C11 | C15 | H1 | 165.3° | 179.8° |
| C11 | C12 | C13 | H2 | 167.4° | 179.7° |
| C11 | C12 | C13 | C14 | 1.5° | 0.3° |
| C12 | C11 | C15 | C14 | 0.3° | 0.2° |
| C11 | C12 | C13 | H3 | 167.2° | 179.8° |
| C12 | C11 | C15 | H5 | 165.5° | 179.8° |
| C15 | C11 | C12 | C13 | 0.8° | 0.0° |
| C11 | C15 | C14 | C13 | 1.2° | 0.4° |
| C11 | C15 | C14 | H5 | 165.2° | 179.5° |
| C15 | C11 | C12 | H2 | 166.6° | 179.8° |
| C11 | C15 | C14 | H4 | 166.9° | 179.9° |
| C12 | C13 | C14 | H3 | 165.7° | 179.5° |
| C12 | C13 | C14 | C15 | 1.7° | 0.5° |
| C13 | C12 | C11 | H1 | 166.1° | 179.8° |
| C12 | C13 | C14 | H4 | 166.5° | 179.9° |
| C13 | C14 | C15 | H4 | 168.1° | 179.5° |
| C14 | C13 | C12 | H2 | 165.8° | 179.9° |
| C13 | C14 | C15 | H5 | 166.4° | 180.0° |
| C14 | C15 | C11 | H1 | 165.0° | 179.9° |
| C15 | C14 | C13 | H3 | 167.4° | 180.0° |
| C17 | C16 | C20 | H6 | 165.4° | 179.6° |
| C16 | C17 | C18 | H7 | 165.6° | 179.2° |
| C16 | C17 | C18 | C19 | 1.3° | 1.0° |
| C16 | C17 | C18 | C24 | 173.1° | 179.6° |
| C17 | C16 | C20 | C19 | 0.1° | 0.7° |
| C17 | C16 | C20 | H9 | 165.5° | 179.4° |
| C20 | C16 | C17 | C18 | 0.7° | 0.2° |
| C16 | C20 | C19 | C18 | 0.9° | 1.3° |
| C16 | C20 | C19 | H9 | 165.6° | 178.7° |
| C20 | C16 | C17 | H7 | 166.3° | 179.4° |
| C16 | C20 | C19 | H8 | 166.4° | 179.5° |
| C17 | C18 | C19 | C24 | 174.2° | 178.6° |
| C17 | C18 | C19 | C20 | 1.3° | 1.4° |
| C17 | C18 | C24 | C25 | 5.0° | 179.5° |
| C17 | C18 | C24 | O28 | 165.9° | 0.4° |
| C18 | C17 | C16 | H6 | 164.6° | 179.4° |
| C17 | C18 | C19 | H8 | 166.9° | 179.7° |
| C18 | C19 | C20 | H8 | 165.6° | 178.2° |
| C19 | C18 | C24 | C25 | 168.2° | 2.2° |
| C19 | C18 | C24 | O28 | 20.9° | 177.9° |
| C19 | C18 | C17 | H7 | 166.9° | 179.8° |
| C18 | C19 | C20 | H9 | 164.8° | 180.0° |
| C24 | C18 | C19 | C20 | 172.9° | 180.0° |
| C18 | C24 | C25 | O28 | 170.6° | 179.9° |
| C18 | C24 | C25 | C26 | 150.9° | 89.1° |
| C18 | C24 | C25 | H10 | 30.4° | 149.6° |
| C18 | C24 | C25 | H11 | 88.6° | 32.6° |
| C24 | C18 | C17 | H7 | 7.4° | 1.2° |
| C24 | C18 | C19 | H8 | 7.4° | 1.8° |
| C19 | C20 | C16 | H6 | 165.4° | 179.7° |
| C24 | C25 | C26 | H10 | 120.5° | 121.4° |
| C24 | C25 | C26 | H11 | 120.5° | 121.7° |
| C24 | C25 | C26 | C27 | 177.1° | 72.2° |
| C24 | C25 | H10 | H11 | 118.6° | 118.0° |
| C24 | C25 | C26 | H12 | 56.8° | 166.4° |
| C24 | C25 | C26 | H13 | 62.5° | 49.7° |
| O28 | C24 | C25 | C26 | 19.6° | 90.8° |
| O28 | C24 | C25 | H10 | 140.1° | 30.5° |
| O28 | C24 | C25 | H11 | 100.8° | 147.5° |
| C25 | C26 | C27 | H12 | 120.3° | 121.0° |
| C25 | C26 | C27 | H13 | 120.3° | 121.4° |
| C25 | C26 | C27 | O29 | 0.1° | 93.3° |
| C25 | C26 | C27 | N30 | 175.3° | 87.0° |
| C26 | C25 | H10 | H11 | 118.5° | 117.9° |
| C25 | C26 | H12 | H13 | 119.0° | 117.0° |
| C26 | C27 | O29 | N30 | 175.3° | 179.7° |
| C26 | C27 | N30 | C31 | 179.7° | 178.9° |
| C27 | C26 | C25 | H10 | 62.4° | 49.2° |
| C27 | C26 | C25 | H11 | 56.6° | 166.1° |
| C27 | C26 | H12 | H13 | 119.1° | 118.5° |
| C26 | C27 | N30 | H14 | 0.3° | 0.7° |
| O29 | C27 | N30 | C31 | 4.3° | 1.4° |
| O29 | C27 | C26 | H12 | 120.4° | 27.7° |
| O29 | C27 | C26 | H13 | 120.2° | 145.3° |
| O29 | C27 | N30 | H14 | 175.7° | 179.0° |
| C27 | N30 | C31 | H14 | 180.0° | 179.6° |
| C27 | N30 | C31 | C34 | 180.0° | 101.5° |
| N30 | C27 | C26 | H12 | 55.0° | 152.0° |
| N30 | C27 | C26 | H13 | 64.4° | 34.4° |
| C27 | N30 | C31 | H15 | 59.6° | 137.3° |
| C27 | N30 | C31 | H16 | 59.5° | 20.3° |
| N30 | C31 | C34 | H15 | 120.4° | 121.2° |
| N30 | C31 | C34 | H16 | 120.5° | 122.0° |
| N30 | C31 | C34 | N33 | 57.8° | 48.0° |
| N30 | C31 | C34 | S49 | 61.4° | 167.0° |
| N30 | C31 | H15 | H16 | 118.6° | 118.2° |
| N30 | C31 | C34 | H19 | 178.3° | 74.8° |
| C31 | C34 | N33 | S49 | 119.8° | 121.3° |
| C31 | C34 | N33 | H19 | 123.1° | 122.4° |
| C31 | C34 | N33 | C51 | 118.6° | 97.7° |
| C31 | C34 | S49 | H19 | 118.5° | 118.8° |
| C31 | C34 | S49 | C50 | 142.9° | 127.0° |
| C34 | C31 | N30 | H14 | 0.0° | 78.9° |
| C34 | C31 | H15 | H16 | 118.6° | 117.8° |
| C31 | C34 | N33 | H17 | 2.1° | 130.3° |
| C34 | N33 | C51 | H17 | 120.7° | 131.3° |
| N33 | C34 | S49 | H19 | 119.7° | 117.6° |
| N33 | C34 | S49 | C50 | 21.2° | 3.4° |
| C34 | N33 | C51 | C50 | 27.8° | 44.2° |
| C34 | N33 | C51 | C63 | 149.6° | 169.4° |
| N33 | C34 | C31 | H15 | 62.6° | 73.2° |
| N33 | C34 | C31 | H16 | 178.3° | 170.0° |
| C34 | N33 | C51 | H20 | 89.6° | 73.1° |
| C51 | N33 | C34 | S49 | 1.3° | 23.5° |
| N33 | C51 | C50 | S49 | 41.2° | 42.0° |
| N33 | C51 | C50 | C63 | 120.7° | 122.3° |
| N33 | C51 | C50 | H20 | 118.4° | 116.1° |
| N33 | C51 | C50 | C52 | 78.9° | 75.1° |
| N33 | C51 | C50 | C53 | 157.8° | 155.2° |
| N33 | C51 | C63 | H20 | 121.1° | 117.9° |
| N33 | C51 | C63 | O64 | 27.2° | 27.8° |
| N33 | C51 | C63 | O65 | 148.9° | 152.0° |
| C51 | N33 | C34 | H19 | 118.4° | 139.9° |
| C34 | S49 | C50 | C51 | 35.4° | 26.0° |
| C34 | S49 | C50 | C52 | 85.8° | 98.1° |
| C34 | S49 | C50 | C53 | 150.6° | 143.8° |
| S49 | C34 | C31 | H15 | 178.1° | 45.8° |
| S49 | C34 | C31 | H16 | 59.0° | 71.0° |
| S49 | C34 | N33 | H17 | 121.9° | 108.4° |
| S49 | C50 | C51 | C52 | 120.1° | 117.1° |
| S49 | C50 | C51 | C53 | 116.6° | 113.2° |
| S49 | C50 | C52 | C53 | 123.0° | 115.1° |
| S49 | C50 | C51 | C63 | 161.9° | 164.3° |
| C50 | S49 | C34 | H19 | 98.6° | 114.2° |
| S49 | C50 | C51 | H20 | 77.2° | 74.1° |
| S49 | C50 | C52 | H21 | 180.0° | 55.7° |
| S49 | C50 | C52 | H22 | 60.0° | 64.0° |
| S49 | C50 | C52 | H23 | 60.0° | 176.1° |
| S49 | C50 | C53 | H24 | 180.0° | 179.7° |
| S49 | C50 | C53 | H25 | 60.0° | 59.6° |
| S49 | C50 | C53 | H26 | 60.0° | 60.1° |
| C51 | C50 | C52 | C53 | 121.6° | 130.5° |
| C50 | C51 | C63 | H20 | 120.4° | 122.9° |
| C50 | C51 | C63 | O64 | 91.3° | 91.4° |
| C50 | C51 | C63 | O65 | 92.6° | 88.8° |
| C50 | C51 | N33 | H17 | 148.5° | 87.2° |
| C51 | C50 | C52 | H21 | 64.7° | 170.2° |
| C51 | C50 | C52 | H22 | 55.3° | 50.5° |
| C51 | C50 | C52 | H23 | 175.3° | 69.5° |
| C51 | C50 | C53 | H24 | 68.0° | 68.6° |
| C51 | C50 | C53 | H25 | 172.0° | 51.4° |
| C51 | C50 | C53 | H26 | 52.0° | 171.1° |
| C52 | C50 | C51 | C63 | 41.8° | 47.2° |
| C52 | C50 | C51 | H20 | 162.8° | 168.8° |
| C50 | C52 | H21 | H22 | 120.0° | 120.0° |
| C50 | C52 | H21 | H23 | 120.0° | 120.6° |
| C50 | C52 | H22 | H23 | 120.0° | 120.3° |
| C52 | C50 | C53 | H24 | 56.3° | 64.4° |
| C52 | C50 | C53 | H25 | 63.7° | 175.5° |
| C52 | C50 | C53 | H26 | 176.3° | 55.8° |
| C53 | C50 | C51 | C63 | 81.6° | 82.5° |
| C53 | C50 | C51 | H20 | 39.4° | 39.1° |
| C53 | C50 | C52 | H21 | 57.0° | 59.3° |
| C53 | C50 | C52 | H22 | 177.0° | 179.0° |
| C53 | C50 | C52 | H23 | 63.0° | 61.0° |
| C50 | C53 | H24 | H25 | 120.0° | 120.4° |
| C50 | C53 | H24 | H26 | 120.0° | 120.6° |
| C50 | C53 | H25 | H26 | 120.0° | 120.3° |
| C51 | C63 | O64 | O65 | 175.9° | 179.7° |
| C63 | C51 | N33 | H17 | 89.8° | 38.0° |
| C51 | C63 | O65 | H27 | 176.1° | 179.8° |
| O64 | C63 | C51 | H20 | 148.3° | 145.7° |
| O64 | C63 | O65 | H27 | 0.0° | 0.1° |
| O65 | C63 | C51 | H20 | 27.8° | 34.0° |
| H10 | C25 | C26 | H12 | 177.3° | 72.3° |
| H10 | C25 | C26 | H13 | 58.0° | 171.1° |
| H11 | C25 | C26 | H12 | 63.7° | 44.6° |
| H11 | C25 | C26 | H13 | 177.0° | 72.0° |
| H14 | N30 | C31 | H15 | 120.4° | 42.4° |
| H14 | N30 | C31 | H16 | 120.5° | 159.3° |
| H15 | C31 | C34 | H19 | 61.3° | 164.0° |
| H16 | C31 | C34 | H19 | 57.8° | 47.2° |
| H17 | N33 | C34 | H19 | 121.0° | 8.0° |
| H17 | N33 | C51 | H20 | 31.0° | 155.6° |
| H21 | C52 | H22 | H23 | 120.0° | 119.5° |
| H24 | C53 | H25 | H26 | 120.0° | 119.3° |
| H1 | C11 | C12 | H2 | 1.3° | 0.0° |
| H1 | C11 | C15 | H5 | 0.2° | 0.4° |
| H2 | C12 | C13 | H3 | 0.1° | 0.4° |
| H3 | C13 | C14 | H4 | 0.8° | 0.6° |
| H4 | C14 | C15 | H5 | 1.8° | 0.6° |
| H6 | C16 | C17 | H7 | 1.0° | 0.2° |
| H6 | C16 | C20 | H9 | 0.2° | 1.0° |
| H8 | C19 | C20 | H9 | 0.8° | 1.7° |






