8CY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | S49 | sing | 1.81Å | 1.76Å | |
| C1 | C50 | sing | 1.51Å | 1.53Å | |
| C11 | C12 | doub | 1.41Å | 1.38Å | |
| C11 | C15 | sing | 1.41Å | 1.36Å | |
| C11 | RU | sing | 2.17Å | 2.18Å | |
| C12 | C13 | sing | 1.41Å | 1.38Å | |
| C12 | RU | sing | 2.17Å | 2.17Å | |
| C13 | C14 | sing | 1.41Å | 1.40Å | |
| C13 | RU | sing | 2.18Å | 2.19Å | |
| C14 | C15 | doub | 1.41Å | 1.38Å | |
| C14 | RU | sing | 2.17Å | 2.19Å | |
| C15 | RU | sing | 2.17Å | 2.18Å | |
| C16 | C17 | doub | 1.38Å | 1.38Å | |
| C16 | C20 | sing | 1.43Å | 1.36Å | |
| C16 | RU | sing | 2.17Å | 2.21Å | |
| C17 | C18 | sing | 1.38Å | 1.40Å | |
| C17 | RU | sing | 2.19Å | 2.16Å | |
| C18 | C24 | sing | 1.40Å | 1.52Å | |
| C18 | RU | sing | 2.14Å | 2.15Å | |
| C18 | C19 | sing | 1.38Å | 1.41Å | |
| C20 | RU | sing | 2.17Å | 2.19Å | |
| C20 | C19 | doub | 1.38Å | 1.41Å | |
| C31 | C34 | sing | 1.56Å | 1.47Å | |
| C31 | C32 | sing | 1.54Å | 1.46Å | |
| C31 | N30 | sing | 1.46Å | 1.44Å | |
| C34 | S49 | sing | 1.81Å | 1.81Å | |
| C34 | N33 | sing | 1.47Å | 1.43Å | |
| O67 | C32 | doub | 1.25Å | 1.19Å | |
| C50 | C52 | sing | 1.51Å | 1.51Å | |
| C50 | C51 | doub | 1.36Å | 1.35Å | |
| C51 | C63 | sing | 1.53Å | 1.46Å | |
| C51 | N33 | sing | 1.38Å | 1.29Å | |
| C63 | O65 | doub | 1.25Å | 1.18Å | |
| C63 | O64 | sing | 1.25Å | 1.21Å | |
| N30 | C27 | sing | 1.35Å | 1.31Å | |
| C27 | O29 | doub | 1.24Å | 1.13Å | |
| C27 | C26 | sing | 1.52Å | 1.51Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C25 | C24 | sing | 1.52Å | 1.49Å | |
| C24 | O28 | doub | 1.24Å | 1.14Å | |
| RU | C19 | sing | 2.19Å | 2.15Å | |
| C1 | H1 | sing | 0.98Å | 1.10Å | |
| C1 | H2 | sing | 0.98Å | 1.10Å | |
| C31 | H11 | sing | 0.99Å | 1.10Å | |
| C34 | H12 | sing | 0.98Å | 1.10Å | |
| C52 | H16 | sing | 0.97Å | 1.10Å | |
| C52 | H17 | sing | 0.97Å | 1.10Å | |
| C52 | H18 | sing | 0.97Å | 1.10Å | |
| O64 | H19 | sing | 14.30Å | 0.95Å | |
| N33 | H20 | sing | 0.87Å | 1.00Å | |
| N30 | H21 | sing | 0.88Å | 1.00Å | |
| C26 | H22 | sing | 0.98Å | 1.10Å | |
| C26 | H23 | sing | 0.98Å | 1.10Å | |
| C25 | H24 | sing | 0.98Å | 1.10Å | |
| C25 | H25 | sing | 0.98Å | 1.10Å | |
| C32 | O1 | sing | 1.25Å | 1.39Å | |
| O1 | H3 | sing | 14.43Å | 0.95Å | |
| H4 | C12 | sing | 0.94Å | 1.10Å | |
| H5 | C13 | sing | 0.94Å | 1.10Å | |
| H6 | C14 | sing | 0.94Å | 1.10Å | |
| H7 | C15 | sing | 0.94Å | 1.10Å | |
| H8 | C11 | sing | 0.94Å | 1.10Å | |
| H9 | C16 | sing | 0.95Å | 1.10Å | |
| H10 | C17 | sing | 0.95Å | 1.10Å | |
| H13 | C19 | sing | 0.94Å | 1.10Å | |
| H14 | C20 | sing | 0.95Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S49 | C1 | C50 | 112.8° | 114.7° |
| C1 | S49 | C34 | 99.2° | 96.6° |
| S49 | C1 | H1 | 108.6° | 108.2° |
| S49 | C1 | H2 | 108.6° | 108.6° |
| C1 | C50 | C52 | 113.0° | 113.8° |
| C1 | C50 | C51 | 125.0° | 119.3° |
| C50 | C1 | H1 | 108.7° | 109.9° |
| C50 | C1 | H2 | 108.6° | 108.2° |
| C12 | C11 | C15 | 108.9° | 108.0° |
| C12 | C11 | RU | 71.2° | 71.0° |
| C11 | C12 | C13 | 107.1° | 108.0° |
| C11 | C12 | RU | 71.8° | 71.0° |
| C11 | C12 | H4 | 125.9° | 126.0° |
| C12 | C11 | H8 | 124.3° | 126.0° |
| C15 | C11 | RU | 71.8° | 71.0° |
| C11 | C15 | C14 | 109.1° | 108.0° |
| C11 | C15 | RU | 71.9° | 71.1° |
| C11 | C15 | H7 | 125.1° | 126.0° |
| C15 | C11 | H8 | 124.9° | 126.0° |
| C11 | RU | C12 | 36.9° | 37.9° |
| C11 | RU | C13 | 61.0° | 63.4° |
| C11 | RU | C14 | 61.3° | 63.5° |
| C11 | RU | C15 | 36.3° | 38.0° |
| C11 | RU | C16 | 171.7° | 161.7° |
| C11 | RU | C17 | 142.2° | 159.8° |
| C11 | RU | C18 | 111.8° | 127.1° |
| C11 | RU | C20 | 136.6° | 127.1° |
| C11 | RU | C19 | 110.1° | 113.1° |
| RU | C11 | H8 | 110.9° | 123.5° |
| C13 | C12 | RU | 72.4° | 71.1° |
| C12 | C13 | C14 | 108.5° | 108.0° |
| C12 | C13 | RU | 70.8° | 71.0° |
| C13 | C12 | H4 | 125.8° | 126.0° |
| C12 | C13 | H5 | 125.1° | 125.9° |
| C12 | RU | C13 | 36.9° | 37.9° |
| C12 | RU | C14 | 62.2° | 63.5° |
| C12 | RU | C15 | 61.6° | 63.5° |
| C12 | RU | C16 | 150.1° | 159.6° |
| C12 | RU | C17 | 121.5° | 126.5° |
| C12 | RU | C18 | 114.6° | 113.0° |
| C12 | RU | C20 | 173.2° | 159.6° |
| C12 | RU | C19 | 136.7° | 126.5° |
| RU | C12 | H4 | 111.8° | 123.6° |
| C14 | C13 | RU | 71.6° | 71.0° |
| C13 | C14 | C15 | 106.4° | 108.0° |
| C13 | C14 | RU | 71.2° | 71.1° |
| C14 | C13 | H5 | 124.6° | 126.0° |
| C13 | C14 | H6 | 125.7° | 126.0° |
| C13 | RU | C14 | 37.2° | 37.9° |
| C13 | RU | C15 | 61.2° | 63.5° |
| C13 | RU | C16 | 127.2° | 127.1° |
| C13 | RU | C17 | 125.1° | 113.0° |
| C13 | RU | C18 | 143.8° | 126.9° |
| C13 | RU | C20 | 147.6° | 161.7° |
| C13 | RU | C19 | 171.0° | 159.6° |
| RU | C13 | H5 | 111.3° | 123.5° |
| C15 | C14 | RU | 70.9° | 71.0° |
| C14 | C15 | RU | 72.3° | 71.1° |
| C15 | C14 | H6 | 126.3° | 126.0° |
| C14 | C15 | H7 | 124.4° | 126.0° |
| C14 | RU | C15 | 36.8° | 38.0° |
| C14 | RU | C16 | 123.6° | 114.2° |
| C14 | RU | C17 | 149.5° | 127.4° |
| C14 | RU | C18 | 172.5° | 160.3° |
| C14 | RU | C20 | 118.6° | 128.6° |
| C14 | RU | C19 | 138.8° | 161.1° |
| RU | C14 | H6 | 111.8° | 123.6° |
| C15 | RU | C16 | 143.0° | 128.5° |
| C15 | RU | C17 | 173.3° | 161.0° |
| C15 | RU | C18 | 135.8° | 160.5° |
| C15 | RU | C20 | 114.5° | 114.2° |
| C15 | RU | C19 | 110.9° | 127.5° |
| RU | C15 | H7 | 110.9° | 123.6° |
| C17 | C16 | C20 | 108.9° | 107.8° |
| C17 | C16 | RU | 69.6° | 72.1° |
| C16 | C17 | C18 | 109.6° | 106.7° |
| C16 | C17 | RU | 73.5° | 71.1° |
| C17 | C16 | H9 | 123.9° | 125.7° |
| C16 | C17 | H10 | 124.8° | 126.0° |
| C20 | C16 | RU | 71.2° | 70.8° |
| C16 | C20 | RU | 72.8° | 70.8° |
| C16 | C20 | C19 | 107.8° | 107.8° |
| C20 | C16 | H9 | 124.5° | 126.5° |
| C16 | C20 | H14 | 126.0° | 126.6° |
| C16 | RU | C17 | 36.9° | 36.8° |
| C16 | RU | C18 | 62.9° | 61.6° |
| C16 | RU | C20 | 36.0° | 38.4° |
| C16 | RU | C19 | 61.7° | 62.7° |
| RU | C16 | H9 | 110.4° | 122.6° |
| C18 | C17 | RU | 70.7° | 69.6° |
| C17 | C18 | C24 | 125.2° | 115.7° |
| C17 | C18 | RU | 71.3° | 73.3° |
| C17 | C18 | C19 | 105.2° | 111.0° |
| C18 | C17 | H10 | 124.3° | 127.3° |
| C17 | RU | C18 | 38.0° | 37.1° |
| C17 | RU | C20 | 61.8° | 62.6° |
| C17 | RU | C19 | 62.6° | 62.6° |
| RU | C17 | H10 | 111.4° | 124.3° |
| C24 | C18 | RU | 118.7° | 159.3° |
| C24 | C18 | C19 | 129.5° | 116.6° |
| C18 | C24 | C25 | 114.1° | 116.6° |
| C18 | C24 | O28 | 121.6° | 121.4° |
| RU | C18 | C19 | 70.8° | 73.4° |
| C18 | RU | C20 | 63.8° | 61.6° |
| C18 | RU | C19 | 38.4° | 37.2° |
| C18 | C19 | C20 | 108.5° | 106.6° |
| C18 | C19 | RU | 70.7° | 69.5° |
| C18 | C19 | H13 | 124.9° | 127.3° |
| RU | C20 | C19 | 69.7° | 72.2° |
| C20 | RU | C19 | 37.9° | 36.8° |
| RU | C20 | H14 | 111.4° | 122.6° |
| C20 | C19 | RU | 72.4° | 71.0° |
| C20 | C19 | H13 | 125.1° | 126.1° |
| C19 | C20 | H14 | 124.5° | 125.6° |
| C34 | C31 | C32 | 112.6° | 110.9° |
| C34 | C31 | N30 | 121.6° | 114.1° |
| C31 | C34 | S49 | 116.6° | 107.3° |
| C31 | C34 | N33 | 101.0° | 113.4° |
| C34 | C31 | H11 | 96.6° | 108.2° |
| C31 | C34 | H12 | 111.7° | 106.7° |
| C32 | C31 | N30 | 121.9° | 111.6° |
| C31 | C32 | O67 | 107.2° | 118.0° |
| C32 | C31 | H11 | 96.6° | 104.7° |
| C31 | C32 | O1 | 125.0° | 117.5° |
| C31 | N30 | C27 | 136.0° | 124.7° |
| N30 | C31 | H11 | 96.7° | 106.7° |
| C31 | N30 | H21 | 112.0° | 117.3° |
| S49 | C34 | N33 | 107.7° | 112.7° |
| S49 | C34 | H12 | 107.5° | 107.6° |
| C34 | N33 | C51 | 124.6° | 129.7° |
| N33 | C34 | H12 | 112.3° | 108.8° |
| C34 | N33 | H20 | 105.6° | 115.1° |
| O67 | C32 | O1 | 124.5° | 124.4° |
| C52 | C50 | C51 | 121.8° | 126.9° |
| C50 | C52 | H16 | 109.5° | 109.7° |
| C50 | C52 | H17 | 109.5° | 111.0° |
| C50 | C52 | H18 | 109.5° | 109.7° |
| C50 | C51 | C63 | 122.4° | 127.1° |
| C50 | C51 | N33 | 122.4° | 122.2° |
| C63 | C51 | N33 | 114.9° | 110.8° |
| C51 | C63 | O65 | 120.9° | 120.5° |
| C51 | C63 | O64 | 116.3° | 115.7° |
| C51 | N33 | H20 | 105.6° | 115.2° |
| O65 | C63 | O64 | 122.7° | 123.7° |
| C63 | O64 | H19 | 109.5° | 91.6° |
| N30 | C27 | O29 | 125.2° | 122.7° |
| N30 | C27 | C26 | 110.4° | 117.5° |
| C27 | N30 | H21 | 112.0° | 118.0° |
| O29 | C27 | C26 | 124.4° | 119.8° |
| C27 | C26 | C25 | 111.1° | 113.6° |
| C27 | C26 | H22 | 109.1° | 109.5° |
| C27 | C26 | H23 | 109.0° | 108.5° |
| C26 | C25 | C24 | 111.2° | 119.6° |
| C25 | C26 | H22 | 109.1° | 109.2° |
| C25 | C26 | H23 | 109.1° | 108.4° |
| C26 | C25 | H24 | 109.0° | 105.5° |
| C26 | C25 | H25 | 109.0° | 108.2° |
| C25 | C24 | O28 | 124.3° | 121.9° |
| C24 | C25 | H24 | 109.0° | 108.2° |
| C24 | C25 | H25 | 109.0° | 107.8° |
| RU | C19 | H13 | 112.1° | 124.4° |
| H1 | C1 | H2 | 109.5° | 107.1° |
| H16 | C52 | H17 | 109.5° | 107.3° |
| H16 | C52 | H18 | 109.4° | 109.5° |
| H17 | C52 | H18 | 109.5° | 109.6° |
| H22 | C26 | H23 | 109.4° | 107.4° |
| H24 | C25 | H25 | 109.5° | 106.8° |
| C32 | O1 | H3 | 109.5° | 12.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S49 | C1 | C50 | H1 | 120.5° | 122.1° |
| S49 | C1 | C50 | H2 | 120.5° | 121.3° |
| C1 | S49 | C34 | C31 | 168.1° | 166.5° |
| C1 | S49 | C34 | N33 | 55.6° | 41.0° |
| S49 | C1 | C50 | C52 | 172.4° | 139.8° |
| S49 | C1 | C50 | C51 | 11.8° | 42.6° |
| S49 | C1 | H1 | H2 | 118.5° | 116.9° |
| C1 | S49 | C34 | H12 | 65.7° | 79.0° |
| C50 | C1 | S49 | C34 | 37.7° | 54.1° |
| C1 | C50 | C52 | C51 | 176.0° | 177.4° |
| C1 | C50 | C51 | C63 | 177.8° | 169.7° |
| C1 | C50 | C51 | N33 | 3.8° | 8.7° |
| C50 | C1 | H1 | H2 | 118.5° | 117.3° |
| C1 | C50 | C52 | H16 | 180.0° | 148.1° |
| C1 | C50 | C52 | H17 | 60.0° | 29.7° |
| C1 | C50 | C52 | H18 | 60.0° | 91.5° |
| C12 | C11 | C15 | RU | 61.9° | 61.7° |
| C12 | C11 | C15 | H8 | 165.2° | 179.9° |
| C12 | C11 | RU | H8 | 120.5° | 121.2° |
| C11 | C12 | C13 | RU | 63.8° | 61.8° |
| C11 | C12 | C13 | H4 | 168.4° | 179.9° |
| C11 | C12 | RU | H4 | 122.3° | 121.2° |
| C11 | C12 | C13 | C14 | 1.8° | 0.1° |
| C12 | C11 | C15 | C14 | 1.2° | 0.1° |
| C11 | C12 | RU | C14 | 78.3° | 80.1° |
| C11 | C12 | RU | C16 | 171.9° | 168.4° |
| C11 | C12 | RU | C17 | 136.7° | 161.6° |
| C11 | C12 | RU | C18 | 94.1° | 121.3° |
| C11 | C12 | RU | C20 | 19.7° | 51.0° |
| C12 | C11 | RU | C19 | 143.5° | 120.3° |
| C11 | C12 | C13 | H5 | 166.8° | 180.0° |
| C12 | C11 | C15 | H7 | 165.2° | 180.0° |
| C15 | C11 | RU | H8 | 121.3° | 121.2° |
| C15 | C11 | C12 | C13 | 1.9° | 0.1° |
| C11 | C15 | C14 | C13 | 0.1° | 0.0° |
| C11 | C15 | RU | C13 | 79.3° | 80.1° |
| C11 | C15 | C14 | RU | 62.9° | 61.8° |
| C11 | C15 | C14 | H7 | 166.6° | 179.9° |
| C11 | C15 | RU | H7 | 121.5° | 121.2° |
| C11 | C15 | RU | C16 | 166.1° | 162.2° |
| C11 | C15 | RU | C17 | 81.7° | 163.9° |
| C11 | C15 | RU | C18 | 59.9° | 46.9° |
| C11 | C15 | RU | C20 | 136.8° | 120.0° |
| C15 | C11 | RU | C19 | 98.3° | 122.0° |
| C15 | C11 | C12 | H4 | 166.5° | 180.0° |
| C11 | C15 | C14 | H6 | 166.4° | 179.9° |
| C11 | RU | C14 | C13 | 79.0° | 80.1° |
| C11 | RU | C13 | C16 | 178.3° | 162.3° |
| C11 | RU | C13 | C17 | 135.6° | 158.0° |
| C11 | RU | C13 | C18 | 87.8° | 117.9° |
| C11 | RU | C13 | C20 | 132.7° | 129.7° |
| C11 | RU | C13 | C19 | 10.8° | 85.0° |
| C11 | RU | C14 | C16 | 172.1° | 159.9° |
| C11 | RU | C14 | C17 | 147.7° | 159.8° |
| C11 | RU | C14 | C18 | 24.0° | 127.1° |
| C11 | RU | C14 | C20 | 130.2° | 117.7° |
| C11 | RU | C14 | C19 | 88.2° | 84.0° |
| C11 | RU | C17 | C16 | 166.4° | 162.8° |
| C11 | RU | C20 | C16 | 173.9° | 164.1° |
| C11 | RU | C16 | C18 | 51.7° | 123.2° |
| C11 | RU | C16 | C19 | 8.1° | 81.0° |
| C11 | RU | C18 | C17 | 150.6° | 161.9° |
| C11 | RU | C17 | C20 | 130.8° | 124.2° |
| C11 | RU | C17 | C19 | 87.8° | 82.6° |
| C11 | RU | C18 | C24 | 30.0° | 42.7° |
| C11 | RU | C18 | C20 | 132.5° | 116.9° |
| C11 | RU | C18 | C19 | 95.2° | 79.5° |
| C11 | RU | C20 | C19 | 56.8° | 79.0° |
| C11 | RU | C13 | H5 | 159.5° | 158.6° |
| C11 | RU | C14 | H6 | 159.2° | 158.7° |
| C11 | RU | C16 | H9 | 151.1° | 77.6° |
| C11 | RU | C17 | H10 | 72.1° | 76.1° |
| C11 | RU | C19 | H13 | 20.8° | 0.5° |
| C11 | RU | C20 | H14 | 63.4° | 42.3° |
| C13 | C12 | RU | H4 | 122.3° | 121.2° |
| C12 | C13 | C14 | RU | 61.5° | 61.7° |
| C12 | C13 | C14 | H5 | 165.1° | 179.9° |
| C12 | C13 | RU | H5 | 121.2° | 121.1° |
| C12 | C13 | C14 | C15 | 1.1° | 0.0° |
| C12 | C13 | RU | C15 | 80.0° | 80.2° |
| C12 | C13 | RU | C16 | 143.3° | 160.2° |
| C12 | C13 | RU | C17 | 97.3° | 120.5° |
| C12 | C13 | RU | C18 | 49.5° | 80.3° |
| C12 | C13 | RU | C20 | 171.1° | 167.3° |
| C13 | C12 | RU | C19 | 170.0° | 161.4° |
| C12 | C13 | C14 | H6 | 165.4° | 180.0° |
| C13 | C12 | C11 | H8 | 167.2° | 180.0° |
| C12 | RU | C15 | C14 | 80.7° | 80.1° |
| C12 | RU | C14 | C16 | 145.7° | 157.5° |
| C12 | RU | C14 | C17 | 105.5° | 117.1° |
| C12 | RU | C14 | C18 | 66.1° | 84.5° |
| C12 | RU | C14 | C20 | 172.4° | 160.3° |
| C12 | RU | C14 | C19 | 130.3° | 126.6° |
| C12 | RU | C15 | C16 | 156.8° | 160.3° |
| C12 | RU | C15 | C17 | 118.8° | 126.5° |
| C12 | RU | C15 | C18 | 97.0° | 84.3° |
| C12 | RU | C15 | C20 | 173.8° | 157.5° |
| C12 | RU | C15 | C19 | 132.8° | 117.1° |
| C12 | RU | C17 | C16 | 151.3° | 163.1° |
| C12 | RU | C20 | C16 | 156.8° | 159.1° |
| C12 | RU | C16 | C18 | 92.7° | 79.9° |
| C12 | RU | C16 | C19 | 136.3° | 122.1° |
| C12 | RU | C18 | C17 | 110.4° | 120.7° |
| C12 | RU | C17 | C20 | 173.2° | 158.4° |
| C12 | RU | C17 | C19 | 130.1° | 116.7° |
| C12 | RU | C18 | C24 | 10.2° | 1.5° |
| C12 | RU | C18 | C20 | 172.7° | 158.1° |
| C12 | RU | C18 | C19 | 135.4° | 120.6° |
| C12 | RU | C20 | C19 | 39.7° | 42.2° |
| C12 | RU | C14 | H6 | 158.7° | 158.7° |
| C12 | RU | C15 | H7 | 158.5° | 158.7° |
| C12 | RU | C16 | H9 | 64.6° | 79.3° |
| C12 | RU | C17 | H10 | 29.8° | 41.9° |
| C12 | RU | C19 | H13 | 52.2° | 41.8° |
| C12 | RU | C20 | H14 | 80.6° | 79.2° |
| C14 | C13 | RU | H5 | 120.8° | 121.2° |
| C13 | C14 | C15 | RU | 62.8° | 61.8° |
| C13 | C14 | C15 | H6 | 166.3° | 179.9° |
| C13 | C14 | RU | H6 | 121.9° | 121.2° |
| C13 | C14 | RU | C16 | 108.9° | 120.1° |
| C13 | C14 | RU | C17 | 68.7° | 79.7° |
| C13 | C14 | RU | C18 | 102.9° | 47.0° |
| C13 | C14 | RU | C20 | 150.8° | 162.2° |
| C14 | C13 | RU | C19 | 68.8° | 165.2° |
| C14 | C13 | C12 | H4 | 166.6° | 180.0° |
| C13 | C14 | C15 | H7 | 166.5° | 179.9° |
| C13 | RU | C15 | C16 | 114.6° | 117.7° |
| C13 | RU | C15 | C17 | 161.0° | 83.9° |
| C13 | RU | C15 | C18 | 139.2° | 126.9° |
| C13 | RU | C15 | C20 | 143.9° | 159.9° |
| C13 | RU | C15 | C19 | 175.1° | 159.7° |
| C13 | RU | C17 | C16 | 107.0° | 121.8° |
| C13 | RU | C20 | C16 | 75.5° | 43.7° |
| C13 | RU | C16 | C18 | 138.6° | 116.6° |
| C13 | RU | C16 | C19 | 177.8° | 158.8° |
| C13 | RU | C18 | C17 | 80.3° | 79.5° |
| C13 | RU | C17 | C20 | 142.6° | 160.3° |
| C13 | RU | C17 | C19 | 174.4° | 158.0° |
| C13 | RU | C18 | C24 | 40.3° | 39.6° |
| C13 | RU | C18 | C20 | 157.2° | 160.8° |
| C13 | RU | C18 | C19 | 165.5° | 161.8° |
| C13 | RU | C20 | C19 | 167.4° | 160.7° |
| C13 | RU | C15 | H7 | 159.3° | 158.7° |
| C13 | RU | C11 | H8 | 158.8° | 158.7° |
| C13 | RU | C16 | H9 | 18.6° | 42.6° |
| C13 | RU | C17 | H10 | 14.5° | 0.6° |
| C13 | RU | C19 | H13 | 10.7° | 76.1° |
| C13 | RU | C20 | H14 | 47.2° | 78.0° |
| C15 | C14 | RU | H6 | 122.4° | 121.2° |
| C14 | C15 | RU | H7 | 120.8° | 121.2° |
| C14 | C15 | RU | C16 | 76.2° | 80.2° |
| C14 | C15 | RU | C17 | 160.6° | 46.4° |
| C14 | C15 | RU | C18 | 177.6° | 164.4° |
| C14 | C15 | RU | C20 | 105.5° | 122.4° |
| C15 | C14 | RU | C19 | 51.5° | 46.4° |
| C15 | C14 | C13 | H5 | 166.2° | 179.9° |
| C14 | C15 | C11 | H8 | 166.4° | 179.9° |
| C14 | RU | C17 | C16 | 63.5° | 80.7° |
| C14 | RU | C20 | C16 | 108.9° | 80.5° |
| C14 | RU | C16 | C18 | 175.5° | 158.5° |
| C14 | RU | C16 | C19 | 131.9° | 159.3° |
| C14 | RU | C18 | C17 | 173.1° | 45.3° |
| C14 | RU | C17 | C20 | 99.0° | 119.3° |
| C14 | RU | C17 | C19 | 142.1° | 160.9° |
| C14 | RU | C18 | C24 | 52.6° | 73.9° |
| C14 | RU | C18 | C20 | 110.0° | 126.5° |
| C14 | RU | C18 | C19 | 72.7° | 164.0° |
| C14 | RU | C20 | C19 | 134.1° | 162.6° |
| C14 | RU | C12 | H4 | 159.4° | 158.7° |
| C14 | RU | C11 | H8 | 158.5° | 158.7° |
| C14 | RU | C16 | H9 | 27.2° | 0.7° |
| C14 | RU | C17 | H10 | 58.0° | 40.5° |
| C14 | RU | C19 | H13 | 48.2° | 74.8° |
| C14 | RU | C20 | H14 | 13.8° | 41.2° |
| C15 | RU | C17 | C16 | 93.3° | 46.7° |
| C15 | RU | C20 | C16 | 149.9° | 122.1° |
| C15 | RU | C16 | C18 | 131.3° | 159.9° |
| C15 | RU | C16 | C19 | 87.7° | 117.7° |
| C15 | RU | C18 | C17 | 175.9° | 163.9° |
| C15 | RU | C17 | C20 | 57.8° | 85.2° |
| C15 | RU | C17 | C19 | 14.8° | 126.9° |
| C15 | RU | C18 | C24 | 63.5° | 76.9° |
| C15 | RU | C18 | C20 | 99.0° | 82.7° |
| C15 | RU | C18 | C19 | 61.7° | 45.3° |
| C15 | RU | C20 | C19 | 93.0° | 120.9° |
| C15 | RU | C12 | H4 | 158.7° | 158.7° |
| C15 | RU | C13 | H5 | 158.8° | 158.8° |
| C15 | RU | C16 | H9 | 71.5° | 40.9° |
| C15 | RU | C17 | H10 | 145.1° | 74.5° |
| C15 | RU | C19 | H13 | 18.1° | 40.7° |
| C15 | RU | C20 | H14 | 27.2° | 0.4° |
| C17 | C16 | C20 | RU | 59.6° | 63.1° |
| C17 | C16 | C20 | H9 | 161.9° | 180.0° |
| C17 | C16 | RU | H9 | 119.7° | 121.4° |
| C16 | C17 | C18 | RU | 63.7° | 61.8° |
| C16 | C17 | C18 | H10 | 167.0° | 179.9° |
| C16 | C17 | RU | H10 | 121.5° | 121.2° |
| C16 | C17 | C18 | C24 | 176.1° | 138.3° |
| C16 | C17 | C18 | C19 | 0.5° | 2.4° |
| C17 | C16 | C20 | C19 | 1.7° | 0.0° |
| C17 | C16 | RU | C19 | 81.1° | 80.0° |
| C17 | C16 | C20 | H14 | 163.9° | 180.0° |
| C20 | C16 | RU | H9 | 120.8° | 121.6° |
| C20 | C16 | C17 | C18 | 1.4° | 1.5° |
| C16 | C20 | RU | C18 | 79.2° | 79.2° |
| C16 | C20 | C19 | C18 | 1.4° | 1.4° |
| C16 | C20 | RU | C19 | 117.1° | 116.9° |
| C16 | C20 | RU | H14 | 122.7° | 121.8° |
| C16 | C20 | C19 | H14 | 165.9° | 180.0° |
| C20 | C16 | C17 | H10 | 165.5° | 178.6° |
| C16 | C20 | C19 | H13 | 168.4° | 178.5° |
| C16 | RU | C18 | C24 | 157.0° | 156.5° |
| C16 | RU | C18 | C19 | 77.8° | 81.3° |
| C16 | RU | C12 | H4 | 49.7° | 70.4° |
| C16 | RU | C13 | H5 | 22.2° | 39.1° |
| C16 | RU | C14 | H6 | 13.0° | 1.1° |
| C16 | RU | C15 | H7 | 44.7° | 41.0° |
| C16 | RU | C11 | H8 | 30.6° | 71.7° |
| C16 | RU | C19 | H13 | 158.0° | 159.8° |
| C18 | C17 | RU | H10 | 120.2° | 122.0° |
| C17 | C18 | C24 | RU | 86.5° | 111.8° |
| C17 | C18 | C24 | C19 | 174.5° | 133.3° |
| C17 | C18 | RU | C19 | 114.2° | 118.7° |
| C17 | C18 | RU | C20 | 76.9° | 81.3° |
| C17 | C18 | C19 | C20 | 0.6° | 2.4° |
| C17 | C18 | C24 | C25 | 6.3° | 109.3° |
| C17 | C18 | C24 | O28 | 177.0° | 68.9° |
| C18 | C17 | C16 | H9 | 163.4° | 178.6° |
| C17 | C18 | C19 | H13 | 167.5° | 177.6° |
| C17 | RU | C20 | C19 | 80.7° | 80.0° |
| C17 | RU | C12 | H4 | 14.4° | 40.4° |
| C17 | RU | C13 | H5 | 23.9° | 0.6° |
| C17 | RU | C14 | H6 | 53.1° | 41.5° |
| C17 | RU | C15 | H7 | 39.7° | 74.8° |
| C17 | RU | C11 | H8 | 47.8° | 73.9° |
| C17 | RU | C19 | H13 | 160.1° | 158.6° |
| C17 | RU | C20 | H14 | 159.0° | 158.7° |
| C24 | C18 | RU | C19 | 125.2° | 122.2° |
| C24 | C18 | RU | C20 | 162.5° | 159.6° |
| C24 | C18 | C19 | C20 | 174.8° | 137.8° |
| C18 | C24 | C25 | C26 | 169.0° | 159.7° |
| C18 | C24 | C25 | O28 | 176.6° | 178.2° |
| C18 | C24 | C25 | H24 | 48.8° | 38.9° |
| C18 | C24 | C25 | H25 | 70.7° | 76.2° |
| C24 | C18 | C17 | H10 | 9.1° | 41.8° |
| C24 | C18 | C19 | H13 | 7.9° | 42.1° |
| C18 | RU | C20 | C19 | 37.8° | 37.8° |
| RU | C18 | C24 | C25 | 80.2° | 2.5° |
| RU | C18 | C24 | O28 | 96.5° | 179.3° |
| C18 | RU | C12 | H4 | 28.2° | 0.1° |
| C18 | RU | C13 | H5 | 71.7° | 40.8° |
| C18 | RU | C14 | H6 | 135.2° | 74.2° |
| C18 | RU | C15 | H7 | 61.5° | 74.4° |
| C18 | RU | C11 | H8 | 18.2° | 41.0° |
| C18 | RU | C16 | H9 | 157.2° | 159.2° |
| C18 | RU | C19 | H13 | 120.9° | 121.9° |
| C18 | RU | C20 | H14 | 158.1° | 159.1° |
| C18 | C19 | C20 | H13 | 166.9° | 180.0° |
| C19 | C18 | C24 | C25 | 168.2° | 117.4° |
| C19 | C18 | C24 | O28 | 8.5° | 64.4° |
| C19 | C18 | C17 | H10 | 166.6° | 177.7° |
| C18 | C19 | C20 | H14 | 164.5° | 178.5° |
| RU | C20 | C19 | H14 | 102.6° | 117.8° |
| C20 | RU | C12 | H4 | 102.6° | 70.2° |
| C20 | RU | C13 | H5 | 67.7° | 71.6° |
| C20 | RU | C14 | H6 | 29.0° | 41.0° |
| C20 | RU | C15 | H7 | 15.3° | 1.2° |
| C20 | RU | C11 | H8 | 56.2° | 38.9° |
| C20 | RU | C17 | H10 | 157.0° | 159.7° |
| C20 | RU | C19 | H13 | 121.5° | 121.3° |
| C19 | C20 | C16 | H9 | 163.6° | 180.0° |
| C34 | C31 | C32 | N30 | 157.8° | 128.4° |
| C34 | C31 | C32 | H11 | 100.0° | 116.5° |
| C34 | C31 | N30 | H11 | 102.0° | 119.5° |
| C31 | C34 | S49 | N33 | 112.5° | 125.5° |
| C31 | C34 | S49 | H12 | 126.2° | 114.5° |
| C31 | C34 | N33 | H12 | 119.1° | 118.6° |
| C34 | C31 | C32 | O67 | 103.7° | 82.8° |
| C31 | C34 | N33 | C51 | 176.0° | 140.3° |
| C34 | C31 | N30 | C27 | 75.2° | 164.2° |
| C31 | C34 | N33 | H20 | 54.0° | 41.7° |
| C34 | C31 | N30 | H21 | 104.8° | 16.7° |
| C34 | C31 | C32 | O1 | 56.5° | 97.1° |
| C32 | C31 | N30 | H11 | 102.2° | 113.8° |
| C32 | C31 | C34 | S49 | 174.6° | 165.0° |
| C32 | C31 | C34 | N33 | 69.1° | 69.9° |
| C31 | C32 | O67 | O1 | 160.3° | 179.9° |
| C32 | C31 | N30 | C27 | 129.0° | 69.0° |
| C32 | C31 | C34 | H12 | 50.4° | 49.9° |
| C32 | C31 | N30 | H21 | 51.1° | 110.1° |
| C31 | C32 | O1 | H3 | 156.9° | 137.5° |
| N30 | C31 | C34 | S49 | 27.6° | 67.9° |
| N30 | C31 | C34 | N33 | 88.7° | 57.2° |
| N30 | C31 | C32 | O67 | 54.1° | 45.7° |
| C31 | N30 | C27 | H21 | 180.0° | 179.1° |
| C31 | N30 | C27 | O29 | 3.9° | 5.1° |
| C31 | N30 | C27 | C26 | 175.7° | 173.4° |
| N30 | C31 | C34 | H12 | 151.7° | 177.0° |
| N30 | C31 | C32 | O1 | 145.7° | 134.5° |
| S49 | C34 | N33 | H12 | 118.2° | 119.3° |
| S49 | C34 | N33 | C51 | 53.3° | 18.2° |
| C34 | S49 | C1 | H1 | 82.9° | 177.1° |
| C34 | S49 | C1 | H2 | 158.2° | 67.0° |
| S49 | C34 | C31 | H11 | 74.5° | 50.7° |
| S49 | C34 | N33 | H20 | 68.8° | 163.8° |
| C34 | N33 | C51 | C50 | 20.7° | 4.1° |
| C34 | N33 | C51 | C63 | 153.7° | 177.3° |
| C34 | N33 | C51 | H20 | 122.0° | 178.0° |
| N33 | C34 | C31 | H11 | 169.2° | 175.8° |
| O67 | C32 | C31 | H11 | 156.3° | 160.7° |
| O67 | C32 | O1 | H3 | 0.0° | 42.6° |
| C52 | C50 | C51 | C63 | 2.2° | 7.6° |
| C52 | C50 | C51 | N33 | 171.7° | 174.1° |
| C52 | C50 | C1 | H1 | 67.1° | 17.7° |
| C52 | C50 | C1 | H2 | 51.9° | 98.9° |
| C50 | C52 | H16 | H17 | 120.0° | 120.7° |
| C50 | C52 | H16 | H18 | 120.0° | 120.5° |
| C50 | C52 | H17 | H18 | 120.0° | 121.3° |
| C50 | C51 | C63 | N33 | 174.4° | 178.5° |
| C50 | C51 | C63 | O65 | 68.8° | 9.5° |
| C50 | C51 | C63 | O64 | 108.7° | 169.7° |
| C51 | C50 | C1 | H1 | 108.8° | 164.7° |
| C51 | C50 | C1 | H2 | 132.2° | 78.8° |
| C51 | C50 | C52 | H16 | 4.0° | 34.5° |
| C51 | C50 | C52 | H17 | 116.0° | 152.9° |
| C51 | C50 | C52 | H18 | 124.0° | 85.9° |
| C50 | C51 | N33 | H20 | 101.3° | 173.9° |
| C51 | C63 | O65 | O64 | 177.3° | 179.1° |
| C51 | C63 | O64 | H19 | 177.4° | 117.0° |
| C63 | C51 | N33 | H20 | 84.3° | 4.8° |
| N33 | C51 | C63 | O65 | 116.9° | 169.0° |
| N33 | C51 | C63 | O64 | 65.6° | 11.8° |
| C51 | N33 | C34 | H12 | 64.9° | 101.1° |
| O65 | C63 | O64 | H19 | 0.0° | 62.2° |
| N30 | C27 | O29 | C26 | 179.5° | 178.5° |
| N30 | C27 | C26 | C25 | 170.0° | 110.1° |
| C27 | N30 | C31 | H11 | 26.8° | 44.8° |
| N30 | C27 | C26 | H22 | 49.8° | 12.3° |
| N30 | C27 | C26 | H23 | 69.7° | 129.2° |
| O29 | C27 | C26 | C25 | 10.4° | 68.4° |
| O29 | C27 | N30 | H21 | 176.2° | 174.0° |
| O29 | C27 | C26 | H22 | 130.7° | 169.2° |
| O29 | C27 | C26 | H23 | 109.8° | 52.2° |
| C27 | C26 | C25 | H22 | 120.2° | 122.6° |
| C27 | C26 | C25 | H23 | 120.3° | 120.7° |
| C27 | C26 | C25 | C24 | 166.8° | 119.9° |
| C26 | C27 | N30 | H21 | 4.3° | 7.5° |
| C27 | C26 | H22 | H23 | 119.2° | 117.6° |
| C27 | C26 | C25 | H24 | 46.5° | 118.0° |
| C27 | C26 | C25 | H25 | 73.0° | 3.9° |
| C26 | C25 | C24 | H24 | 120.3° | 120.8° |
| C26 | C25 | C24 | H25 | 120.2° | 124.1° |
| C26 | C25 | C24 | O28 | 14.4° | 22.1° |
| C25 | C26 | H22 | H23 | 119.3° | 117.4° |
| C26 | C25 | H24 | H25 | 119.2° | 115.0° |
| C24 | C25 | C26 | H22 | 73.0° | 2.7° |
| C24 | C25 | C26 | H23 | 46.5° | 119.4° |
| C24 | C25 | H24 | H25 | 119.2° | 115.8° |
| O28 | C24 | C25 | H24 | 134.7° | 142.9° |
| O28 | C24 | C25 | H25 | 105.8° | 101.9° |
| C19 | RU | C12 | H4 | 67.7° | 40.2° |
| C19 | RU | C13 | H5 | 170.4° | 73.6° |
| C19 | RU | C14 | H6 | 71.0° | 74.7° |
| C19 | RU | C15 | H7 | 25.7° | 41.6° |
| C19 | RU | C11 | H8 | 23.0° | 0.8° |
| C19 | RU | C16 | H9 | 159.2° | 158.6° |
| C19 | RU | C17 | H10 | 159.9° | 158.6° |
| H11 | C31 | C34 | H12 | 49.6° | 64.4° |
| H11 | C31 | N30 | H21 | 153.2° | 136.1° |
| H11 | C31 | C32 | O1 | 43.5° | 19.4° |
| H12 | C34 | N33 | H20 | 173.1° | 76.9° |
| H16 | C52 | H17 | H18 | 120.0° | 118.8° |
| H22 | C26 | C25 | H24 | 166.8° | 119.4° |
| H22 | C26 | C25 | H25 | 47.3° | 126.5° |
| H23 | C26 | C25 | H24 | 73.7° | 2.7° |
| H23 | C26 | C25 | H25 | 166.8° | 116.7° |
| H4 | C12 | C13 | H5 | 1.6° | 0.2° |
| H4 | C12 | C11 | H8 | 1.3° | 0.2° |
| H5 | C13 | C14 | H6 | 0.3° | 0.1° |
| H6 | C14 | C15 | H7 | 0.2° | 0.0° |
| H7 | C15 | C11 | H8 | 0.1° | 0.1° |
| H9 | C16 | C17 | H10 | 3.5° | 1.3° |
| H9 | C16 | C20 | H14 | 2.1° | 0.0° |
| H13 | C19 | C20 | H14 | 2.4° | 1.5° |






