Y9S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C2 | sing | 1.40Å | 1.31Å | |
| C2 | O3 | sing | 1.43Å | 1.40Å | |
| C2 | F4 | sing | 1.40Å | 1.35Å | |
| C2 | F5 | sing | 1.40Å | 1.37Å | |
| O3 | C6 | sing | 1.36Å | 1.40Å | |
| C6 | C7 | doub | 1.39Å | 1.43Å | Aromatic |
| C6 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.42Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| C9 | C12 | sing | 1.51Å | 1.56Å | |
| C10 | C11 | doub | 1.38Å | 1.43Å | Aromatic |
| C12 | O13 | sing | 1.45Å | 1.44Å | |
| O13 | C14 | sing | 1.35Å | 1.41Å | |
| C14 | O15 | doub | 1.22Å | 1.24Å | |
| C14 | N16 | sing | 1.35Å | 1.38Å | |
| N16 | C17 | sing | 1.49Å | 1.50Å | |
| N16 | C18 | sing | 1.50Å | 1.48Å | |
| C17 | C20 | sing | 1.50Å | 1.55Å | |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| C19 | C20 | sing | 1.58Å | 1.57Å | |
| C19 | C23 | sing | 1.51Å | 1.52Å | |
| C20 | C21 | sing | 1.49Å | 1.50Å | |
| C21 | N22 | sing | 1.49Å | 1.53Å | |
| N22 | C23 | sing | 1.50Å | 1.50Å | |
| N22 | C26 | sing | 1.35Å | 1.42Å | |
| C26 | C27 | sing | 1.48Å | 1.48Å | |
| C26 | O28 | doub | 1.22Å | 1.26Å | |
| C27 | C29 | doub | 1.40Å | 1.46Å | Aromatic |
| C27 | C33 | sing | 1.40Å | 1.37Å | Aromatic |
| C29 | N30 | sing | 1.32Å | 1.37Å | Aromatic |
| N30 | C31 | doub | 1.32Å | 1.42Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.36Å | Aromatic |
| C31 | S34 | sing | 1.76Å | 1.79Å | |
| C32 | C33 | doub | 1.38Å | 1.42Å | Aromatic |
| S34 | N35 | sing | 1.66Å | 1.68Å | |
| S34 | O36 | doub | 1.42Å | 1.48Å | |
| S34 | O37 | doub | 1.42Å | 1.42Å | |
| C10 | H40 | sing | 1.08Å | 1.08Å | |
| C11 | H41 | sing | 1.08Å | 1.08Å | |
| C17 | H45 | sing | 1.09Å | 1.10Å | |
| C17 | H44 | sing | 1.09Å | 1.10Å | |
| C18 | H46 | sing | 1.09Å | 1.10Å | |
| C18 | H47 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H49 | sing | 1.09Å | 1.10Å | |
| C21 | H48 | sing | 1.09Å | 1.10Å | |
| C23 | H50 | sing | 1.09Å | 1.10Å | |
| C23 | H51 | sing | 1.09Å | 1.10Å | |
| C7 | H38 | sing | 1.08Å | 1.08Å | |
| C8 | H39 | sing | 1.08Å | 1.08Å | |
| C12 | H43 | sing | 1.09Å | 1.10Å | |
| C12 | H42 | sing | 1.09Å | 1.10Å | |
| C29 | H52 | sing | 1.08Å | 1.08Å | |
| C32 | H53 | sing | 1.08Å | 1.08Å | |
| C33 | H54 | sing | 1.08Å | 1.08Å | |
| N35 | H55 | sing | 0.97Å | 1.00Å | |
| N35 | H56 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C2 | O3 | 111.4° | 109.5° |
| F1 | C2 | F4 | 108.7° | 109.4° |
| F1 | C2 | F5 | 107.5° | 109.5° |
| O3 | C2 | F4 | 113.8° | 109.5° |
| O3 | C2 | F5 | 108.5° | 109.5° |
| C2 | O3 | C6 | 119.2° | 117.0° |
| F4 | C2 | F5 | 106.6° | 109.5° |
| O3 | C6 | C7 | 112.2° | 120.1° |
| O3 | C6 | C11 | 125.7° | 120.1° |
| C7 | C6 | C11 | 122.1° | 119.9° |
| C6 | C7 | C8 | 117.8° | 120.0° |
| C6 | C7 | H38 | 121.1° | 120.0° |
| C6 | C11 | C10 | 118.7° | 119.9° |
| C6 | C11 | H41 | 120.7° | 120.1° |
| C7 | C8 | C9 | 120.8° | 120.0° |
| C8 | C7 | H38 | 121.1° | 120.0° |
| C7 | C8 | H39 | 119.6° | 120.0° |
| C8 | C9 | C10 | 120.4° | 120.1° |
| C8 | C9 | C12 | 117.7° | 119.9° |
| C9 | C8 | H39 | 119.6° | 120.0° |
| C10 | C9 | C12 | 121.9° | 120.0° |
| C9 | C10 | C11 | 120.2° | 120.0° |
| C9 | C10 | H40 | 119.9° | 120.0° |
| C9 | C12 | O13 | 106.9° | 109.5° |
| C9 | C12 | H43 | 110.1° | 109.5° |
| C9 | C12 | H42 | 110.1° | 109.5° |
| C11 | C10 | H40 | 119.9° | 120.0° |
| C10 | C11 | H41 | 120.7° | 120.0° |
| C12 | O13 | C14 | 118.7° | 117.0° |
| O13 | C12 | H43 | 110.1° | 109.5° |
| O13 | C12 | H42 | 110.1° | 109.4° |
| O13 | C14 | O15 | 123.2° | 120.0° |
| O13 | C14 | N16 | 113.0° | 120.0° |
| O15 | C14 | N16 | 123.5° | 120.1° |
| C14 | N16 | C17 | 121.2° | 126.1° |
| C14 | N16 | C18 | 124.2° | 126.1° |
| C17 | N16 | C18 | 114.5° | 107.8° |
| N16 | C17 | C20 | 100.5° | 104.6° |
| N16 | C17 | H45 | 111.6° | 110.5° |
| N16 | C17 | H44 | 111.7° | 110.5° |
| N16 | C18 | C19 | 100.7° | 102.4° |
| N16 | C18 | H46 | 111.6° | 110.8° |
| N16 | C18 | H47 | 111.6° | 111.0° |
| C17 | C20 | C19 | 101.8° | 100.6° |
| C17 | C20 | C21 | 126.7° | 129.2° |
| C20 | C17 | H45 | 111.7° | 110.4° |
| C20 | C17 | H44 | 111.7° | 110.3° |
| C17 | C20 | H24 | 109.2° | 108.5° |
| C18 | C19 | C20 | 102.9° | 97.8° |
| C18 | C19 | C23 | 123.7° | 124.1° |
| C19 | C18 | H46 | 111.6° | 110.8° |
| C19 | C18 | H47 | 111.6° | 110.9° |
| C18 | C19 | H25 | 109.6° | 111.3° |
| C20 | C19 | C23 | 100.4° | 97.7° |
| C19 | C20 | C21 | 98.5° | 100.7° |
| C20 | C19 | H25 | 109.2° | 111.8° |
| C19 | C20 | H24 | 108.9° | 107.6° |
| C19 | C23 | N22 | 100.2° | 102.4° |
| C23 | C19 | H25 | 109.7° | 111.7° |
| C19 | C23 | H50 | 111.7° | 110.8° |
| C19 | C23 | H51 | 111.7° | 110.8° |
| C20 | C21 | N22 | 97.5° | 104.6° |
| C21 | C20 | H24 | 109.8° | 107.9° |
| C20 | C21 | H49 | 112.4° | 110.4° |
| C20 | C21 | H48 | 112.4° | 110.4° |
| C21 | N22 | C23 | 110.9° | 107.7° |
| C21 | N22 | C26 | 122.8° | 126.1° |
| N22 | C21 | H49 | 112.4° | 110.4° |
| N22 | C21 | H48 | 112.4° | 110.4° |
| C23 | N22 | C26 | 126.3° | 126.2° |
| N22 | C23 | H50 | 111.7° | 110.8° |
| N22 | C23 | H51 | 111.8° | 111.0° |
| N22 | C26 | C27 | 119.5° | 120.0° |
| N22 | C26 | O28 | 123.5° | 120.0° |
| C27 | C26 | O28 | 116.9° | 120.0° |
| C26 | C27 | C29 | 114.3° | 120.5° |
| C26 | C27 | C33 | 127.1° | 120.6° |
| C29 | C27 | C33 | 118.5° | 118.9° |
| C27 | C29 | N30 | 123.5° | 120.6° |
| C27 | C29 | H52 | 118.3° | 119.7° |
| C27 | C33 | C32 | 118.6° | 118.3° |
| C27 | C33 | H54 | 120.7° | 120.8° |
| C29 | N30 | C31 | 115.4° | 121.9° |
| N30 | C29 | H52 | 118.2° | 119.8° |
| N30 | C31 | C32 | 123.0° | 121.1° |
| N30 | C31 | S34 | 116.6° | 119.5° |
| C32 | C31 | S34 | 120.5° | 119.5° |
| C31 | C32 | C33 | 121.0° | 119.3° |
| C31 | C32 | H53 | 119.5° | 120.4° |
| C31 | S34 | N35 | 97.6° | 107.2° |
| C31 | S34 | O36 | 103.0° | 106.4° |
| C31 | S34 | O37 | 113.2° | 106.4° |
| C33 | C32 | H53 | 119.5° | 120.3° |
| C32 | C33 | H54 | 120.7° | 120.9° |
| N35 | S34 | O36 | 115.8° | 106.4° |
| N35 | S34 | O37 | 109.8° | 106.4° |
| S34 | N35 | H55 | 109.5° | 120.0° |
| S34 | N35 | H56 | 109.4° | 120.0° |
| O36 | S34 | O37 | 115.8° | 123.1° |
| H45 | C17 | H44 | 109.5° | 110.4° |
| H46 | C18 | H47 | 109.5° | 110.7° |
| H49 | C21 | H48 | 109.5° | 110.5° |
| H50 | C23 | H51 | 109.5° | 110.7° |
| H43 | C12 | H42 | 109.4° | 109.4° |
| H55 | N35 | H56 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C2 | O3 | F4 | 123.3° | 120.0° |
| F1 | C2 | O3 | F5 | 118.2° | 120.0° |
| F1 | C2 | F4 | F5 | 115.6° | 120.0° |
| F1 | C2 | O3 | C6 | 179.0° | 60.0° |
| O3 | C2 | F4 | F5 | 119.6° | 120.1° |
| C2 | O3 | C6 | C7 | 92.7° | 180.0° |
| C2 | O3 | C6 | C11 | 87.6° | 0.0° |
| F4 | C2 | O3 | C6 | 55.7° | 60.0° |
| F5 | C2 | O3 | C6 | 62.8° | 180.0° |
| O3 | C6 | C7 | C11 | 179.7° | 180.0° |
| O3 | C6 | C7 | C8 | 178.9° | 180.0° |
| O3 | C6 | C11 | C10 | 178.8° | 180.0° |
| O3 | C6 | C11 | H41 | 1.2° | 0.1° |
| O3 | C6 | C7 | H38 | 1.1° | 0.1° |
| C6 | C7 | C8 | H38 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 1.0° | 0.3° |
| C7 | C6 | C11 | C10 | 0.9° | 0.0° |
| C7 | C6 | C11 | H41 | 179.1° | 180.0° |
| C6 | C7 | C8 | H39 | 179.0° | 180.0° |
| C11 | C6 | C7 | C8 | 0.8° | 0.1° |
| C6 | C11 | C10 | C9 | 1.1° | 0.3° |
| C6 | C11 | C10 | H41 | 180.0° | 179.9° |
| C6 | C11 | C10 | H40 | 178.9° | 180.0° |
| C11 | C6 | C7 | H38 | 179.2° | 180.0° |
| C7 | C8 | C9 | H39 | 180.0° | 179.7° |
| C7 | C8 | C9 | C10 | 1.3° | 0.6° |
| C7 | C8 | C9 | C12 | 177.4° | 180.0° |
| C8 | C9 | C10 | C12 | 178.6° | 179.5° |
| C8 | C9 | C10 | C11 | 1.3° | 0.5° |
| C8 | C9 | C12 | O13 | 117.9° | 90.0° |
| C8 | C9 | C10 | H40 | 178.7° | 179.7° |
| C9 | C8 | C7 | H38 | 179.0° | 179.8° |
| C8 | C9 | C12 | H43 | 122.5° | 150.0° |
| C8 | C9 | C12 | H42 | 1.7° | 30.0° |
| C9 | C10 | C11 | H40 | 180.0° | 179.7° |
| C10 | C9 | C12 | O13 | 63.4° | 90.5° |
| C9 | C10 | C11 | H41 | 178.8° | 179.8° |
| C10 | C9 | C8 | H39 | 178.7° | 179.7° |
| C10 | C9 | C12 | H43 | 56.2° | 29.5° |
| C10 | C9 | C12 | H42 | 177.0° | 149.5° |
| C12 | C9 | C10 | C11 | 177.3° | 180.0° |
| C9 | C12 | O13 | H43 | 119.6° | 120.0° |
| C9 | C12 | O13 | H42 | 119.6° | 120.1° |
| C9 | C12 | O13 | C14 | 172.1° | 180.0° |
| C12 | C9 | C10 | H40 | 2.7° | 0.2° |
| C12 | C9 | C8 | H39 | 2.6° | 0.3° |
| C9 | C12 | H43 | H42 | 121.2° | 120.1° |
| C12 | O13 | C14 | O15 | 7.1° | 0.1° |
| C12 | O13 | C14 | N16 | 178.6° | 180.0° |
| O13 | C12 | H43 | H42 | 121.2° | 119.9° |
| O13 | C14 | O15 | N16 | 173.7° | 179.9° |
| O13 | C14 | N16 | C17 | 177.4° | 179.9° |
| O13 | C14 | N16 | C18 | 7.7° | 0.1° |
| C14 | O13 | C12 | H43 | 52.4° | 59.9° |
| C14 | O13 | C12 | H42 | 68.3° | 60.0° |
| O15 | C14 | N16 | C17 | 8.3° | 0.0° |
| O15 | C14 | N16 | C18 | 166.5° | 179.9° |
| C14 | N16 | C17 | C18 | 175.3° | 179.9° |
| C14 | N16 | C17 | C20 | 162.1° | 173.2° |
| C14 | N16 | C18 | C19 | 170.6° | 154.2° |
| C14 | N16 | C17 | H45 | 79.4° | 54.4° |
| C14 | N16 | C17 | H44 | 43.5° | 68.1° |
| C14 | N16 | C18 | H46 | 70.8° | 36.0° |
| C14 | N16 | C18 | H47 | 52.1° | 87.5° |
| N16 | C17 | C20 | H45 | 118.5° | 118.8° |
| N16 | C17 | C20 | H44 | 118.5° | 118.9° |
| C17 | N16 | C18 | C19 | 14.2° | 25.9° |
| N16 | C17 | C20 | C19 | 34.5° | 35.0° |
| N16 | C17 | C20 | C21 | 144.5° | 148.4° |
| N16 | C17 | H45 | H44 | 124.2° | 122.6° |
| C17 | N16 | C18 | H46 | 104.3° | 144.1° |
| C17 | N16 | C18 | H47 | 132.8° | 92.4° |
| N16 | C17 | C20 | H24 | 80.6° | 77.8° |
| C18 | N16 | C17 | C20 | 13.2° | 6.7° |
| N16 | C18 | C19 | H46 | 118.6° | 118.2° |
| N16 | C18 | C19 | H47 | 118.6° | 118.4° |
| N16 | C18 | C19 | C20 | 35.5° | 45.7° |
| N16 | C18 | C19 | C23 | 147.6° | 150.6° |
| C18 | N16 | C17 | H45 | 105.3° | 125.5° |
| C18 | N16 | C17 | H44 | 131.8° | 112.0° |
| N16 | C18 | H46 | H47 | 124.1° | 123.6° |
| N16 | C18 | C19 | H25 | 80.5° | 71.5° |
| C17 | C20 | C19 | C18 | 45.0° | 50.1° |
| C17 | C20 | C19 | C21 | 130.4° | 133.7° |
| C17 | C20 | C19 | H24 | 115.3° | 113.5° |
| C17 | C20 | C19 | C23 | 173.3° | 176.3° |
| C17 | C20 | C21 | H24 | 134.6° | 134.1° |
| C17 | C20 | C21 | N22 | 161.4° | 148.4° |
| C20 | C17 | H45 | H44 | 124.2° | 122.3° |
| C17 | C20 | C19 | H25 | 71.4° | 66.6° |
| C17 | C20 | C21 | H49 | 43.4° | 29.6° |
| C17 | C20 | C21 | H48 | 80.6° | 92.8° |
| C18 | C19 | C20 | C23 | 128.4° | 126.1° |
| C18 | C19 | C20 | H25 | 116.3° | 116.8° |
| C18 | C19 | C23 | H25 | 131.8° | 137.8° |
| C18 | C19 | C20 | C21 | 175.4° | 176.2° |
| C18 | C19 | C23 | N22 | 149.6° | 150.5° |
| C19 | C18 | H46 | H47 | 124.1° | 123.5° |
| C18 | C19 | C20 | H24 | 70.3° | 63.4° |
| C18 | C19 | C23 | H50 | 31.2° | 32.3° |
| C18 | C19 | C23 | H51 | 91.9° | 91.0° |
| C20 | C19 | C23 | H25 | 114.9° | 117.3° |
| C19 | C20 | C21 | H24 | 113.7° | 112.6° |
| C19 | C20 | C21 | N22 | 49.8° | 35.1° |
| C20 | C19 | C23 | N22 | 36.3° | 45.6° |
| C19 | C20 | C17 | H45 | 84.1° | 153.8° |
| C19 | C20 | C17 | H44 | 153.0° | 83.9° |
| C20 | C19 | C18 | H46 | 83.0° | 163.9° |
| C20 | C19 | C18 | H47 | 154.1° | 72.7° |
| C19 | C20 | C21 | H49 | 68.2° | 83.7° |
| C19 | C20 | C21 | H48 | 167.8° | 153.8° |
| C20 | C19 | C23 | H50 | 82.2° | 72.6° |
| C20 | C19 | C23 | H51 | 154.8° | 164.1° |
| C23 | C19 | C20 | C21 | 56.3° | 50.1° |
| C19 | C23 | N22 | C21 | 5.4° | 25.8° |
| C19 | C23 | N22 | H50 | 118.5° | 118.3° |
| C19 | C23 | N22 | H51 | 118.5° | 118.3° |
| C19 | C23 | N22 | C26 | 174.1° | 154.1° |
| C23 | C19 | C18 | H46 | 29.1° | 91.3° |
| C23 | C19 | C18 | H47 | 93.8° | 32.1° |
| C23 | C19 | C20 | H24 | 58.1° | 62.7° |
| C19 | C23 | H50 | H51 | 124.3° | 123.4° |
| C20 | C21 | N22 | H49 | 118.0° | 118.8° |
| C20 | C21 | N22 | H48 | 118.0° | 118.8° |
| C20 | C21 | N22 | C23 | 29.0° | 6.8° |
| C20 | C21 | N22 | C26 | 151.5° | 173.3° |
| C21 | C20 | C17 | H45 | 26.0° | 92.8° |
| C21 | C20 | C17 | H44 | 96.9° | 29.5° |
| C21 | C20 | C19 | H25 | 59.0° | 67.0° |
| C20 | C21 | H49 | H48 | 125.6° | 122.5° |
| C21 | N22 | C23 | C26 | 179.5° | 179.9° |
| C21 | N22 | C26 | C27 | 176.4° | 176.4° |
| C21 | N22 | C26 | O28 | 0.6° | 3.6° |
| N22 | C21 | C20 | H24 | 63.9° | 77.5° |
| N22 | C21 | H49 | H48 | 125.6° | 122.4° |
| C21 | N22 | C23 | H50 | 113.1° | 92.4° |
| C21 | N22 | C23 | H51 | 123.9° | 144.1° |
| C23 | N22 | C26 | C27 | 4.2° | 3.4° |
| C23 | N22 | C26 | O28 | 178.9° | 176.5° |
| N22 | C23 | C19 | H25 | 78.6° | 71.6° |
| C23 | N22 | C21 | H49 | 89.0° | 112.0° |
| C23 | N22 | C21 | H48 | 146.9° | 125.6° |
| N22 | C23 | H50 | H51 | 124.4° | 123.6° |
| N22 | C26 | C27 | O28 | 177.2° | 179.9° |
| N22 | C26 | C27 | C29 | 102.3° | 155.0° |
| N22 | C26 | C27 | C33 | 78.2° | 25.2° |
| C26 | N22 | C21 | H49 | 90.5° | 67.9° |
| C26 | N22 | C21 | H48 | 33.6° | 54.5° |
| C26 | N22 | C23 | H50 | 67.4° | 87.7° |
| C26 | N22 | C23 | H51 | 55.6° | 35.8° |
| C26 | C27 | C29 | C33 | 179.6° | 179.7° |
| C26 | C27 | C29 | N30 | 179.9° | 179.9° |
| C26 | C27 | C33 | C32 | 177.9° | 179.7° |
| C26 | C27 | C29 | H52 | 0.1° | 0.0° |
| C26 | C27 | C33 | H54 | 2.1° | 0.0° |
| O28 | C26 | C27 | C29 | 74.9° | 25.0° |
| O28 | C26 | C27 | C33 | 104.7° | 154.7° |
| C27 | C29 | N30 | H52 | 180.0° | 179.9° |
| C27 | C29 | N30 | C31 | 2.0° | 0.1° |
| C29 | C27 | C33 | C32 | 1.6° | 0.5° |
| C29 | C27 | C33 | H54 | 178.4° | 179.7° |
| C33 | C27 | C29 | N30 | 0.3° | 0.3° |
| C27 | C33 | C32 | C31 | 1.8° | 0.5° |
| C27 | C33 | C32 | H54 | 180.0° | 179.7° |
| C33 | C27 | C29 | H52 | 179.7° | 179.8° |
| C27 | C33 | C32 | H53 | 178.2° | 179.8° |
| C29 | N30 | C31 | C32 | 1.9° | 0.1° |
| C29 | N30 | C31 | S34 | 176.5° | 180.0° |
| N30 | C31 | C32 | S34 | 178.3° | 179.9° |
| N30 | C31 | C32 | C33 | 0.0° | 0.3° |
| N30 | C31 | S34 | N35 | 35.6° | 90.0° |
| N30 | C31 | S34 | O36 | 154.4° | 156.4° |
| N30 | C31 | S34 | O37 | 79.9° | 23.5° |
| C31 | N30 | C29 | H52 | 178.0° | 180.0° |
| N30 | C31 | C32 | H53 | 180.0° | 180.0° |
| C31 | C32 | C33 | H53 | 180.0° | 179.7° |
| C32 | C31 | S34 | N35 | 146.0° | 90.1° |
| C32 | C31 | S34 | O36 | 27.2° | 23.5° |
| C32 | C31 | S34 | O37 | 98.6° | 156.4° |
| C31 | C32 | C33 | H54 | 178.2° | 179.7° |
| S34 | C31 | C32 | C33 | 178.3° | 179.8° |
| C31 | S34 | N35 | O36 | 108.4° | 113.6° |
| C31 | S34 | N35 | O37 | 118.1° | 113.5° |
| C31 | S34 | O36 | O37 | 124.1° | 123.0° |
| S34 | C31 | C32 | H53 | 1.7° | 0.1° |
| C31 | S34 | N35 | H55 | 180.0° | 150.0° |
| C31 | S34 | N35 | H56 | 60.0° | 30.0° |
| N35 | S34 | O36 | O37 | 130.7° | 122.9° |
| S34 | N35 | H55 | H56 | 120.0° | 180.0° |
| O36 | S34 | N35 | H55 | 71.6° | 36.4° |
| O36 | S34 | N35 | H56 | 168.4° | 143.5° |
| O37 | S34 | N35 | H55 | 61.9° | 96.5° |
| O37 | S34 | N35 | H56 | 58.1° | 83.6° |
| H40 | C10 | C11 | H41 | 1.2° | 0.1° |
| H45 | C17 | C20 | H24 | 160.9° | 41.1° |
| H44 | C17 | C20 | H24 | 37.9° | 163.4° |
| H46 | C18 | C19 | H25 | 160.9° | 46.7° |
| H47 | C18 | C19 | H25 | 38.1° | 170.1° |
| H25 | C19 | C20 | H24 | 173.4° | 179.9° |
| H25 | C19 | C23 | H50 | 163.0° | 170.1° |
| H25 | C19 | C23 | H51 | 39.9° | 46.9° |
| H24 | C20 | C21 | H49 | 178.1° | 163.7° |
| H24 | C20 | C21 | H48 | 54.1° | 41.2° |
| H38 | C7 | C8 | H39 | 1.0° | 0.0° |
| H53 | C32 | C33 | H54 | 1.8° | 0.0° |
