Y8K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | S2 | sing | 1.66Å | 1.63Å | |
| S2 | O3 | doub | 1.42Å | 1.47Å | |
| S2 | O4 | doub | 1.42Å | 1.42Å | |
| S2 | C5 | sing | 1.76Å | 1.71Å | |
| C5 | C6 | doub | 1.38Å | 1.44Å | Aromatic |
| C5 | C10 | sing | 1.38Å | 1.45Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.41Å | Aromatic |
| C7 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.43Å | Aromatic |
| C8 | C11 | sing | 1.48Å | 1.50Å | |
| C9 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C11 | O12 | doub | 1.22Å | 1.24Å | |
| C11 | N13 | sing | 1.35Å | 1.36Å | |
| N13 | C14 | sing | 1.49Å | 1.51Å | |
| N13 | C35 | sing | 1.50Å | 1.50Å | |
| C14 | C15 | sing | 1.49Å | 1.51Å | |
| C15 | C16 | sing | 1.49Å | 1.52Å | |
| C15 | C34 | sing | 1.58Å | 1.59Å | |
| C15 | C37 | sing | 1.53Å | 1.57Å | |
| C16 | N17 | sing | 1.49Å | 1.50Å | |
| N17 | C18 | sing | 1.35Å | 1.38Å | |
| N17 | C33 | sing | 1.50Å | 1.51Å | |
| C18 | O19 | sing | 1.35Å | 1.42Å | |
| C18 | O32 | doub | 1.22Å | 1.24Å | |
| O19 | C20 | sing | 1.45Å | 1.43Å | |
| C20 | C21 | sing | 1.51Å | 1.53Å | |
| C21 | C22 | doub | 1.38Å | 1.42Å | Aromatic |
| C21 | C31 | sing | 1.38Å | 1.42Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | doub | 1.39Å | 1.41Å | Aromatic |
| C24 | O25 | sing | 1.36Å | 1.39Å | |
| C24 | C30 | sing | 1.39Å | 1.41Å | Aromatic |
| O25 | C26 | sing | 1.43Å | 1.38Å | |
| C26 | F27 | sing | 1.40Å | 1.36Å | |
| C26 | F28 | sing | 1.40Å | 1.31Å | |
| C26 | F29 | sing | 1.40Å | 1.32Å | |
| C30 | C31 | doub | 1.38Å | 1.41Å | Aromatic |
| C33 | C34 | sing | 1.51Å | 1.49Å | |
| C34 | C35 | sing | 1.51Å | 1.53Å | |
| C10 | H43 | sing | 1.08Å | 1.08Å | |
| C16 | H46 | sing | 1.09Å | 1.10Å | |
| C16 | H47 | sing | 1.09Å | 1.10Å | |
| C20 | H48 | sing | 1.09Å | 1.10Å | |
| C20 | H49 | sing | 1.09Å | 1.10Å | |
| C22 | H50 | sing | 1.08Å | 1.08Å | |
| C23 | H51 | sing | 1.08Å | 1.08Å | |
| N1 | H38 | sing | 0.97Å | 1.00Å | |
| N1 | H39 | sing | 0.97Å | 1.00Å | |
| C6 | H40 | sing | 1.08Å | 1.08Å | |
| C7 | H41 | sing | 1.08Å | 1.08Å | |
| C9 | H42 | sing | 1.08Å | 1.08Å | |
| C14 | H44 | sing | 1.09Å | 1.10Å | |
| C14 | H45 | sing | 1.09Å | 1.10Å | |
| C30 | H52 | sing | 1.08Å | 1.08Å | |
| C31 | H53 | sing | 1.08Å | 1.08Å | |
| C33 | H54 | sing | 1.09Å | 1.10Å | |
| C33 | H55 | sing | 1.09Å | 1.10Å | |
| C34 | H36 | sing | 1.09Å | 1.10Å | |
| C35 | H57 | sing | 1.09Å | 1.10Å | |
| C35 | H56 | sing | 1.09Å | 1.10Å | |
| C37 | H60 | sing | 1.09Å | 1.10Å | |
| C37 | H58 | sing | 1.09Å | 1.10Å | |
| C37 | H59 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | S2 | O3 | 108.3° | 106.4° |
| N1 | S2 | O4 | 107.2° | 106.4° |
| N1 | S2 | C5 | 105.9° | 107.2° |
| S2 | N1 | H38 | 109.5° | 120.0° |
| S2 | N1 | H39 | 109.5° | 120.0° |
| O3 | S2 | O4 | 120.2° | 123.2° |
| O3 | S2 | C5 | 108.9° | 106.4° |
| O4 | S2 | C5 | 105.4° | 106.4° |
| S2 | C5 | C6 | 121.7° | 119.8° |
| S2 | C5 | C10 | 120.4° | 119.8° |
| C6 | C5 | C10 | 117.9° | 120.3° |
| C5 | C6 | C7 | 121.3° | 120.1° |
| C5 | C6 | H40 | 119.3° | 119.9° |
| C5 | C10 | C9 | 120.5° | 120.1° |
| C5 | C10 | H43 | 119.7° | 119.9° |
| C6 | C7 | C8 | 119.5° | 119.8° |
| C7 | C6 | H40 | 119.4° | 119.9° |
| C6 | C7 | H41 | 120.3° | 120.1° |
| C7 | C8 | C9 | 121.9° | 119.7° |
| C7 | C8 | C11 | 121.7° | 120.1° |
| C8 | C7 | H41 | 120.2° | 120.1° |
| C9 | C8 | C11 | 116.3° | 120.2° |
| C8 | C9 | C10 | 118.9° | 119.9° |
| C8 | C9 | H42 | 120.5° | 120.0° |
| C8 | C11 | O12 | 120.3° | 120.0° |
| C8 | C11 | N13 | 122.5° | 120.0° |
| C9 | C10 | H43 | 119.7° | 119.9° |
| C10 | C9 | H42 | 120.6° | 120.1° |
| O12 | C11 | N13 | 117.2° | 120.0° |
| C11 | N13 | C14 | 117.3° | 126.1° |
| C11 | N13 | C35 | 129.0° | 126.2° |
| C14 | N13 | C35 | 113.6° | 107.7° |
| N13 | C14 | C15 | 103.0° | 104.6° |
| N13 | C14 | H44 | 111.0° | 110.4° |
| N13 | C14 | H45 | 111.0° | 110.4° |
| N13 | C35 | C34 | 96.2° | 102.4° |
| N13 | C35 | H57 | 112.7° | 110.8° |
| N13 | C35 | H56 | 112.7° | 110.8° |
| C14 | C15 | C16 | 122.9° | 129.3° |
| C14 | C15 | C34 | 101.5° | 100.7° |
| C14 | C15 | C37 | 105.6° | 107.9° |
| C15 | C14 | H44 | 111.1° | 110.4° |
| C15 | C14 | H45 | 111.1° | 110.4° |
| C16 | C15 | C34 | 98.9° | 100.7° |
| C16 | C15 | C37 | 109.6° | 108.6° |
| C15 | C16 | N17 | 98.6° | 104.6° |
| C15 | C16 | H46 | 112.1° | 110.4° |
| C15 | C16 | H47 | 112.1° | 110.4° |
| C34 | C15 | C37 | 118.9° | 107.5° |
| C15 | C34 | C33 | 101.8° | 97.8° |
| C15 | C34 | C35 | 103.3° | 97.8° |
| C15 | C34 | H36 | 106.5° | 111.8° |
| C15 | C37 | H60 | 109.5° | 109.5° |
| C15 | C37 | H58 | 109.5° | 109.5° |
| C15 | C37 | H59 | 109.5° | 109.5° |
| C16 | N17 | C18 | 121.6° | 126.1° |
| C16 | N17 | C33 | 114.5° | 107.8° |
| N17 | C16 | H46 | 112.1° | 110.4° |
| N17 | C16 | H47 | 112.1° | 110.4° |
| C18 | N17 | C33 | 123.5° | 126.1° |
| N17 | C18 | O19 | 111.1° | 120.0° |
| N17 | C18 | O32 | 122.0° | 120.0° |
| N17 | C33 | C34 | 97.8° | 102.4° |
| N17 | C33 | H54 | 112.3° | 110.8° |
| N17 | C33 | H55 | 112.3° | 110.8° |
| O19 | C18 | O32 | 126.9° | 120.0° |
| C18 | O19 | C20 | 123.7° | 117.0° |
| O19 | C20 | C21 | 107.6° | 109.4° |
| O19 | C20 | H48 | 109.9° | 109.5° |
| O19 | C20 | H49 | 109.9° | 109.5° |
| C20 | C21 | C22 | 118.8° | 120.0° |
| C20 | C21 | C31 | 121.1° | 119.9° |
| C21 | C20 | H48 | 109.9° | 109.5° |
| C21 | C20 | H49 | 110.0° | 109.5° |
| C22 | C21 | C31 | 120.0° | 120.1° |
| C21 | C22 | C23 | 120.9° | 120.0° |
| C21 | C22 | H50 | 119.6° | 119.9° |
| C21 | C31 | C30 | 119.6° | 120.0° |
| C21 | C31 | H53 | 120.2° | 119.9° |
| C22 | C23 | C24 | 118.4° | 120.0° |
| C23 | C22 | H50 | 119.6° | 120.0° |
| C22 | C23 | H51 | 120.8° | 120.0° |
| C23 | C24 | O25 | 112.5° | 120.1° |
| C23 | C24 | C30 | 122.5° | 119.8° |
| C24 | C23 | H51 | 120.8° | 120.0° |
| O25 | C24 | C30 | 124.9° | 120.1° |
| C24 | O25 | C26 | 121.4° | 117.0° |
| C24 | C30 | C31 | 118.6° | 120.0° |
| C24 | C30 | H52 | 120.7° | 120.0° |
| O25 | C26 | F27 | 114.1° | 109.4° |
| O25 | C26 | F28 | 108.9° | 109.5° |
| O25 | C26 | F29 | 109.7° | 109.5° |
| F27 | C26 | F28 | 106.0° | 109.5° |
| F27 | C26 | F29 | 112.2° | 109.5° |
| F28 | C26 | F29 | 105.4° | 109.5° |
| C31 | C30 | H52 | 120.7° | 120.0° |
| C30 | C31 | H53 | 120.2° | 120.1° |
| C33 | C34 | C35 | 128.3° | 124.1° |
| C34 | C33 | H54 | 112.3° | 110.9° |
| C34 | C33 | H55 | 112.3° | 110.8° |
| C33 | C34 | H36 | 107.7° | 111.2° |
| C35 | C34 | H36 | 107.3° | 111.7° |
| C34 | C35 | H57 | 112.7° | 110.9° |
| C34 | C35 | H56 | 112.7° | 110.8° |
| H46 | C16 | H47 | 109.5° | 110.5° |
| H48 | C20 | H49 | 109.5° | 109.5° |
| H38 | N1 | H39 | 109.4° | 120.0° |
| H44 | C14 | H45 | 109.5° | 110.4° |
| H54 | C33 | H55 | 109.5° | 110.9° |
| H57 | C35 | H56 | 109.4° | 110.8° |
| H60 | C37 | H58 | 109.4° | 109.5° |
| H60 | C37 | H59 | 109.5° | 109.5° |
| H58 | C37 | H59 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | S2 | O3 | O4 | 123.6° | 123.0° |
| N1 | S2 | O3 | C5 | 114.8° | 114.1° |
| N1 | S2 | O4 | C5 | 112.5° | 114.1° |
| N1 | S2 | C5 | C6 | 99.6° | 90.0° |
| N1 | S2 | C5 | C10 | 83.0° | 90.0° |
| S2 | N1 | H38 | H39 | 120.0° | 180.0° |
| O3 | S2 | O4 | C5 | 123.4° | 122.9° |
| O3 | S2 | C5 | C6 | 16.7° | 23.5° |
| O3 | S2 | C5 | C10 | 160.7° | 156.5° |
| O3 | S2 | N1 | H38 | 180.0° | 6.5° |
| O3 | S2 | N1 | H39 | 60.0° | 173.5° |
| O4 | S2 | C5 | C6 | 147.0° | 156.4° |
| O4 | S2 | C5 | C10 | 30.5° | 23.5° |
| O4 | S2 | N1 | H38 | 48.9° | 126.5° |
| O4 | S2 | N1 | H39 | 71.1° | 53.6° |
| S2 | C5 | C6 | C10 | 177.5° | 180.0° |
| S2 | C5 | C6 | C7 | 177.0° | 180.0° |
| S2 | C5 | C10 | C9 | 177.1° | 179.7° |
| S2 | C5 | C10 | H43 | 2.9° | 0.1° |
| C5 | S2 | N1 | H38 | 63.3° | 120.0° |
| C5 | S2 | N1 | H39 | 176.7° | 60.0° |
| S2 | C5 | C6 | H40 | 3.0° | 0.1° |
| C5 | C6 | C7 | H40 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.5° | 0.0° |
| C6 | C5 | C10 | C9 | 0.4° | 0.2° |
| C6 | C5 | C10 | H43 | 179.6° | 179.9° |
| C5 | C6 | C7 | H41 | 179.5° | 179.9° |
| C10 | C5 | C6 | C7 | 0.5° | 0.0° |
| C5 | C10 | C9 | C8 | 0.3° | 0.6° |
| C5 | C10 | C9 | H43 | 180.0° | 179.7° |
| C10 | C5 | C6 | H40 | 179.5° | 179.9° |
| C5 | C10 | C9 | H42 | 179.7° | 180.0° |
| C6 | C7 | C8 | H41 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.4° | 0.4° |
| C6 | C7 | C8 | C11 | 177.6° | 180.0° |
| C7 | C8 | C9 | C11 | 178.1° | 179.7° |
| C7 | C8 | C9 | C10 | 0.3° | 0.7° |
| C7 | C8 | C11 | O12 | 113.0° | 25.9° |
| C7 | C8 | C11 | N13 | 67.5° | 154.2° |
| C8 | C7 | C6 | H40 | 179.5° | 179.9° |
| C7 | C8 | C9 | H42 | 179.7° | 180.0° |
| C8 | C9 | C10 | H42 | 180.0° | 179.4° |
| C9 | C8 | C11 | O12 | 65.1° | 153.8° |
| C9 | C8 | C11 | N13 | 114.4° | 26.2° |
| C8 | C9 | C10 | H43 | 179.7° | 179.7° |
| C9 | C8 | C7 | H41 | 179.6° | 179.7° |
| C11 | C8 | C9 | C10 | 177.8° | 179.7° |
| C8 | C11 | O12 | N13 | 179.5° | 180.0° |
| C8 | C11 | N13 | C14 | 178.7° | 177.3° |
| C8 | C11 | N13 | C35 | 1.5° | 2.7° |
| C11 | C8 | C7 | H41 | 2.4° | 0.1° |
| C11 | C8 | C9 | H42 | 2.2° | 0.3° |
| O12 | C11 | N13 | C14 | 0.8° | 2.7° |
| O12 | C11 | N13 | C35 | 178.0° | 177.3° |
| C11 | N13 | C14 | C35 | 177.6° | 180.0° |
| C11 | N13 | C14 | C15 | 173.2° | 173.3° |
| C11 | N13 | C35 | C34 | 146.1° | 154.1° |
| C11 | N13 | C14 | H44 | 54.2° | 54.4° |
| C11 | N13 | C14 | H45 | 67.8° | 68.0° |
| C11 | N13 | C35 | H57 | 96.2° | 87.6° |
| C11 | N13 | C35 | H56 | 28.3° | 35.9° |
| N13 | C14 | C15 | H44 | 118.9° | 118.8° |
| N13 | C14 | C15 | H45 | 118.9° | 118.8° |
| N13 | C14 | C15 | C16 | 132.4° | 148.4° |
| N13 | C14 | C15 | C34 | 23.7° | 35.0° |
| N13 | C14 | C15 | C37 | 101.0° | 77.5° |
| C14 | N13 | C35 | C34 | 31.2° | 25.8° |
| N13 | C14 | H44 | H45 | 123.0° | 122.4° |
| C14 | N13 | C35 | H57 | 86.6° | 92.4° |
| C14 | N13 | C35 | H56 | 149.0° | 144.1° |
| C35 | N13 | C14 | C15 | 4.4° | 6.8° |
| N13 | C35 | C34 | C15 | 44.4° | 45.6° |
| N13 | C35 | C34 | C33 | 161.4° | 150.6° |
| N13 | C35 | C34 | H57 | 117.8° | 118.2° |
| N13 | C35 | C34 | H56 | 117.8° | 118.2° |
| C35 | N13 | C14 | H44 | 123.4° | 125.6° |
| C35 | N13 | C14 | H45 | 114.6° | 112.0° |
| N13 | C35 | C34 | H36 | 68.0° | 71.6° |
| N13 | C35 | H57 | H56 | 126.2° | 123.5° |
| C14 | C15 | C16 | C34 | 110.0° | 113.4° |
| C14 | C15 | C16 | C37 | 124.8° | 133.9° |
| C14 | C15 | C34 | C37 | 115.3° | 112.8° |
| C14 | C15 | C16 | N17 | 151.0° | 148.4° |
| C14 | C15 | C34 | C33 | 179.1° | 176.2° |
| C14 | C15 | C34 | C35 | 44.7° | 50.0° |
| C14 | C15 | C16 | H46 | 32.8° | 29.6° |
| C14 | C15 | C16 | H47 | 90.8° | 92.9° |
| C15 | C14 | H44 | H45 | 123.1° | 122.4° |
| C14 | C15 | C34 | H36 | 68.2° | 67.1° |
| C14 | C15 | C37 | H60 | 180.0° | 77.3° |
| C14 | C15 | C37 | H58 | 60.0° | 42.8° |
| C14 | C15 | C37 | H59 | 60.0° | 162.7° |
| C16 | C15 | C34 | C37 | 118.4° | 113.5° |
| C15 | C16 | N17 | H46 | 118.2° | 118.8° |
| C15 | C16 | N17 | H47 | 118.2° | 118.7° |
| C15 | C16 | N17 | C18 | 169.9° | 173.2° |
| C15 | C16 | N17 | C33 | 17.7° | 6.8° |
| C16 | C15 | C34 | C33 | 54.5° | 50.1° |
| C16 | C15 | C34 | C35 | 171.0° | 176.3° |
| C15 | C16 | H46 | H47 | 125.1° | 122.4° |
| C16 | C15 | C14 | H44 | 13.5° | 92.8° |
| C16 | C15 | C14 | H45 | 108.7° | 29.6° |
| C16 | C15 | C34 | H36 | 58.2° | 66.6° |
| C16 | C15 | C37 | H60 | 45.7° | 66.8° |
| C16 | C15 | C37 | H58 | 74.3° | 173.1° |
| C16 | C15 | C37 | H59 | 165.7° | 53.2° |
| C34 | C15 | C16 | N17 | 41.0° | 35.0° |
| C15 | C34 | C33 | N17 | 40.9° | 45.6° |
| C15 | C34 | C33 | C35 | 117.7° | 105.0° |
| C15 | C34 | C33 | H36 | 111.8° | 117.1° |
| C15 | C34 | C35 | H36 | 112.3° | 117.3° |
| C34 | C15 | C16 | H46 | 77.2° | 83.7° |
| C34 | C15 | C16 | H47 | 159.2° | 153.8° |
| C34 | C15 | C14 | H44 | 95.2° | 153.8° |
| C34 | C15 | C14 | H45 | 142.7° | 83.8° |
| C15 | C34 | C33 | H54 | 159.0° | 163.8° |
| C15 | C34 | C33 | H55 | 77.1° | 72.6° |
| C15 | C34 | C35 | H57 | 73.4° | 72.6° |
| C15 | C34 | C35 | H56 | 162.1° | 163.8° |
| C34 | C15 | C37 | H60 | 67.0° | 174.9° |
| C34 | C15 | C37 | H58 | 173.0° | 65.0° |
| C34 | C15 | C37 | H59 | 53.1° | 54.9° |
| C37 | C15 | C16 | N17 | 84.2° | 77.7° |
| C37 | C15 | C34 | C33 | 63.9° | 63.5° |
| C37 | C15 | C34 | C35 | 70.6° | 62.8° |
| C37 | C15 | C16 | H46 | 157.6° | 163.5° |
| C37 | C15 | C16 | H47 | 34.0° | 41.0° |
| C37 | C15 | C14 | H44 | 140.1° | 41.3° |
| C37 | C15 | C14 | H45 | 17.9° | 163.7° |
| C37 | C15 | C34 | H36 | 176.5° | 179.9° |
| C15 | C37 | H60 | H58 | 120.0° | 120.0° |
| C15 | C37 | H60 | H59 | 120.0° | 120.0° |
| C15 | C37 | H58 | H59 | 120.0° | 120.0° |
| C16 | N17 | C18 | C33 | 171.7° | 180.0° |
| C16 | N17 | C18 | O19 | 178.9° | 180.0° |
| C16 | N17 | C18 | O32 | 2.3° | 0.0° |
| C16 | N17 | C33 | C34 | 15.6° | 25.8° |
| N17 | C16 | H46 | H47 | 125.1° | 122.4° |
| C16 | N17 | C33 | H54 | 133.6° | 144.0° |
| C16 | N17 | C33 | H55 | 102.5° | 92.4° |
| N17 | C18 | O19 | O32 | 178.7° | 180.0° |
| N17 | C18 | O19 | C20 | 178.7° | 180.0° |
| C18 | N17 | C33 | C34 | 156.6° | 154.2° |
| C18 | N17 | C16 | H46 | 71.9° | 68.0° |
| C18 | N17 | C16 | H47 | 51.7° | 54.5° |
| C18 | N17 | C33 | H54 | 38.6° | 35.9° |
| C18 | N17 | C33 | H55 | 85.3° | 87.6° |
| C33 | N17 | C18 | O19 | 9.4° | 0.0° |
| C33 | N17 | C18 | O32 | 169.4° | 180.0° |
| N17 | C33 | C34 | H54 | 118.1° | 118.2° |
| N17 | C33 | C34 | H55 | 118.1° | 118.2° |
| N17 | C33 | C34 | C35 | 158.7° | 150.6° |
| C33 | N17 | C16 | H46 | 100.5° | 112.0° |
| C33 | N17 | C16 | H47 | 135.9° | 125.5° |
| N17 | C33 | H54 | H55 | 125.5° | 123.5° |
| N17 | C33 | C34 | H36 | 70.9° | 71.5° |
| C18 | O19 | C20 | C21 | 178.7° | 180.0° |
| C18 | O19 | C20 | H48 | 61.6° | 60.0° |
| C18 | O19 | C20 | H49 | 59.0° | 60.0° |
| O32 | C18 | O19 | C20 | 2.6° | 0.0° |
| O19 | C20 | C21 | H48 | 119.7° | 120.0° |
| O19 | C20 | C21 | H49 | 119.7° | 120.0° |
| O19 | C20 | C21 | C22 | 117.2° | 90.0° |
| O19 | C20 | C21 | C31 | 65.3° | 90.3° |
| O19 | C20 | H48 | H49 | 120.9° | 120.0° |
| C20 | C21 | C22 | C31 | 177.5° | 179.6° |
| C20 | C21 | C22 | C23 | 176.8° | 180.0° |
| C20 | C21 | C31 | C30 | 176.4° | 179.8° |
| C21 | C20 | H48 | H49 | 120.9° | 120.0° |
| C20 | C21 | C22 | H50 | 3.2° | 0.1° |
| C20 | C21 | C31 | H53 | 3.6° | 0.0° |
| C21 | C22 | C23 | H50 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.1° | 0.1° |
| C22 | C21 | C31 | C30 | 1.1° | 0.6° |
| C22 | C21 | C20 | H48 | 2.5° | 150.0° |
| C22 | C21 | C20 | H49 | 123.1° | 29.9° |
| C21 | C22 | C23 | H51 | 179.9° | 180.0° |
| C22 | C21 | C31 | H53 | 178.9° | 179.7° |
| C31 | C21 | C22 | C23 | 0.7° | 0.4° |
| C21 | C31 | C30 | C24 | 0.6° | 0.5° |
| C21 | C31 | C30 | H53 | 180.0° | 179.7° |
| C31 | C21 | C20 | H48 | 175.0° | 29.7° |
| C31 | C21 | C20 | H49 | 54.4° | 149.7° |
| C31 | C21 | C22 | H50 | 179.2° | 179.7° |
| C21 | C31 | C30 | H52 | 179.4° | 179.7° |
| C22 | C23 | C24 | H51 | 180.0° | 179.9° |
| C22 | C23 | C24 | O25 | 179.6° | 180.0° |
| C22 | C23 | C24 | C30 | 0.6° | 0.0° |
| C23 | C24 | O25 | C30 | 179.8° | 180.0° |
| C23 | C24 | O25 | C26 | 84.6° | 180.0° |
| C23 | C24 | C30 | C31 | 0.3° | 0.2° |
| C24 | C23 | C22 | H50 | 179.9° | 180.0° |
| C23 | C24 | C30 | H52 | 179.7° | 179.9° |
| C24 | O25 | C26 | F27 | 65.6° | 60.1° |
| C24 | O25 | C26 | F28 | 176.3° | 180.0° |
| C24 | O25 | C26 | F29 | 61.4° | 60.0° |
| O25 | C24 | C30 | C31 | 179.9° | 179.8° |
| O25 | C24 | C23 | H51 | 0.5° | 0.0° |
| O25 | C24 | C30 | H52 | 0.1° | 0.1° |
| C30 | C24 | O25 | C26 | 95.6° | 0.0° |
| C24 | C30 | C31 | H52 | 180.0° | 179.8° |
| C30 | C24 | C23 | H51 | 179.4° | 180.0° |
| C24 | C30 | C31 | H53 | 179.4° | 179.7° |
| O25 | C26 | F27 | F28 | 119.8° | 120.0° |
| O25 | C26 | F27 | F29 | 125.7° | 120.0° |
| O25 | C26 | F28 | F29 | 117.7° | 120.0° |
| F27 | C26 | F28 | F29 | 119.1° | 120.0° |
| C33 | C34 | C35 | H36 | 130.6° | 137.7° |
| C34 | C33 | H54 | H55 | 125.5° | 123.5° |
| C33 | C34 | C35 | H57 | 43.7° | 32.4° |
| C33 | C34 | C35 | H56 | 80.8° | 91.2° |
| C35 | C34 | C33 | H54 | 83.3° | 91.2° |
| C35 | C34 | C33 | H55 | 40.6° | 32.4° |
| C34 | C35 | H57 | H56 | 126.2° | 123.5° |
| H43 | C10 | C9 | H42 | 0.3° | 0.4° |
| H50 | C22 | C23 | H51 | 0.1° | 0.1° |
| H40 | C6 | C7 | H41 | 0.5° | 0.0° |
| H52 | C30 | C31 | H53 | 0.6° | 0.1° |
| H54 | C33 | C34 | H36 | 47.2° | 46.7° |
| H55 | C33 | C34 | H36 | 171.1° | 170.3° |
| H36 | C34 | C35 | H57 | 174.2° | 170.1° |
| H36 | C34 | C35 | H56 | 49.8° | 46.6° |
| H60 | C37 | H58 | H59 | 119.9° | 120.0° |
