Y2Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.40Å | 1.38Å | Aromatic |
| C02 | C03 | sing | 1.36Å | 1.37Å | Aromatic |
| C01 | C04 | sing | 1.39Å | 1.42Å | Aromatic |
| C04 | C05 | doub | 1.40Å | 1.36Å | Aromatic |
| C03 | C06 | doub | 1.39Å | 1.44Å | Aromatic |
| C05 | C06 | sing | 1.41Å | 1.36Å | Aromatic |
| C06 | N07 | sing | 1.37Å | 1.36Å | Aromatic |
| N07 | N08 | sing | 1.40Å | 1.39Å | Aromatic |
| C05 | N09 | sing | 1.35Å | 1.38Å | Aromatic |
| N08 | N09 | doub | 1.29Å | 1.35Å | Aromatic |
| C01 | C10 | sing | 1.48Å | 1.50Å | |
| C10 | N11 | sing | 1.35Å | 1.49Å | |
| C10 | O12 | doub | 1.22Å | 1.18Å | |
| N11 | C13 | sing | 1.47Å | 1.58Å | |
| N11 | C14 | sing | 1.48Å | 1.58Å | |
| C14 | C15 | sing | 1.55Å | 1.59Å | |
| C13 | C16 | sing | 1.54Å | 1.60Å | |
| C15 | C16 | sing | 1.55Å | 1.57Å | |
| C16 | C17 | sing | 1.54Å | 1.66Å | |
| C17 | C18 | sing | 1.54Å | 1.57Å | |
| C15 | C19 | sing | 1.54Å | 1.59Å | |
| C18 | C19 | sing | 1.55Å | 1.67Å | |
| C18 | S20 | sing | 1.81Å | 1.74Å | |
| S20 | C21 | sing | 1.81Å | 1.71Å | |
| C21 | C22 | sing | 1.53Å | 1.50Å | |
| C22 | C23 | sing | 1.51Å | 1.51Å | |
| C23 | C24 | doub | 1.38Å | 1.37Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.46Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.34Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.36Å | Aromatic |
| C23 | C28 | sing | 1.38Å | 1.35Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.46Å | Aromatic |
| S20 | O29 | doub | 1.42Å | 1.48Å | |
| S20 | O30 | doub | 1.42Å | 1.47Å | |
| C25 | CL33 | sing | 1.74Å | 1.74Å | |
| C27 | CL34 | sing | 1.74Å | 1.69Å | |
| C02 | H35 | sing | 1.08Å | 1.08Å | |
| C04 | H37 | sing | 1.08Å | 1.08Å | |
| C13 | H39 | sing | 1.09Å | 1.10Å | |
| C13 | H40 | sing | 1.09Å | 1.10Å | |
| C15 | H31 | sing | 1.09Å | 1.10Å | |
| C16 | H32 | sing | 1.09Å | 1.10Å | |
| C17 | H43 | sing | 1.09Å | 1.10Å | |
| C17 | H44 | sing | 1.09Å | 1.10Å | |
| C18 | H45 | sing | 1.09Å | 1.10Å | |
| C19 | H47 | sing | 1.09Å | 1.10Å | |
| C19 | H46 | sing | 1.09Å | 1.10Å | |
| C21 | H49 | sing | 1.09Å | 1.10Å | |
| C21 | H48 | sing | 1.09Å | 1.10Å | |
| C22 | H50 | sing | 1.09Å | 1.10Å | |
| C22 | H51 | sing | 1.09Å | 1.10Å | |
| C24 | H52 | sing | 1.08Å | 1.08Å | |
| C26 | H53 | sing | 1.08Å | 1.08Å | |
| C28 | H54 | sing | 1.08Å | 1.08Å | |
| C03 | H36 | sing | 1.08Å | 1.08Å | |
| N07 | H38 | sing | 0.97Å | 1.00Å | |
| C14 | H42 | sing | 1.09Å | 1.10Å | |
| C14 | H41 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 118.3° | 120.4° |
| C02 | C01 | C04 | 121.5° | 120.3° |
| C02 | C01 | C10 | 122.1° | 119.9° |
| C01 | C02 | H35 | 120.9° | 119.8° |
| C02 | C03 | C06 | 120.2° | 120.2° |
| C03 | C02 | H35 | 120.9° | 119.8° |
| C02 | C03 | H36 | 119.9° | 119.9° |
| C01 | C04 | C05 | 120.1° | 119.6° |
| C04 | C01 | C10 | 116.4° | 119.8° |
| C01 | C04 | H37 | 120.0° | 120.3° |
| C04 | C05 | C06 | 119.3° | 119.4° |
| C04 | C05 | N09 | 131.5° | 133.1° |
| C05 | C04 | H37 | 120.0° | 120.2° |
| C03 | C06 | C05 | 120.7° | 120.2° |
| C03 | C06 | N07 | 132.2° | 133.8° |
| C06 | C03 | H36 | 119.9° | 119.9° |
| C05 | C06 | N07 | 107.1° | 106.1° |
| C06 | C05 | N09 | 109.2° | 107.6° |
| C06 | N07 | N08 | 108.5° | 106.7° |
| C06 | N07 | H38 | 125.8° | 126.6° |
| N07 | N08 | N09 | 108.1° | 109.6° |
| N08 | N07 | H38 | 125.8° | 126.7° |
| C05 | N09 | N08 | 107.1° | 110.1° |
| C01 | C10 | N11 | 121.2° | 120.0° |
| C01 | C10 | O12 | 119.1° | 120.0° |
| N11 | C10 | O12 | 119.7° | 120.0° |
| C10 | N11 | C13 | 125.3° | 127.0° |
| C10 | N11 | C14 | 126.3° | 127.0° |
| C13 | N11 | C14 | 108.4° | 106.0° |
| N11 | C13 | C16 | 105.0° | 107.2° |
| N11 | C13 | H39 | 110.6° | 109.9° |
| N11 | C13 | H40 | 110.6° | 110.0° |
| N11 | C14 | C15 | 104.8° | 103.3° |
| N11 | C14 | H42 | 110.6° | 110.6° |
| N11 | C14 | H41 | 110.6° | 110.6° |
| C14 | C15 | C16 | 107.6° | 102.9° |
| C14 | C15 | C19 | 129.3° | 108.9° |
| C14 | C15 | H31 | 102.9° | 113.6° |
| C15 | C14 | H42 | 110.6° | 110.7° |
| C15 | C14 | H41 | 110.6° | 110.6° |
| C13 | C16 | C15 | 108.3° | 104.8° |
| C13 | C16 | C17 | 129.7° | 108.8° |
| C16 | C13 | H39 | 110.6° | 109.9° |
| C16 | C13 | H40 | 110.6° | 109.9° |
| C13 | C16 | H32 | 103.2° | 111.9° |
| C15 | C16 | C17 | 106.5° | 106.5° |
| C16 | C15 | C19 | 108.1° | 104.6° |
| C16 | C15 | H31 | 103.0° | 113.1° |
| C15 | C16 | H32 | 103.4° | 111.9° |
| C16 | C17 | C18 | 102.9° | 106.7° |
| C17 | C16 | H32 | 102.7° | 112.5° |
| C16 | C17 | H43 | 111.1° | 110.0° |
| C16 | C17 | H44 | 111.1° | 110.0° |
| C17 | C18 | C19 | 103.8° | 104.2° |
| C17 | C18 | S20 | 115.3° | 110.5° |
| C18 | C17 | H43 | 111.1° | 110.0° |
| C18 | C17 | H44 | 111.1° | 110.1° |
| C17 | C18 | H45 | 109.1° | 110.5° |
| C15 | C19 | C18 | 99.8° | 103.3° |
| C19 | C15 | H31 | 102.8° | 112.9° |
| C15 | C19 | H47 | 111.8° | 110.7° |
| C15 | C19 | H46 | 111.8° | 110.6° |
| C19 | C18 | S20 | 113.4° | 110.5° |
| C19 | C18 | H45 | 107.8° | 110.5° |
| C18 | C19 | H47 | 111.8° | 110.6° |
| C18 | C19 | H46 | 111.8° | 110.7° |
| C18 | S20 | C21 | 108.7° | 101.9° |
| C18 | S20 | O29 | 111.2° | 108.6° |
| C18 | S20 | O30 | 105.3° | 108.6° |
| S20 | C18 | H45 | 107.1° | 110.5° |
| S20 | C21 | C22 | 110.2° | 109.5° |
| C21 | S20 | O29 | 108.6° | 108.6° |
| C21 | S20 | O30 | 109.3° | 108.6° |
| S20 | C21 | H49 | 109.3° | 109.5° |
| S20 | C21 | H48 | 109.3° | 109.4° |
| C21 | C22 | C23 | 104.9° | 109.4° |
| C22 | C21 | H49 | 109.3° | 109.5° |
| C22 | C21 | H48 | 109.3° | 109.5° |
| C21 | C22 | H50 | 110.6° | 109.4° |
| C21 | C22 | H51 | 110.6° | 109.5° |
| C22 | C23 | C24 | 119.9° | 120.0° |
| C22 | C23 | C28 | 119.7° | 120.0° |
| C23 | C22 | H50 | 110.6° | 109.5° |
| C23 | C22 | H51 | 110.6° | 109.5° |
| C23 | C24 | C25 | 120.8° | 120.0° |
| C24 | C23 | C28 | 120.4° | 120.0° |
| C23 | C24 | H52 | 119.6° | 119.9° |
| C24 | C25 | C26 | 119.6° | 120.0° |
| C24 | C25 | CL33 | 120.3° | 120.0° |
| C25 | C24 | H52 | 119.6° | 120.0° |
| C25 | C26 | C27 | 118.6° | 120.0° |
| C26 | C25 | CL33 | 120.1° | 120.0° |
| C25 | C26 | H53 | 120.7° | 120.0° |
| C26 | C27 | C28 | 123.3° | 120.0° |
| C26 | C27 | CL34 | 119.1° | 120.0° |
| C27 | C26 | H53 | 120.7° | 120.0° |
| C23 | C28 | C27 | 117.4° | 120.0° |
| C23 | C28 | H54 | 121.3° | 120.0° |
| C28 | C27 | CL34 | 117.6° | 120.0° |
| C27 | C28 | H54 | 121.3° | 120.0° |
| O29 | S20 | O30 | 113.6° | 119.2° |
| H39 | C13 | H40 | 109.5° | 109.9° |
| H43 | C17 | H44 | 109.5° | 110.1° |
| H47 | C19 | H46 | 109.5° | 110.7° |
| H49 | C21 | H48 | 109.4° | 109.5° |
| H50 | C22 | H51 | 109.5° | 109.5° |
| H42 | C14 | H41 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H35 | 180.0° | 180.0° |
| C02 | C01 | C04 | C10 | 178.7° | 179.7° |
| C02 | C01 | C04 | C05 | 0.1° | 0.1° |
| C01 | C02 | C03 | C06 | 0.7° | 0.0° |
| C02 | C01 | C10 | N11 | 53.5° | 24.1° |
| C02 | C01 | C10 | O12 | 126.1° | 155.8° |
| C02 | C01 | C04 | H37 | 179.9° | 180.0° |
| C01 | C02 | C03 | H36 | 179.3° | 180.0° |
| C03 | C02 | C01 | C04 | 0.1° | 0.0° |
| C02 | C03 | C06 | H36 | 180.0° | 180.0° |
| C02 | C03 | C06 | C05 | 1.3° | 0.0° |
| C02 | C03 | C06 | N07 | 179.3° | 180.0° |
| C03 | C02 | C01 | C10 | 178.6° | 179.7° |
| C01 | C04 | C05 | H37 | 180.0° | 179.9° |
| C01 | C04 | C05 | C06 | 0.4° | 0.1° |
| C01 | C04 | C05 | N09 | 179.8° | 180.0° |
| C04 | C01 | C10 | N11 | 127.8° | 156.1° |
| C04 | C01 | C10 | O12 | 52.6° | 23.9° |
| C04 | C01 | C02 | H35 | 180.0° | 180.0° |
| C04 | C05 | C06 | C03 | 1.1° | 0.1° |
| C04 | C05 | C06 | N09 | 179.8° | 179.9° |
| C04 | C05 | C06 | N07 | 179.5° | 180.0° |
| C04 | C05 | N09 | N08 | 179.8° | 180.0° |
| C05 | C04 | C01 | C10 | 178.5° | 179.8° |
| C03 | C06 | C05 | N07 | 178.4° | 180.0° |
| C03 | C06 | N07 | N08 | 178.8° | 180.0° |
| C03 | C06 | C05 | N09 | 179.1° | 180.0° |
| C06 | C03 | C02 | H35 | 179.3° | 180.0° |
| C03 | C06 | N07 | H38 | 1.2° | 0.1° |
| C05 | C06 | N07 | N08 | 0.6° | 0.0° |
| C06 | C05 | N09 | N08 | 0.4° | 0.1° |
| C06 | C05 | C04 | H37 | 179.6° | 180.0° |
| C05 | C06 | C03 | H36 | 178.7° | 180.0° |
| C05 | C06 | N07 | H38 | 179.4° | 180.0° |
| C06 | N07 | N08 | H38 | 180.0° | 179.9° |
| N07 | C06 | C05 | N09 | 0.6° | 0.1° |
| C06 | N07 | N08 | N09 | 0.4° | 0.0° |
| N07 | C06 | C03 | H36 | 0.7° | 0.0° |
| N07 | N08 | N09 | C05 | 0.0° | 0.0° |
| N09 | C05 | C04 | H37 | 0.2° | 0.1° |
| N09 | N08 | N07 | H38 | 179.7° | 180.0° |
| C01 | C10 | N11 | O12 | 179.6° | 179.9° |
| C01 | C10 | N11 | C13 | 179.2° | 5.9° |
| C01 | C10 | N11 | C14 | 0.3° | 174.1° |
| C10 | C01 | C02 | H35 | 1.4° | 0.3° |
| C10 | C01 | C04 | H37 | 1.5° | 0.3° |
| C10 | N11 | C13 | C14 | 179.1° | 180.0° |
| C10 | N11 | C14 | C15 | 153.9° | 140.6° |
| C10 | N11 | C13 | C16 | 160.0° | 154.3° |
| C10 | N11 | C13 | H39 | 80.7° | 34.9° |
| C10 | N11 | C13 | H40 | 40.7° | 86.2° |
| C10 | N11 | C14 | H42 | 34.7° | 100.9° |
| C10 | N11 | C14 | H41 | 86.8° | 22.1° |
| O12 | C10 | N11 | C13 | 1.2° | 174.2° |
| O12 | C10 | N11 | C14 | 179.9° | 5.8° |
| C13 | N11 | C14 | C15 | 25.2° | 39.4° |
| N11 | C13 | C16 | H39 | 119.3° | 119.4° |
| N11 | C13 | C16 | H40 | 119.3° | 119.5° |
| N11 | C13 | C16 | C15 | 5.5° | 1.6° |
| N11 | C13 | C16 | C17 | 137.0° | 115.2° |
| N11 | C13 | H39 | H40 | 122.1° | 121.2° |
| N11 | C13 | C16 | H32 | 103.7° | 119.9° |
| C13 | N11 | C14 | H42 | 144.4° | 79.1° |
| C13 | N11 | C14 | H41 | 94.1° | 157.8° |
| N11 | C14 | C15 | H42 | 119.2° | 118.4° |
| N11 | C14 | C15 | H41 | 119.3° | 118.4° |
| C14 | N11 | C13 | C16 | 19.1° | 25.7° |
| N11 | C14 | C15 | C16 | 21.3° | 37.2° |
| N11 | C14 | C15 | C19 | 154.1° | 147.9° |
| C14 | N11 | C13 | H39 | 100.2° | 145.1° |
| C14 | N11 | C13 | H40 | 138.4° | 93.8° |
| N11 | C14 | C15 | H31 | 87.0° | 85.4° |
| N11 | C14 | H42 | H41 | 122.2° | 123.0° |
| C14 | C15 | C16 | C13 | 9.9° | 21.6° |
| C14 | C15 | C16 | C19 | 143.3° | 113.8° |
| C14 | C15 | C16 | H31 | 108.3° | 122.9° |
| C14 | C15 | C16 | C17 | 133.2° | 93.6° |
| C14 | C15 | C19 | H31 | 118.8° | 127.1° |
| C14 | C15 | C19 | C18 | 100.6° | 73.8° |
| C14 | C15 | C16 | H32 | 118.9° | 143.0° |
| C14 | C15 | C19 | H47 | 141.0° | 167.8° |
| C14 | C15 | C19 | H46 | 17.7° | 44.7° |
| C15 | C14 | H42 | H41 | 122.2° | 123.1° |
| C13 | C16 | C15 | C17 | 143.1° | 115.2° |
| C13 | C16 | C15 | H32 | 109.1° | 121.5° |
| C13 | C16 | C17 | H32 | 119.5° | 124.5° |
| C13 | C16 | C17 | C18 | 114.2° | 109.2° |
| C13 | C16 | C15 | C19 | 153.2° | 135.4° |
| C16 | C13 | H39 | H40 | 122.1° | 121.1° |
| C13 | C16 | C15 | H31 | 98.4° | 101.4° |
| C13 | C16 | C17 | H43 | 4.8° | 10.0° |
| C13 | C16 | C17 | H44 | 126.9° | 131.4° |
| C15 | C16 | C17 | H32 | 108.4° | 123.0° |
| C15 | C16 | C17 | C18 | 17.9° | 3.2° |
| C16 | C15 | C19 | H31 | 108.5° | 123.4° |
| C16 | C15 | C19 | C18 | 32.0° | 35.7° |
| C15 | C16 | C13 | H39 | 113.8° | 121.0° |
| C15 | C16 | C13 | H40 | 124.8° | 117.9° |
| C15 | C16 | C17 | H43 | 136.9° | 122.5° |
| C15 | C16 | C17 | H44 | 101.0° | 116.1° |
| C16 | C15 | C19 | H47 | 86.4° | 82.8° |
| C16 | C15 | C19 | H46 | 150.4° | 154.1° |
| C16 | C15 | C14 | H42 | 140.5° | 81.2° |
| C16 | C15 | C14 | H41 | 97.9° | 155.7° |
| C16 | C17 | C18 | H43 | 118.9° | 119.3° |
| C16 | C17 | C18 | H44 | 119.0° | 119.3° |
| C17 | C16 | C15 | C19 | 10.1° | 20.2° |
| C16 | C17 | C18 | C19 | 37.7° | 25.3° |
| C16 | C17 | C18 | S20 | 162.4° | 144.0° |
| C17 | C16 | C13 | H39 | 17.7° | 125.4° |
| C17 | C16 | C13 | H40 | 103.7° | 4.3° |
| C17 | C16 | C15 | H31 | 118.5° | 143.5° |
| C16 | C17 | H43 | H44 | 123.0° | 121.3° |
| C16 | C17 | C18 | H45 | 77.0° | 93.3° |
| C17 | C18 | C19 | C15 | 43.6° | 37.7° |
| C17 | C18 | C19 | S20 | 125.9° | 118.7° |
| C17 | C18 | C19 | H45 | 115.6° | 118.7° |
| C17 | C18 | S20 | H45 | 121.6° | 122.7° |
| C17 | C18 | S20 | C21 | 163.1° | 180.0° |
| C17 | C18 | S20 | O29 | 77.4° | 65.5° |
| C17 | C18 | S20 | O30 | 46.0° | 65.5° |
| C18 | C17 | C16 | H32 | 126.3° | 126.2° |
| C18 | C17 | H43 | H44 | 123.0° | 121.4° |
| C17 | C18 | C19 | H47 | 74.8° | 80.8° |
| C17 | C18 | C19 | H46 | 162.0° | 156.1° |
| C15 | C19 | C18 | H47 | 118.4° | 118.5° |
| C15 | C19 | C18 | H46 | 118.4° | 118.4° |
| C15 | C19 | C18 | S20 | 169.5° | 156.4° |
| C19 | C15 | C16 | H32 | 97.7° | 103.2° |
| C15 | C19 | C18 | H45 | 72.0° | 81.0° |
| C15 | C19 | H47 | H46 | 124.6° | 123.0° |
| C19 | C15 | C14 | H42 | 86.6° | 29.4° |
| C19 | C15 | C14 | H41 | 34.9° | 93.7° |
| C19 | C18 | S20 | H45 | 118.8° | 122.6° |
| C19 | C18 | S20 | C21 | 43.5° | 65.3° |
| C19 | C18 | S20 | O29 | 163.0° | 179.8° |
| C19 | C18 | S20 | O30 | 73.5° | 49.3° |
| C18 | C19 | C15 | H31 | 140.5° | 159.1° |
| C19 | C18 | C17 | H43 | 156.7° | 144.6° |
| C19 | C18 | C17 | H44 | 81.3° | 93.9° |
| C18 | C19 | H47 | H46 | 124.5° | 123.1° |
| C18 | S20 | C21 | O29 | 121.1° | 114.5° |
| C18 | S20 | C21 | O30 | 114.4° | 114.5° |
| C18 | S20 | C21 | C22 | 156.1° | 180.0° |
| C18 | S20 | O29 | O30 | 118.5° | 124.9° |
| S20 | C18 | C17 | H43 | 78.6° | 96.7° |
| S20 | C18 | C17 | H44 | 43.5° | 24.7° |
| S20 | C18 | C19 | H47 | 51.1° | 37.9° |
| S20 | C18 | C19 | H46 | 72.1° | 85.2° |
| C18 | S20 | C21 | H49 | 83.7° | 60.0° |
| C18 | S20 | C21 | H48 | 36.0° | 60.0° |
| S20 | C21 | C22 | H49 | 120.1° | 120.0° |
| S20 | C21 | C22 | H48 | 120.1° | 119.9° |
| S20 | C21 | C22 | C23 | 149.8° | 180.0° |
| C21 | S20 | O29 | O30 | 121.9° | 125.0° |
| C21 | S20 | C18 | H45 | 75.3° | 57.3° |
| S20 | C21 | H49 | H48 | 119.7° | 119.9° |
| S20 | C21 | C22 | H50 | 90.9° | 60.0° |
| S20 | C21 | C22 | H51 | 30.5° | 60.0° |
| C21 | C22 | C23 | H50 | 119.3° | 120.0° |
| C21 | C22 | C23 | H51 | 119.3° | 120.0° |
| C21 | C22 | C23 | C24 | 54.8° | 90.0° |
| C21 | C22 | C23 | C28 | 123.4° | 90.3° |
| C22 | C21 | S20 | O29 | 35.0° | 65.5° |
| C22 | C21 | S20 | O30 | 89.5° | 65.5° |
| C22 | C21 | H49 | H48 | 119.6° | 120.1° |
| C21 | C22 | H50 | H51 | 122.1° | 120.0° |
| C22 | C23 | C24 | C28 | 178.2° | 179.7° |
| C22 | C23 | C24 | C25 | 178.7° | 180.0° |
| C22 | C23 | C28 | C27 | 178.6° | 179.8° |
| C23 | C22 | C21 | H49 | 29.7° | 60.0° |
| C23 | C22 | C21 | H48 | 90.1° | 60.1° |
| C23 | C22 | H50 | H51 | 122.1° | 120.0° |
| C22 | C23 | C24 | H52 | 1.3° | 0.0° |
| C22 | C23 | C28 | H54 | 1.4° | 0.0° |
| C23 | C24 | C25 | H52 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.1° | 0.1° |
| C24 | C23 | C28 | C27 | 0.4° | 0.5° |
| C23 | C24 | C25 | CL33 | 179.8° | 179.9° |
| C24 | C23 | C22 | H50 | 174.1° | 30.0° |
| C24 | C23 | C22 | H51 | 64.5° | 150.0° |
| C24 | C23 | C28 | H54 | 179.6° | 179.7° |
| C24 | C25 | C26 | CL33 | 179.7° | 180.0° |
| C24 | C25 | C26 | C27 | 0.6° | 0.0° |
| C25 | C24 | C23 | C28 | 0.5° | 0.3° |
| C24 | C25 | C26 | H53 | 179.5° | 180.0° |
| C25 | C26 | C27 | H53 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.8° | 0.2° |
| C25 | C26 | C27 | CL34 | 179.6° | 180.0° |
| C26 | C25 | C24 | H52 | 179.9° | 180.0° |
| C26 | C27 | C28 | C23 | 0.3° | 0.5° |
| C26 | C27 | C28 | CL34 | 179.7° | 179.8° |
| C27 | C26 | C25 | CL33 | 179.2° | 180.0° |
| C26 | C27 | C28 | H54 | 179.7° | 179.7° |
| C23 | C28 | C27 | H54 | 180.0° | 179.8° |
| C23 | C28 | C27 | CL34 | 180.0° | 179.7° |
| C28 | C23 | C22 | H50 | 4.2° | 149.7° |
| C28 | C23 | C22 | H51 | 117.3° | 29.7° |
| C28 | C23 | C24 | H52 | 179.5° | 179.7° |
| C28 | C27 | C26 | H53 | 179.2° | 179.8° |
| O29 | S20 | C18 | H45 | 44.2° | 57.2° |
| O29 | S20 | C21 | H49 | 155.1° | 54.5° |
| O29 | S20 | C21 | H48 | 85.1° | 174.5° |
| O30 | S20 | C18 | H45 | 167.6° | 171.9° |
| O30 | S20 | C21 | H49 | 30.7° | 174.5° |
| O30 | S20 | C21 | H48 | 150.4° | 54.5° |
| CL33 | C25 | C24 | H52 | 0.2° | 0.0° |
| CL33 | C25 | C26 | H53 | 0.8° | 0.0° |
| CL34 | C27 | C26 | H53 | 0.4° | 0.0° |
| CL34 | C27 | C28 | H54 | 0.0° | 0.1° |
| H35 | C02 | C03 | H36 | 0.7° | 0.0° |
| H39 | C13 | C16 | H32 | 137.0° | 0.5° |
| H40 | C13 | C16 | H32 | 15.6° | 120.6° |
| H31 | C15 | C16 | H32 | 10.7° | 20.1° |
| H31 | C15 | C19 | H47 | 22.1° | 40.7° |
| H31 | C15 | C19 | H46 | 101.1° | 82.4° |
| H31 | C15 | C14 | H42 | 32.2° | 156.2° |
| H31 | C15 | C14 | H41 | 153.7° | 33.0° |
| H32 | C16 | C17 | H43 | 114.7° | 114.5° |
| H32 | C16 | C17 | H44 | 7.4° | 6.9° |
| H43 | C17 | C18 | H45 | 41.9° | 25.9° |
| H44 | C17 | C18 | H45 | 164.0° | 147.4° |
| H45 | C18 | C19 | H47 | 169.5° | 160.5° |
| H45 | C18 | C19 | H46 | 46.3° | 37.4° |
| H49 | C21 | C22 | H50 | 148.9° | 60.0° |
| H49 | C21 | C22 | H51 | 89.6° | 180.0° |
| H48 | C21 | C22 | H50 | 29.2° | 180.0° |
| H48 | C21 | C22 | H51 | 150.7° | 59.9° |






