JSE
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 | 2.20Å | |
| RU | C13 | sing | 2.19Å | 2.19Å | |
| RU | C14 | sing | 2.18Å | 2.18Å | |
| RU | C15 | sing | 2.18Å | 2.19Å | |
| RU | C16 | sing | 2.18Å | 2.21Å | |
| RU | C17 | sing | 2.19Å | 2.20Å | |
| RU | C18 | sing | 2.19Å | 2.16Å | |
| RU | C19 | sing | 2.19Å | 2.19Å | |
| RU | C20 | sing | 2.18Å | 2.18Å | |
| C11 | C12 | doub | 1.41Å | 1.38Å | |
| C11 | C15 | sing | 1.40Å | 1.38Å | |
| C12 | C13 | sing | 1.40Å | 1.38Å | |
| C13 | C14 | doub | 1.41Å | 1.38Å | |
| C14 | C15 | sing | 1.42Å | 1.39Å | |
| C16 | C17 | doub | 1.39Å | 1.39Å | |
| C16 | C20 | sing | 1.41Å | 1.38Å | |
| C17 | C18 | sing | 1.39Å | 1.38Å | |
| C18 | C19 | doub | 1.39Å | 1.39Å | |
| C18 | C24 | sing | 1.47Å | 1.48Å | |
| 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 | 1.51Å | |
| C26 | C27 | sing | 1.51Å | 1.50Å | |
| C27 | O29 | doub | 1.24Å | 1.23Å | |
| C27 | N30 | sing | 1.35Å | 1.32Å | |
| N30 | C31 | sing | 1.46Å | 1.43Å | |
| C31 | C32 | sing | 1.53Å | 1.50Å | |
| C31 | C34 | sing | 1.55Å | 1.52Å | |
| C32 | O38 | doub | 1.21Å | 1.23Å | |
| C32 | O67 | sing | 1.31Å | 1.33Å | |
| N33 | C34 | sing | 1.48Å | 1.45Å | |
| N33 | C51 | sing | 1.47Å | 1.45Å | |
| C34 | S49 | sing | 1.83Å | 1.77Å | |
| S49 | C50 | sing | 1.85Å | 1.79Å | |
| C50 | C51 | sing | 1.58Å | 1.55Å | |
| C50 | C52 | sing | 1.53Å | 1.53Å | |
| C50 | C53 | sing | 1.53Å | 1.54Å | |
| C51 | C63 | sing | 1.52Å | 1.49Å | |
| C63 | O64 | doub | 1.21Å | 1.22Å | |
| C63 | O65 | sing | 1.32Å | 1.32Å | |
| 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 | 0.88Å | 1.00Å | |
| C31 | H15 | sing | 0.99Å | 1.10Å | |
| N33 | H16 | sing | 0.88Å | 1.00Å | |
| C34 | H18 | sing | 0.99Å | 1.10Å | |
| C51 | H19 | sing | 0.99Å | 1.10Å | |
| C52 | H20 | sing | 0.98Å | 1.10Å | |
| C52 | H21 | sing | 0.97Å | 1.10Å | |
| C52 | H22 | sing | 0.98Å | 1.10Å | |
| C53 | H23 | sing | 0.97Å | 1.10Å | |
| C53 | H24 | sing | 0.97Å | 1.10Å | |
| C53 | H25 | sing | 0.97Å | 1.10Å | |
| O65 | H26 | sing | 0.88Å | 0.95Å | |
| O67 | 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 | 36.6° | 37.7° |
| C11 | RU | C13 | 61.0° | 62.9° |
| C11 | RU | C14 | 61.5° | 62.7° |
| C11 | RU | C15 | 36.7° | 37.3° |
| C11 | RU | C16 | 111.0° | 127.3° |
| C11 | RU | C17 | 119.6° | 127.7° |
| C11 | RU | C18 | 150.9° | 147.6° |
| C11 | RU | C19 | 166.8° | 169.2° |
| C11 | RU | C20 | 130.1° | 147.1° |
| RU | C11 | C12 | 71.3° | 71.4° |
| RU | C11 | C15 | 70.9° | 71.1° |
| RU | C11 | H1 | 111.0° | 123.4° |
| C12 | RU | C13 | 36.7° | 37.2° |
| C12 | RU | C14 | 61.7° | 62.5° |
| C12 | RU | C15 | 61.5° | 62.7° |
| C12 | RU | C16 | 120.3° | 156.8° |
| C12 | RU | C17 | 149.1° | 158.8° |
| C12 | RU | C18 | 172.3° | 141.1° |
| C12 | RU | C19 | 136.0° | 131.5° |
| C12 | RU | C20 | 114.2° | 138.8° |
| RU | C12 | C11 | 72.1° | 71.0° |
| RU | C12 | C13 | 71.5° | 71.2° |
| RU | C12 | H2 | 111.3° | 123.2° |
| C13 | RU | C14 | 36.9° | 37.7° |
| C13 | RU | C15 | 61.5° | 63.2° |
| C13 | RU | C16 | 152.3° | 127.3° |
| C13 | RU | C17 | 170.9° | 163.6° |
| C13 | RU | C18 | 138.4° | 141.5° |
| C13 | RU | C19 | 120.5° | 108.5° |
| C13 | RU | C20 | 125.8° | 101.8° |
| RU | C13 | C12 | 71.8° | 71.6° |
| RU | C13 | C14 | 71.1° | 70.9° |
| RU | C13 | H3 | 111.1° | 123.6° |
| C14 | RU | C15 | 37.1° | 37.9° |
| C14 | RU | C16 | 166.0° | 95.6° |
| C14 | RU | C17 | 134.3° | 131.2° |
| C14 | RU | C18 | 118.2° | 149.0° |
| C14 | RU | C19 | 128.6° | 115.0° |
| C14 | RU | C20 | 157.5° | 87.2° |
| RU | C14 | C13 | 72.0° | 71.4° |
| RU | C14 | C15 | 71.7° | 71.1° |
| RU | C14 | H4 | 111.7° | 122.7° |
| C15 | RU | C16 | 129.7° | 95.6° |
| C15 | RU | C17 | 113.0° | 116.1° |
| C15 | RU | C18 | 123.6° | 153.2° |
| C15 | RU | C19 | 156.5° | 146.7° |
| C15 | RU | C20 | 163.6° | 110.2° |
| RU | C15 | C11 | 72.4° | 71.6° |
| RU | C15 | C14 | 71.2° | 71.0° |
| RU | C15 | H5 | 111.5° | 123.2° |
| C16 | RU | C17 | 36.8° | 37.1° |
| C16 | RU | C18 | 61.9° | 62.0° |
| C16 | RU | C19 | 61.0° | 62.7° |
| C16 | RU | C20 | 36.5° | 37.8° |
| RU | C16 | C17 | 71.0° | 71.6° |
| RU | C16 | C20 | 70.5° | 71.1° |
| RU | C16 | H6 | 110.9° | 122.8° |
| C17 | RU | C18 | 37.0° | 37.1° |
| C17 | RU | C19 | 61.2° | 62.3° |
| C17 | RU | C20 | 61.6° | 62.4° |
| RU | C17 | C16 | 72.2° | 71.3° |
| RU | C17 | C18 | 70.0° | 71.8° |
| RU | C17 | H7 | 111.1° | 123.2° |
| C18 | RU | C19 | 37.3° | 37.1° |
| C18 | RU | C20 | 62.7° | 61.9° |
| RU | C18 | C17 | 73.0° | 71.1° |
| RU | C18 | C19 | 72.4° | 71.1° |
| RU | C18 | C24 | 120.1° | 122.6° |
| C19 | RU | C20 | 37.2° | 37.3° |
| RU | C19 | C18 | 70.3° | 71.8° |
| RU | C19 | C20 | 71.1° | 71.2° |
| RU | C19 | H8 | 111.2° | 123.4° |
| RU | C20 | C16 | 73.0° | 71.1° |
| RU | C20 | C19 | 71.7° | 71.5° |
| RU | C20 | H9 | 111.7° | 122.6° |
| C12 | C11 | C15 | 108.2° | 108.0° |
| C11 | C12 | C13 | 107.8° | 108.4° |
| C12 | C11 | H1 | 124.9° | 126.0° |
| C11 | C12 | H2 | 125.3° | 125.8° |
| C11 | C15 | C14 | 107.9° | 107.7° |
| C15 | C11 | H1 | 124.9° | 126.0° |
| C11 | C15 | H5 | 125.4° | 126.2° |
| C12 | C13 | C14 | 108.5° | 107.7° |
| C13 | C12 | H2 | 125.4° | 125.8° |
| C12 | C13 | H3 | 125.0° | 126.2° |
| C13 | C14 | C15 | 107.5° | 108.2° |
| C14 | C13 | H3 | 124.8° | 126.1° |
| C13 | C14 | H4 | 125.6° | 125.9° |
| C15 | C14 | H4 | 125.5° | 126.0° |
| C14 | C15 | H5 | 125.2° | 126.1° |
| C17 | C16 | C20 | 108.3° | 107.6° |
| C16 | C17 | C18 | 108.4° | 108.2° |
| C17 | C16 | H6 | 124.6° | 126.3° |
| C16 | C17 | H7 | 124.7° | 126.2° |
| C16 | C20 | C19 | 107.6° | 107.9° |
| C20 | C16 | H6 | 125.0° | 126.1° |
| C16 | C20 | H9 | 125.9° | 126.1° |
| C17 | C18 | C19 | 107.2° | 108.6° |
| C17 | C18 | C24 | 125.0° | 123.4° |
| C18 | C17 | H7 | 125.0° | 125.6° |
| C19 | C18 | C24 | 127.8° | 128.0° |
| C18 | C19 | C20 | 108.4° | 107.8° |
| C18 | C19 | H8 | 124.7° | 126.5° |
| C18 | C24 | C25 | 116.7° | 122.7° |
| C18 | C24 | O28 | 119.9° | 120.2° |
| C20 | C19 | H8 | 124.7° | 125.7° |
| C19 | C20 | H9 | 125.4° | 126.0° |
| C25 | C24 | O28 | 123.4° | 117.1° |
| C24 | C25 | C26 | 111.9° | 113.4° |
| C24 | C25 | H10 | 108.9° | 108.9° |
| C24 | C25 | H11 | 108.9° | 109.1° |
| C25 | C26 | C27 | 110.5° | 114.2° |
| C26 | C25 | H10 | 108.9° | 108.9° |
| C26 | C25 | H11 | 108.9° | 108.9° |
| C25 | C26 | H12 | 109.2° | 108.5° |
| C25 | C26 | H13 | 109.2° | 108.2° |
| C26 | C27 | O29 | 121.2° | 119.8° |
| C26 | C27 | N30 | 114.9° | 117.0° |
| C27 | C26 | H12 | 109.2° | 109.2° |
| C27 | C26 | H13 | 109.2° | 108.8° |
| O29 | C27 | N30 | 123.8° | 123.2° |
| C27 | N30 | C31 | 120.7° | 125.6° |
| C27 | N30 | H14 | 119.7° | 116.6° |
| N30 | C31 | C32 | 112.6° | 110.3° |
| N30 | C31 | C34 | 106.9° | 110.1° |
| C31 | N30 | H14 | 119.6° | 117.8° |
| N30 | C31 | H15 | 109.2° | 108.3° |
| C32 | C31 | C34 | 111.8° | 113.5° |
| C31 | C32 | O38 | 123.9° | 123.5° |
| C31 | C32 | O67 | 117.3° | 112.6° |
| C32 | C31 | H15 | 108.3° | 107.7° |
| C31 | C34 | N33 | 112.6° | 115.5° |
| C31 | C34 | S49 | 113.3° | 111.2° |
| C34 | C31 | H15 | 108.1° | 106.7° |
| C31 | C34 | H18 | 109.4° | 108.7° |
| O38 | C32 | O67 | 118.7° | 123.9° |
| C32 | O67 | H27 | 109.5° | 112.0° |
| C34 | N33 | C51 | 112.7° | 110.8° |
| N33 | C34 | S49 | 104.2° | 104.9° |
| C34 | N33 | H16 | 108.7° | 117.0° |
| N33 | C34 | H18 | 110.4° | 109.5° |
| N33 | C51 | C50 | 107.9° | 104.6° |
| N33 | C51 | C63 | 111.5° | 111.0° |
| C51 | N33 | H16 | 108.7° | 113.5° |
| N33 | C51 | H19 | 108.8° | 108.5° |
| C34 | S49 | C50 | 96.8° | 94.3° |
| S49 | C34 | H18 | 106.6° | 106.8° |
| S49 | C50 | C51 | 104.9° | 104.2° |
| S49 | C50 | C52 | 110.2° | 107.0° |
| S49 | C50 | C53 | 110.1° | 105.0° |
| C51 | C50 | C52 | 109.0° | 112.9° |
| C51 | C50 | C53 | 112.1° | 116.3° |
| C50 | C51 | C63 | 112.7° | 115.6° |
| C50 | C51 | H19 | 107.6° | 109.9° |
| C52 | C50 | C53 | 110.3° | 110.4° |
| C50 | C52 | H20 | 109.5° | 109.9° |
| C50 | C52 | H21 | 109.4° | 109.7° |
| C50 | C52 | H22 | 109.4° | 109.9° |
| C50 | C53 | H23 | 109.5° | 109.8° |
| C50 | C53 | H24 | 109.5° | 109.5° |
| C50 | C53 | H25 | 109.5° | 110.0° |
| C51 | C63 | O64 | 120.0° | 124.1° |
| C51 | C63 | O65 | 118.8° | 111.9° |
| C63 | C51 | H19 | 108.3° | 107.2° |
| O64 | C63 | O65 | 120.7° | 124.0° |
| C63 | O65 | H26 | 109.5° | 111.7° |
| H10 | C25 | H11 | 109.5° | 107.5° |
| H12 | C26 | H13 | 109.5° | 107.8° |
| H20 | C52 | H21 | 109.5° | 109.1° |
| H20 | C52 | H22 | 109.5° | 109.3° |
| H21 | C52 | H22 | 109.5° | 108.9° |
| H23 | C53 | H24 | 109.5° | 109.0° |
| H23 | C53 | H25 | 109.5° | 109.4° |
| H24 | C53 | H25 | 109.5° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | RU | C12 | C13 | 116.6° | 118.1° |
| C11 | RU | C12 | C14 | 79.4° | 80.2° |
| C11 | RU | C12 | C15 | 37.0° | 37.3° |
| C11 | RU | C12 | C16 | 84.7° | 59.8° |
| C11 | RU | C12 | C17 | 50.7° | 55.0° |
| C11 | RU | C12 | C18 | 170.2° | 126.5° |
| C11 | RU | C12 | C19 | 163.0° | 179.7° |
| C11 | RU | C12 | C20 | 125.4° | 127.4° |
| C11 | RU | C13 | C14 | 80.1° | 79.7° |
| C11 | RU | C13 | C15 | 42.1° | 42.1° |
| C11 | RU | C13 | C16 | 79.9° | 117.8° |
| C11 | RU | C13 | C17 | 96.6° | 133.8° |
| C11 | RU | C13 | C18 | 151.7° | 151.6° |
| C11 | RU | C13 | C19 | 164.9° | 173.0° |
| C11 | RU | C13 | C20 | 120.6° | 148.9° |
| C11 | RU | C14 | C15 | 37.4° | 37.4° |
| C11 | RU | C14 | C16 | 60.3° | 129.4° |
| C11 | RU | C14 | C17 | 104.9° | 117.6° |
| C11 | RU | C14 | C18 | 146.9° | 170.6° |
| C11 | RU | C14 | C19 | 169.8° | 168.2° |
| C11 | RU | C14 | C20 | 127.1° | 166.3° |
| C11 | RU | C15 | C16 | 70.4° | 151.1° |
| C11 | RU | C15 | C17 | 109.2° | 118.7° |
| C11 | RU | C15 | C18 | 149.8° | 119.5° |
| C11 | RU | C15 | C19 | 179.7° | 162.6° |
| C11 | RU | C15 | C20 | 42.0° | 173.0° |
| C11 | RU | C16 | C17 | 111.8° | 105.5° |
| C11 | RU | C16 | C18 | 148.9° | 142.9° |
| C11 | RU | C16 | C19 | 168.4° | 175.1° |
| C11 | RU | C16 | C20 | 129.9° | 137.7° |
| C11 | RU | C17 | C18 | 156.3° | 138.4° |
| C11 | RU | C17 | C19 | 164.9° | 175.2° |
| C11 | RU | C17 | C20 | 122.3° | 142.5° |
| C11 | RU | C18 | C19 | 160.9° | 162.8° |
| C11 | RU | C18 | C20 | 124.2° | 159.4° |
| C11 | RU | C19 | C20 | 17.5° | 120.7° |
| RU | C11 | C12 | H1 | 103.0° | 118.2° |
| RU | C11 | C15 | H1 | 102.8° | 118.1° |
| C11 | RU | C18 | C24 | 75.0° | 39.2° |
| RU | C11 | C12 | H2 | 103.9° | 117.7° |
| C11 | RU | C13 | H3 | 158.9° | 159.0° |
| C11 | RU | C14 | H4 | 159.2° | 158.6° |
| RU | C11 | C15 | H5 | 104.2° | 118.1° |
| C11 | RU | C16 | H6 | 8.9° | 16.4° |
| C11 | RU | C17 | H7 | 35.4° | 17.2° |
| C11 | RU | C19 | H8 | 103.4° | 0.3° |
| C11 | RU | C20 | H9 | 53.2° | 41.3° |
| C12 | RU | C13 | C14 | 117.7° | 117.0° |
| C12 | RU | C13 | C15 | 79.7° | 79.4° |
| C12 | RU | C13 | C16 | 42.3° | 155.1° |
| C12 | RU | C13 | C17 | 134.2° | 171.1° |
| C12 | RU | C13 | C18 | 170.7° | 114.3° |
| C12 | RU | C13 | C19 | 127.3° | 135.7° |
| C12 | RU | C13 | C20 | 83.0° | 173.8° |
| C12 | RU | C14 | C15 | 79.3° | 80.1° |
| C12 | RU | C14 | C16 | 102.2° | 172.1° |
| C12 | RU | C14 | C17 | 146.7° | 160.2° |
| C12 | RU | C14 | C18 | 171.3° | 146.8° |
| C12 | RU | C14 | C19 | 128.0° | 125.6° |
| C12 | RU | C14 | C20 | 85.3° | 151.1° |
| C12 | RU | C15 | C16 | 107.2° | 171.3° |
| C12 | RU | C15 | C17 | 146.1° | 156.3° |
| C12 | RU | C15 | C18 | 173.3° | 157.1° |
| C12 | RU | C15 | C19 | 143.5° | 125.0° |
| C12 | RU | C15 | C20 | 78.9° | 135.4° |
| C12 | RU | C16 | C17 | 151.3° | 147.1° |
| C12 | RU | C16 | C18 | 171.6° | 175.5° |
| C12 | RU | C16 | C19 | 128.9° | 133.4° |
| C12 | RU | C16 | C20 | 90.5° | 96.1° |
| C12 | RU | C17 | C18 | 171.7° | 99.2° |
| C12 | RU | C17 | C19 | 132.8° | 136.0° |
| C12 | RU | C17 | C20 | 90.3° | 178.3° |
| C12 | RU | C18 | C19 | 31.1° | 96.4° |
| C12 | RU | C18 | C20 | 67.8° | 134.1° |
| C12 | RU | C19 | C20 | 67.2° | 119.7° |
| RU | C12 | C13 | H2 | 103.5° | 117.8° |
| C12 | RU | C18 | C24 | 93.0° | 27.3° |
| RU | C12 | C13 | H3 | 103.5° | 118.7° |
| C12 | RU | C14 | H4 | 158.9° | 158.7° |
| C12 | RU | C15 | H5 | 158.8° | 159.3° |
| C12 | RU | C16 | H6 | 30.6° | 25.3° |
| C12 | RU | C17 | H7 | 67.4° | 22.0° |
| C12 | RU | C19 | H8 | 53.7° | 1.3° |
| C12 | RU | C20 | H9 | 13.7° | 22.2° |
| C13 | RU | C14 | C15 | 116.2° | 117.5° |
| C13 | RU | C14 | C16 | 139.1° | 150.5° |
| C13 | RU | C14 | C17 | 176.4° | 162.3° |
| C13 | RU | C14 | C18 | 134.4° | 109.3° |
| C13 | RU | C14 | C19 | 91.1° | 88.1° |
| C13 | RU | C14 | C20 | 48.4° | 113.6° |
| C13 | RU | C15 | C16 | 149.2° | 129.3° |
| C13 | RU | C15 | C17 | 172.0° | 161.7° |
| C13 | RU | C15 | C18 | 131.4° | 160.8° |
| C13 | RU | C15 | C19 | 101.5° | 82.9° |
| C13 | RU | C15 | C20 | 120.9° | 93.4° |
| C13 | RU | C16 | C17 | 179.1° | 172.6° |
| C13 | RU | C16 | C18 | 143.8° | 135.2° |
| C13 | RU | C16 | C19 | 101.2° | 93.1° |
| C13 | RU | C16 | C20 | 62.7° | 55.8° |
| C13 | RU | C17 | C18 | 64.7° | 95.9° |
| C13 | RU | C17 | C19 | 103.6° | 59.0° |
| C13 | RU | C17 | C20 | 146.1° | 16.8° |
| C13 | RU | C18 | C19 | 77.5° | 35.0° |
| C13 | RU | C18 | C20 | 114.2° | 72.7° |
| C13 | RU | C19 | C20 | 110.3° | 85.3° |
| RU | C13 | C14 | H3 | 103.0° | 118.2° |
| C13 | RU | C18 | C24 | 46.5° | 88.7° |
| C13 | RU | C11 | H1 | 158.8° | 158.2° |
| RU | C13 | C14 | H4 | 104.2° | 117.4° |
| C13 | RU | C15 | H5 | 159.3° | 158.7° |
| C13 | RU | C16 | H6 | 58.4° | 65.6° |
| C13 | RU | C17 | H7 | 56.2° | 143.0° |
| C13 | RU | C19 | H8 | 10.5° | 35.7° |
| C13 | RU | C20 | H9 | 26.8° | 16.4° |
| C14 | RU | C15 | C16 | 173.0° | 91.9° |
| C14 | RU | C15 | C17 | 134.1° | 124.3° |
| C14 | RU | C15 | C18 | 93.5° | 123.5° |
| C14 | RU | C15 | C19 | 63.6° | 45.6° |
| C14 | RU | C15 | C20 | 158.7° | 56.0° |
| C14 | RU | C16 | C17 | 57.0° | 165.2° |
| C14 | RU | C16 | C18 | 94.0° | 157.4° |
| C14 | RU | C16 | C19 | 136.7° | 115.4° |
| C14 | RU | C16 | C20 | 175.2° | 78.0° |
| C14 | RU | C17 | C18 | 78.5° | 137.0° |
| C14 | RU | C17 | C19 | 117.4° | 100.2° |
| C14 | RU | C17 | C20 | 159.9° | 57.9° |
| C14 | RU | C18 | C19 | 117.8° | 32.9° |
| C14 | RU | C18 | C20 | 154.5° | 4.9° |
| C14 | RU | C19 | C20 | 154.5° | 45.2° |
| RU | C14 | C15 | H4 | 104.1° | 117.2° |
| C14 | RU | C18 | C24 | 6.3° | 156.5° |
| C14 | RU | C11 | H1 | 158.9° | 159.2° |
| C14 | RU | C12 | H2 | 158.9° | 158.9° |
| RU | C14 | C15 | H5 | 103.5° | 117.7° |
| C14 | RU | C16 | H6 | 63.8° | 43.3° |
| C14 | RU | C17 | H7 | 42.4° | 101.9° |
| C14 | RU | C19 | H8 | 33.7° | 75.8° |
| C14 | RU | C20 | H9 | 60.4° | 18.5° |
| C15 | RU | C16 | C17 | 74.8° | 127.1° |
| C15 | RU | C16 | C18 | 111.8° | 164.5° |
| C15 | RU | C16 | C19 | 154.5° | 153.4° |
| C15 | RU | C16 | C20 | 167.0° | 116.1° |
| C15 | RU | C17 | C18 | 115.8° | 179.4° |
| C15 | RU | C17 | C19 | 154.6° | 142.5° |
| C15 | RU | C17 | C20 | 162.8° | 100.3° |
| C15 | RU | C18 | C19 | 160.9° | 117.0° |
| C15 | RU | C18 | C20 | 162.4° | 79.2° |
| C15 | RU | C19 | C20 | 161.7° | 16.3° |
| C15 | RU | C18 | C24 | 36.8° | 119.4° |
| C15 | RU | C12 | H2 | 158.7° | 158.2° |
| C15 | RU | C13 | H3 | 159.0° | 158.9° |
| C15 | RU | C16 | H6 | 46.0° | 5.3° |
| C15 | RU | C17 | H7 | 5.1° | 59.5° |
| C15 | RU | C19 | H8 | 77.5° | 104.7° |
| C15 | RU | C20 | H9 | 84.7° | 49.1° |
| C16 | RU | C17 | C18 | 118.0° | 117.2° |
| C16 | RU | C17 | C19 | 79.1° | 80.4° |
| C16 | RU | C17 | C20 | 36.6° | 38.1° |
| C16 | RU | C18 | C19 | 78.1° | 80.8° |
| C16 | RU | C18 | C20 | 41.4° | 43.0° |
| C16 | RU | C19 | C20 | 37.8° | 37.9° |
| RU | C16 | C17 | H6 | 102.8° | 117.6° |
| RU | C16 | C20 | H6 | 102.3° | 117.3° |
| C16 | RU | C18 | C24 | 157.8° | 155.6° |
| C16 | RU | C11 | H1 | 8.1° | 84.0° |
| C16 | RU | C12 | H2 | 37.1° | 179.3° |
| C16 | RU | C13 | H3 | 79.0° | 83.2° |
| C16 | RU | C14 | H4 | 98.9° | 29.2° |
| C16 | RU | C15 | H5 | 51.6° | 29.4° |
| RU | C16 | C17 | H7 | 103.8° | 118.0° |
| C16 | RU | C19 | H8 | 158.6° | 158.8° |
| RU | C16 | C20 | H9 | 104.8° | 117.0° |
| C17 | RU | C18 | C19 | 114.9° | 118.2° |
| C17 | RU | C18 | C20 | 78.2° | 80.5° |
| C17 | RU | C19 | C20 | 80.0° | 79.9° |
| RU | C17 | C18 | H7 | 102.3° | 118.3° |
| C17 | RU | C18 | C24 | 121.0° | 118.1° |
| C17 | RU | C11 | H1 | 31.6° | 36.7° |
| C17 | RU | C12 | H2 | 71.0° | 66.0° |
| C17 | RU | C13 | H3 | 104.5° | 67.2° |
| C17 | RU | C14 | H4 | 54.4° | 41.1° |
| C17 | RU | C15 | H5 | 12.7° | 3.0° |
| C17 | RU | C19 | H8 | 159.2° | 159.1° |
| C17 | RU | C20 | H9 | 159.4° | 158.8° |
| C18 | RU | C19 | C20 | 118.5° | 116.8° |
| RU | C18 | C19 | C24 | 114.8° | 117.1° |
| RU | C18 | C24 | C25 | 81.4° | 91.4° |
| RU | C18 | C24 | O28 | 98.0° | 88.6° |
| C18 | RU | C11 | H1 | 61.5° | 11.7° |
| C18 | RU | C12 | H2 | 68.0° | 5.6° |
| C18 | RU | C13 | H3 | 49.4° | 7.4° |
| C18 | RU | C14 | H4 | 12.4° | 11.9° |
| C18 | RU | C15 | H5 | 27.9° | 2.2° |
| C18 | RU | C16 | H6 | 157.8° | 159.2° |
| RU | C18 | C19 | H8 | 102.7° | 118.6° |
| C18 | RU | C20 | H9 | 158.5° | 159.0° |
| RU | C19 | C20 | H8 | 103.2° | 118.2° |
| C19 | RU | C11 | H1 | 58.4° | 120.1° |
| C19 | RU | C12 | H2 | 41.3° | 58.7° |
| C19 | RU | C13 | H3 | 6.0° | 14.0° |
| C19 | RU | C14 | H4 | 31.0° | 33.1° |
| C19 | RU | C15 | H5 | 57.8° | 75.7° |
| C19 | RU | C16 | H6 | 159.5° | 158.7° |
| C19 | RU | C17 | H7 | 159.7° | 158.0° |
| RU | C19 | C20 | H9 | 104.0° | 117.3° |
| C20 | RU | C18 | C24 | 160.8° | 161.4° |
| C20 | RU | C11 | H1 | 44.7° | 133.4° |
| C20 | RU | C12 | H2 | 3.6° | 111.7° |
| C20 | RU | C13 | H3 | 38.3° | 52.0° |
| C20 | RU | C14 | H4 | 73.7° | 7.6° |
| C20 | RU | C15 | H5 | 79.9° | 65.3° |
| C20 | RU | C17 | H7 | 157.7° | 159.7° |
| C12 | C11 | C15 | H1 | 164.6° | 179.7° |
| C11 | C12 | C13 | H2 | 166.8° | 179.3° |
| C11 | C12 | C13 | C14 | 1.4° | 0.6° |
| C12 | C11 | C15 | C14 | 0.9° | 0.0° |
| C11 | C12 | C13 | H3 | 166.9° | 179.8° |
| C12 | C11 | C15 | H5 | 166.1° | 179.7° |
| C15 | C11 | C12 | C13 | 1.4° | 0.4° |
| C11 | C15 | C14 | C13 | 0.0° | 0.3° |
| C11 | C15 | C14 | H5 | 167.0° | 179.7° |
| C15 | C11 | C12 | H2 | 165.5° | 179.7° |
| C11 | C15 | C14 | H4 | 167.6° | 179.8° |
| C12 | C13 | C14 | H3 | 165.5° | 179.2° |
| C12 | C13 | C14 | C15 | 0.9° | 0.6° |
| C13 | C12 | C11 | H1 | 166.0° | 179.9° |
| C12 | C13 | C14 | H4 | 166.7° | 180.0° |
| C13 | C14 | C15 | H4 | 167.6° | 179.4° |
| C14 | C13 | C12 | H2 | 165.5° | 179.9° |
| C13 | C14 | C15 | H5 | 167.0° | 179.9° |
| C14 | C15 | C11 | H1 | 165.5° | 179.8° |
| C15 | C14 | C13 | H3 | 166.4° | 179.8° |
| C17 | C16 | C20 | H6 | 163.7° | 180.0° |
| C16 | C17 | C18 | H7 | 164.7° | 179.3° |
| C16 | C17 | C18 | C19 | 2.5° | 0.9° |
| C16 | C17 | C18 | C24 | 177.6° | 179.6° |
| C17 | C16 | C20 | C19 | 2.5° | 0.3° |
| C17 | C16 | C20 | H9 | 166.2° | 179.7° |
| C20 | C16 | C17 | C18 | 0.0° | 0.4° |
| C16 | C20 | C19 | C18 | 4.0° | 0.8° |
| C16 | C20 | C19 | H9 | 168.7° | 179.4° |
| C20 | C16 | C17 | H7 | 164.8° | 179.6° |
| C16 | C20 | C19 | H8 | 167.9° | 179.7° |
| C17 | C18 | C19 | C24 | 180.0° | 178.7° |
| C17 | C18 | C19 | C20 | 4.0° | 1.0° |
| C17 | C18 | C24 | C25 | 8.1° | 179.1° |
| C17 | C18 | C24 | O28 | 172.5° | 0.8° |
| C18 | C17 | C16 | H6 | 163.8° | 179.6° |
| C17 | C18 | C19 | H8 | 167.9° | 179.9° |
| C18 | C19 | C20 | H8 | 163.9° | 178.9° |
| C19 | C18 | C24 | C25 | 171.9° | 0.6° |
| C19 | C18 | C24 | O28 | 7.5° | 179.3° |
| C19 | C18 | C17 | H7 | 167.2° | 179.9° |
| C18 | C19 | C20 | H9 | 164.7° | 179.8° |
| C24 | C18 | C19 | C20 | 176.0° | 179.7° |
| C18 | C24 | C25 | O28 | 179.4° | 180.0° |
| C18 | C24 | C25 | C26 | 177.3° | 78.5° |
| C18 | C24 | C25 | H10 | 57.0° | 42.9° |
| C18 | C24 | C25 | H11 | 62.3° | 159.9° |
| C24 | C18 | C17 | H7 | 12.8° | 1.1° |
| C24 | C18 | C19 | H8 | 12.2° | 1.5° |
| C19 | C20 | C16 | H6 | 166.1° | 179.8° |
| C24 | C25 | C26 | H10 | 120.4° | 121.4° |
| C24 | C25 | C26 | H11 | 120.3° | 121.7° |
| C24 | C25 | C26 | C27 | 66.4° | 76.9° |
| C24 | C25 | H10 | H11 | 118.9° | 118.0° |
| C24 | C25 | C26 | H12 | 173.5° | 45.1° |
| C24 | C25 | C26 | H13 | 53.8° | 161.8° |
| O28 | C24 | C25 | C26 | 3.3° | 101.5° |
| O28 | C24 | C25 | H10 | 123.6° | 137.1° |
| O28 | C24 | C25 | H11 | 117.1° | 20.1° |
| C25 | C26 | C27 | H12 | 120.1° | 121.6° |
| C25 | C26 | C27 | H13 | 120.2° | 121.0° |
| C25 | C26 | C27 | O29 | 27.7° | 95.5° |
| C25 | C26 | C27 | N30 | 151.5° | 84.8° |
| C26 | C25 | H10 | H11 | 118.9° | 117.9° |
| C25 | C26 | H12 | H13 | 119.6° | 116.9° |
| C26 | C27 | O29 | N30 | 179.1° | 179.7° |
| C26 | C27 | N30 | C31 | 177.2° | 178.2° |
| C27 | C26 | C25 | H10 | 54.0° | 161.8° |
| C27 | C26 | C25 | H11 | 173.3° | 44.8° |
| C27 | C26 | H12 | H13 | 119.5° | 118.1° |
| C26 | C27 | N30 | H14 | 2.8° | 1.7° |
| O29 | C27 | N30 | C31 | 3.7° | 1.5° |
| O29 | C27 | C26 | H12 | 92.5° | 142.9° |
| O29 | C27 | C26 | H13 | 147.8° | 25.5° |
| O29 | C27 | N30 | H14 | 176.3° | 178.6° |
| C27 | N30 | C31 | H14 | 180.0° | 179.9° |
| C27 | N30 | C31 | C32 | 79.8° | 141.6° |
| C27 | N30 | C31 | C34 | 157.1° | 92.4° |
| N30 | C27 | C26 | H12 | 88.4° | 36.8° |
| N30 | C27 | C26 | H13 | 31.3° | 154.2° |
| C27 | N30 | C31 | H15 | 40.4° | 24.0° |
| N30 | C31 | C32 | C34 | 120.3° | 124.1° |
| N30 | C31 | C32 | H15 | 120.8° | 118.0° |
| N30 | C31 | C34 | H15 | 117.4° | 117.4° |
| N30 | C31 | C32 | O38 | 48.6° | 46.7° |
| N30 | C31 | C32 | O67 | 129.1° | 133.5° |
| N30 | C31 | C34 | N33 | 176.2° | 65.6° |
| N30 | C31 | C34 | S49 | 58.2° | 175.1° |
| N30 | C31 | C34 | H18 | 60.6° | 57.9° |
| C32 | C31 | C34 | H15 | 119.1° | 118.5° |
| C31 | C32 | O38 | O67 | 177.7° | 179.8° |
| C32 | C31 | C34 | N33 | 60.2° | 58.6° |
| C32 | C31 | C34 | S49 | 178.2° | 60.8° |
| C32 | C31 | N30 | H14 | 100.2° | 38.5° |
| C32 | C31 | C34 | H18 | 63.0° | 178.0° |
| C31 | C32 | O67 | H27 | 177.8° | 179.9° |
| C34 | C31 | C32 | O38 | 71.7° | 77.4° |
| C34 | C31 | C32 | O67 | 110.6° | 102.4° |
| C31 | C34 | N33 | S49 | 123.2° | 122.8° |
| C31 | C34 | N33 | H18 | 122.7° | 123.0° |
| C31 | C34 | N33 | C51 | 160.0° | 161.7° |
| C31 | C34 | S49 | H18 | 120.4° | 118.4° |
| C31 | C34 | S49 | C50 | 141.5° | 138.0° |
| C34 | C31 | N30 | H14 | 22.9° | 87.5° |
| C31 | C34 | N33 | H16 | 79.5° | 29.5° |
| O38 | C32 | C31 | H15 | 169.4° | 164.7° |
| O38 | C32 | O67 | H27 | 0.0° | 0.3° |
| O67 | C32 | C31 | H15 | 8.4° | 15.5° |
| C34 | N33 | C51 | H16 | 120.5° | 134.0° |
| N33 | C34 | S49 | H18 | 116.8° | 116.1° |
| N33 | C34 | S49 | C50 | 18.7° | 12.5° |
| C34 | N33 | C51 | C50 | 39.7° | 50.5° |
| C34 | N33 | C51 | C63 | 163.9° | 175.8° |
| N33 | C34 | C31 | H15 | 58.8° | 177.1° |
| C34 | N33 | C51 | H19 | 76.7° | 66.7° |
| C51 | N33 | C34 | S49 | 36.8° | 39.0° |
| N33 | C51 | C50 | S49 | 22.3° | 36.8° |
| N33 | C51 | C50 | C63 | 123.5° | 122.3° |
| N33 | C51 | C50 | H19 | 117.2° | 116.2° |
| N33 | C51 | C50 | C52 | 140.3° | 152.6° |
| N33 | C51 | C50 | C53 | 97.2° | 78.2° |
| N33 | C51 | C63 | H19 | 119.7° | 118.3° |
| N33 | C51 | C63 | O64 | 156.6° | 24.3° |
| N33 | C51 | C63 | O65 | 14.8° | 155.5° |
| C51 | N33 | C34 | H18 | 77.3° | 75.3° |
| C34 | S49 | C50 | C51 | 1.8° | 13.8° |
| C34 | S49 | C50 | C52 | 119.0° | 133.7° |
| C34 | S49 | C50 | C53 | 119.0° | 108.9° |
| S49 | C34 | C31 | H15 | 59.2° | 57.7° |
| S49 | C34 | N33 | H16 | 157.3° | 93.3° |
| S49 | C50 | C51 | C52 | 118.0° | 115.8° |
| S49 | C50 | C51 | C53 | 119.5° | 115.0° |
| S49 | C50 | C52 | C53 | 121.9° | 113.8° |
| S49 | C50 | C51 | C63 | 145.8° | 159.2° |
| C50 | S49 | C34 | H18 | 98.1° | 103.6° |
| S49 | C50 | C51 | H19 | 94.9° | 79.4° |
| S49 | C50 | C52 | H20 | 180.0° | 177.9° |
| S49 | C50 | C52 | H21 | 60.0° | 62.1° |
| S49 | C50 | C52 | H22 | 60.0° | 57.5° |
| S49 | C50 | C53 | H23 | 180.0° | 55.1° |
| S49 | C50 | C53 | H24 | 60.0° | 64.5° |
| S49 | C50 | C53 | H25 | 60.0° | 175.4° |
| C51 | C50 | C52 | C53 | 123.5° | 132.1° |
| C50 | C51 | C63 | H19 | 118.9° | 122.9° |
| C50 | C51 | C63 | O64 | 82.0° | 94.6° |
| C50 | C51 | C63 | O65 | 106.7° | 85.6° |
| C50 | C51 | N33 | H16 | 160.1° | 83.5° |
| C51 | C50 | C52 | H20 | 65.4° | 68.0° |
| C51 | C50 | C52 | H21 | 174.6° | 52.0° |
| C51 | C50 | C52 | H22 | 54.6° | 171.7° |
| C51 | C50 | C53 | H23 | 63.6° | 169.7° |
| C51 | C50 | C53 | H24 | 56.4° | 50.1° |
| C51 | C50 | C53 | H25 | 176.4° | 70.0° |
| C52 | C50 | C51 | C63 | 96.1° | 85.0° |
| C52 | C50 | C51 | H19 | 23.1° | 36.4° |
| C50 | C52 | H20 | H21 | 120.0° | 120.4° |
| C50 | C52 | H20 | H22 | 120.0° | 120.7° |
| C50 | C52 | H21 | H22 | 120.0° | 120.3° |
| C52 | C50 | C53 | H23 | 58.1° | 60.0° |
| C52 | C50 | C53 | H24 | 178.1° | 179.6° |
| C52 | C50 | C53 | H25 | 61.9° | 60.4° |
| C53 | C50 | C51 | C63 | 26.3° | 44.1° |
| C53 | C50 | C51 | H19 | 145.6° | 165.5° |
| C53 | C50 | C52 | H20 | 58.1° | 64.1° |
| C53 | C50 | C52 | H21 | 61.9° | 175.9° |
| C53 | C50 | C52 | H22 | 178.1° | 56.3° |
| C50 | C53 | H23 | H24 | 120.0° | 120.0° |
| C50 | C53 | H23 | H25 | 120.0° | 120.7° |
| C50 | C53 | H24 | H25 | 120.0° | 120.5° |
| C51 | C63 | O64 | O65 | 171.2° | 179.8° |
| C63 | C51 | N33 | H16 | 75.6° | 41.8° |
| C51 | C63 | O65 | H26 | 171.3° | 179.9° |
| O64 | C63 | C51 | H19 | 36.9° | 142.6° |
| O64 | C63 | O65 | H26 | 0.0° | 0.0° |
| O65 | C63 | C51 | H19 | 134.4° | 37.3° |
| H10 | C25 | C26 | H12 | 66.2° | 76.2° |
| H10 | C25 | C26 | H13 | 174.1° | 40.4° |
| H11 | C25 | C26 | H12 | 53.1° | 166.8° |
| H11 | C25 | C26 | H13 | 66.6° | 76.5° |
| H14 | N30 | C31 | H15 | 139.6° | 156.2° |
| H15 | C31 | C34 | H18 | 178.0° | 59.5° |
| H16 | N33 | C34 | H18 | 43.2° | 152.5° |
| H16 | N33 | C51 | H19 | 43.8° | 159.3° |
| H20 | C52 | H21 | H22 | 120.0° | 119.3° |
| H23 | C53 | H24 | H25 | 120.0° | 119.4° |
| H1 | C11 | C12 | H2 | 0.8° | 0.6° |
| H1 | C11 | C15 | H5 | 1.5° | 0.0° |
| H2 | C12 | C13 | H3 | 0.0° | 0.9° |
| H3 | C13 | C14 | H4 | 1.2° | 0.8° |
| H4 | C14 | C15 | H5 | 0.6° | 0.5° |
| H6 | C16 | C17 | H7 | 1.0° | 0.4° |
| H6 | C16 | C20 | H9 | 2.5° | 0.3° |
| H8 | C19 | C20 | H9 | 0.8° | 0.9° |
