Q2A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| I | C10 | sing | 2.09Å | 2.16Å | |
| S | C5 | sing | 1.76Å | 1.71Å | |
| S | C4 | sing | 1.76Å | 1.75Å | |
| C5 | C10 | doub | 1.39Å | 1.50Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.43Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| N3 | C4 | doub | 1.31Å | 1.33Å | Aromatic |
| N3 | C2 | sing | 1.36Å | 1.34Å | Aromatic |
| C4 | N2 | sing | 1.37Å | 1.35Å | Aromatic |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| N4 | C3 | sing | 1.39Å | 1.33Å | |
| C8 | C7 | sing | 1.39Å | 1.45Å | Aromatic |
| C8 | O1 | sing | 1.37Å | 1.36Å | |
| C7 | O | sing | 1.37Å | 1.36Å | |
| C2 | C3 | doub | 1.40Å | 1.48Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.47Å | Aromatic |
| C16 | N5 | sing | 1.47Å | 1.47Å | |
| C3 | N | sing | 1.33Å | 1.34Å | Aromatic |
| N2 | C1 | sing | 1.38Å | 1.33Å | Aromatic |
| N2 | C12 | sing | 1.47Å | 1.47Å | |
| O | C11 | sing | 1.44Å | 1.45Å | |
| O1 | C11 | sing | 1.44Å | 1.44Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C17 | sing | 1.53Å | 1.55Å | |
| C1 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| N | C | doub | 1.32Å | 1.34Å | Aromatic |
| N5 | C17 | sing | 1.47Å | 1.48Å | |
| N5 | C18 | sing | 1.47Å | 1.49Å | |
| N1 | C | sing | 1.32Å | 1.33Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | S1 | sing | 1.76Å | 1.61Å | |
| O2 | S1 | doub | 1.42Å | 1.44Å | |
| S1 | F | sing | 1.61Å | 1.55Å | |
| S1 | O3 | doub | 1.42Å | 1.44Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| N4 | HN41 | sing | 0.97Å | 1.00Å | |
| N4 | HN42 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| I | C10 | C5 | 124.2° | 120.0° |
| I | C10 | C9 | 118.9° | 120.0° |
| C5 | S | C4 | 105.7° | 100.0° |
| S | C5 | C10 | 119.6° | 120.0° |
| S | C5 | C6 | 121.0° | 120.0° |
| S | C4 | N3 | 120.7° | 125.1° |
| S | C4 | N2 | 121.3° | 125.1° |
| C10 | C5 | C6 | 119.4° | 120.0° |
| C5 | C10 | C9 | 116.9° | 120.0° |
| C5 | C6 | C7 | 120.5° | 119.9° |
| C5 | C6 | H6 | 119.7° | 120.1° |
| C10 | C9 | C8 | 122.5° | 120.1° |
| C10 | C9 | H9 | 118.8° | 120.0° |
| C4 | N3 | C2 | 101.8° | 109.4° |
| N3 | C4 | N2 | 118.0° | 109.8° |
| N3 | C2 | C3 | 134.4° | 134.5° |
| N3 | C2 | C1 | 109.7° | 107.3° |
| C4 | N2 | C1 | 103.9° | 107.4° |
| C4 | N2 | C12 | 130.8° | 126.3° |
| C14 | C15 | C16 | 112.2° | 109.3° |
| C15 | C14 | C13 | 109.7° | 109.2° |
| C15 | C14 | H142 | 109.4° | 109.5° |
| C15 | C14 | H141 | 109.4° | 109.6° |
| C14 | C15 | H151 | 108.8° | 109.5° |
| C14 | C15 | H152 | 108.8° | 109.6° |
| C15 | C16 | N5 | 110.8° | 109.5° |
| C16 | C15 | H151 | 108.8° | 109.5° |
| C16 | C15 | H152 | 108.8° | 109.5° |
| C15 | C16 | H161 | 109.1° | 109.5° |
| C15 | C16 | H162 | 109.1° | 109.4° |
| C6 | C7 | C8 | 120.1° | 119.9° |
| C6 | C7 | O | 130.3° | 131.4° |
| C7 | C6 | H6 | 119.8° | 120.0° |
| C14 | C13 | C12 | 112.0° | 109.5° |
| C14 | C13 | C17 | 108.9° | 109.3° |
| C14 | C13 | H13 | 109.3° | 109.5° |
| C13 | C14 | H142 | 109.4° | 109.5° |
| C13 | C14 | H141 | 109.4° | 109.5° |
| C9 | C8 | C7 | 120.5° | 119.9° |
| C9 | C8 | O1 | 132.9° | 131.4° |
| C8 | C9 | H9 | 118.8° | 119.9° |
| N4 | C3 | C2 | 118.7° | 120.8° |
| N4 | C3 | N | 124.4° | 120.7° |
| C3 | N4 | HN41 | 109.5° | 120.1° |
| C3 | N4 | HN42 | 109.5° | 120.0° |
| C7 | C8 | O1 | 106.5° | 108.6° |
| C8 | C7 | O | 109.6° | 108.6° |
| C8 | O1 | C11 | 110.5° | 105.4° |
| C7 | O | C11 | 107.9° | 105.5° |
| C3 | C2 | C1 | 115.9° | 118.2° |
| C2 | C3 | N | 116.8° | 118.5° |
| C2 | C1 | N2 | 106.5° | 106.2° |
| C2 | C1 | N1 | 121.5° | 119.1° |
| C16 | N5 | C17 | 108.6° | 111.2° |
| C16 | N5 | C18 | 109.4° | 111.0° |
| N5 | C16 | H161 | 109.1° | 109.5° |
| N5 | C16 | H162 | 109.2° | 109.5° |
| C3 | N | C | 123.3° | 121.2° |
| C1 | N2 | C12 | 125.2° | 126.3° |
| N2 | C1 | N1 | 132.0° | 134.7° |
| N2 | C12 | C13 | 114.0° | 109.4° |
| N2 | C12 | H121 | 108.3° | 109.5° |
| N2 | C12 | H122 | 108.3° | 109.5° |
| O | C11 | O1 | 104.8° | 103.8° |
| O | C11 | H112 | 110.6° | 110.6° |
| O | C11 | H111 | 110.6° | 110.7° |
| O1 | C11 | H112 | 110.6° | 110.5° |
| O1 | C11 | H111 | 110.6° | 110.6° |
| C12 | C13 | C17 | 108.5° | 109.5° |
| C13 | C12 | H121 | 108.3° | 109.4° |
| C13 | C12 | H122 | 108.4° | 109.4° |
| C12 | C13 | H13 | 109.2° | 109.5° |
| C13 | C17 | N5 | 114.2° | 109.5° |
| C17 | C13 | H13 | 108.9° | 109.5° |
| C13 | C17 | H172 | 108.3° | 109.4° |
| C13 | C17 | H171 | 108.3° | 109.4° |
| C1 | N1 | C | 118.5° | 120.7° |
| N | C | N1 | 123.9° | 122.4° |
| N | C | H | 118.0° | 118.8° |
| C17 | N5 | C18 | 111.0° | 111.0° |
| N5 | C17 | H172 | 108.3° | 109.5° |
| N5 | C17 | H171 | 108.3° | 109.5° |
| N5 | C18 | C19 | 111.9° | 109.5° |
| N5 | C18 | H182 | 108.8° | 109.5° |
| N5 | C18 | H181 | 108.9° | 109.5° |
| N1 | C | H | 118.0° | 118.8° |
| C18 | C19 | C20 | 119.0° | 119.9° |
| C18 | C19 | C24 | 122.1° | 120.0° |
| C19 | C18 | H182 | 108.9° | 109.4° |
| C19 | C18 | H181 | 108.9° | 109.5° |
| C20 | C19 | C24 | 118.9° | 120.0° |
| C19 | C20 | C21 | 120.2° | 120.0° |
| C19 | C20 | H20 | 119.9° | 120.0° |
| C19 | C24 | C23 | 120.8° | 120.0° |
| C19 | C24 | H24 | 119.6° | 120.0° |
| C20 | C21 | C22 | 120.9° | 120.0° |
| C21 | C20 | H20 | 119.9° | 120.0° |
| C20 | C21 | H21 | 119.6° | 120.0° |
| C24 | C23 | C22 | 119.3° | 119.9° |
| C24 | C23 | S1 | 122.2° | 120.0° |
| C23 | C24 | H24 | 119.6° | 120.0° |
| C21 | C22 | C23 | 119.9° | 120.0° |
| C22 | C21 | H21 | 119.6° | 120.0° |
| C21 | C22 | H22 | 120.0° | 120.0° |
| C22 | C23 | S1 | 118.4° | 120.1° |
| C23 | C22 | H22 | 120.0° | 120.0° |
| C23 | S1 | O2 | 114.9° | 106.4° |
| C23 | S1 | F | 104.7° | 107.2° |
| C23 | S1 | O3 | 114.6° | 106.4° |
| O2 | S1 | F | 102.7° | 106.4° |
| O2 | S1 | O3 | 116.0° | 123.2° |
| F | S1 | O3 | 101.2° | 106.4° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H142 | C14 | H141 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.4° | 109.5° |
| H172 | C17 | H171 | 109.5° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.4° |
| H112 | C11 | H111 | 109.5° | 110.5° |
| H161 | C16 | H162 | 109.4° | 109.5° |
| HN41 | N4 | HN42 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| I | C10 | C5 | S | 1.9° | 0.2° |
| I | C10 | C5 | C9 | 179.1° | 179.9° |
| I | C10 | C5 | C6 | 179.8° | 179.9° |
| I | C10 | C9 | C8 | 178.3° | 179.9° |
| I | C10 | C9 | H9 | 1.7° | 0.1° |
| S | C5 | C10 | C6 | 177.8° | 179.7° |
| S | C5 | C10 | C9 | 179.0° | 179.7° |
| C5 | S | C4 | N3 | 104.0° | 5.2° |
| C5 | S | C4 | N2 | 74.7° | 174.8° |
| S | C5 | C6 | C7 | 178.8° | 179.7° |
| S | C5 | C6 | H6 | 1.3° | 0.3° |
| C4 | S | C5 | C10 | 138.9° | 76.8° |
| C4 | S | C5 | C6 | 43.3° | 103.5° |
| S | C4 | N3 | N2 | 178.8° | 180.0° |
| S | C4 | N3 | C2 | 179.8° | 179.9° |
| S | C4 | N2 | C1 | 179.7° | 180.0° |
| S | C4 | N2 | C12 | 1.6° | 0.1° |
| C10 | C5 | C6 | C7 | 1.0° | 0.0° |
| C5 | C10 | C9 | C8 | 2.6° | 0.0° |
| C10 | C5 | C6 | H6 | 179.1° | 180.0° |
| C5 | C10 | C9 | H9 | 177.4° | 180.0° |
| C6 | C5 | C10 | C9 | 1.1° | 0.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 2.0° | 0.0° |
| C5 | C6 | C7 | O | 179.1° | 180.0° |
| C10 | C9 | C8 | H9 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 3.7° | 0.0° |
| C10 | C9 | C8 | O1 | 178.8° | 180.0° |
| C4 | N3 | C2 | C3 | 178.5° | 179.9° |
| C4 | N3 | C2 | C1 | 0.7° | 0.1° |
| N3 | C4 | N2 | C1 | 1.5° | 0.0° |
| N3 | C4 | N2 | C12 | 179.7° | 180.0° |
| C2 | N3 | C4 | N2 | 1.4° | 0.1° |
| N3 | C2 | C3 | N4 | 1.1° | 0.1° |
| N3 | C2 | C3 | C1 | 179.2° | 179.8° |
| N3 | C2 | C3 | N | 178.8° | 179.9° |
| N3 | C2 | C1 | N2 | 0.1° | 0.1° |
| N3 | C2 | C1 | N1 | 179.7° | 179.9° |
| C4 | N2 | C1 | C2 | 0.9° | 0.0° |
| C4 | N2 | C1 | C12 | 178.3° | 179.9° |
| C4 | N2 | C12 | C13 | 98.1° | 90.0° |
| C4 | N2 | C1 | N1 | 179.5° | 180.0° |
| C4 | N2 | C12 | H121 | 22.6° | 29.9° |
| C4 | N2 | C12 | H122 | 141.2° | 150.0° |
| C14 | C15 | C16 | H151 | 120.4° | 119.9° |
| C14 | C15 | C16 | H152 | 120.4° | 120.0° |
| C15 | C14 | C13 | H142 | 120.0° | 119.9° |
| C15 | C14 | C13 | H141 | 120.1° | 120.0° |
| C14 | C15 | C16 | N5 | 58.3° | 59.2° |
| C15 | C14 | C13 | C12 | 172.0° | 177.6° |
| C15 | C14 | C13 | C17 | 52.0° | 57.6° |
| C15 | C14 | C13 | H13 | 66.9° | 62.3° |
| C15 | C14 | H142 | H141 | 119.9° | 120.2° |
| C14 | C15 | H151 | H152 | 118.8° | 120.2° |
| C14 | C15 | C16 | H161 | 178.5° | 179.2° |
| C14 | C15 | C16 | H162 | 62.0° | 60.9° |
| C16 | C15 | C14 | C13 | 54.7° | 57.6° |
| C15 | C16 | N5 | H161 | 120.2° | 120.0° |
| C15 | C16 | N5 | H162 | 120.2° | 120.0° |
| C15 | C16 | N5 | C17 | 58.6° | 61.8° |
| C15 | C16 | N5 | C18 | 180.0° | 174.2° |
| C16 | C15 | C14 | H142 | 65.3° | 177.5° |
| C16 | C15 | C14 | H141 | 174.8° | 62.4° |
| C16 | C15 | H151 | H152 | 118.7° | 120.1° |
| C15 | C16 | H161 | H162 | 119.4° | 119.9° |
| C6 | C7 | C8 | C9 | 3.4° | 0.0° |
| C6 | C7 | C8 | O | 179.1° | 180.0° |
| C6 | C7 | C8 | O1 | 179.6° | 180.0° |
| C6 | C7 | O | C11 | 174.6° | 162.7° |
| C14 | C13 | C12 | N2 | 62.9° | 65.2° |
| C14 | C13 | C12 | C17 | 120.2° | 119.8° |
| C14 | C13 | C12 | H13 | 121.2° | 120.1° |
| C14 | C13 | C17 | H13 | 119.2° | 119.9° |
| C14 | C13 | C17 | N5 | 57.1° | 59.1° |
| C14 | C13 | C12 | H121 | 57.7° | 174.8° |
| C14 | C13 | C12 | H122 | 176.4° | 54.8° |
| C13 | C14 | H142 | H141 | 119.9° | 120.1° |
| C13 | C14 | C15 | H151 | 65.7° | 62.3° |
| C13 | C14 | C15 | H152 | 175.2° | 177.6° |
| C14 | C13 | C17 | H172 | 63.6° | 60.9° |
| C14 | C13 | C17 | H171 | 177.8° | 179.2° |
| C9 | C8 | C7 | O1 | 176.2° | 180.0° |
| C9 | C8 | C7 | O | 177.5° | 180.0° |
| C9 | C8 | O1 | C11 | 177.9° | 162.7° |
| N4 | C3 | C2 | N | 177.7° | 179.9° |
| N4 | C3 | C2 | C1 | 179.6° | 180.0° |
| N4 | C3 | N | C | 179.2° | 180.0° |
| C3 | N4 | HN41 | HN42 | 120.0° | 179.9° |
| C8 | C7 | O | C11 | 4.3° | 17.3° |
| C7 | C8 | O1 | C11 | 6.5° | 17.3° |
| C8 | C7 | C6 | H6 | 178.0° | 180.0° |
| C7 | C8 | C9 | H9 | 176.3° | 180.0° |
| O1 | C8 | C7 | O | 1.3° | 0.0° |
| C8 | O1 | C11 | O | 9.0° | 27.1° |
| O1 | C8 | C9 | H9 | 1.2° | 0.0° |
| C8 | O1 | C11 | H112 | 110.3° | 145.7° |
| C8 | O1 | C11 | H111 | 128.2° | 91.6° |
| C7 | O | C11 | O1 | 7.9° | 27.2° |
| O | C7 | C6 | H6 | 0.9° | 0.0° |
| C7 | O | C11 | H112 | 111.3° | 145.7° |
| C7 | O | C11 | H111 | 127.2° | 91.5° |
| C3 | C2 | C1 | N2 | 179.5° | 179.9° |
| C3 | C2 | C1 | N1 | 0.8° | 0.1° |
| C2 | C3 | N | C | 1.6° | 0.1° |
| C2 | C3 | N4 | HN41 | 177.5° | 179.9° |
| C2 | C3 | N4 | HN42 | 57.5° | 0.0° |
| C1 | C2 | C3 | N | 2.0° | 0.1° |
| C2 | C1 | N2 | N1 | 179.6° | 180.0° |
| C2 | C1 | N2 | C12 | 179.2° | 179.9° |
| C2 | C1 | N1 | C | 0.7° | 0.0° |
| C16 | N5 | C17 | C13 | 59.8° | 61.8° |
| C16 | N5 | C17 | C18 | 120.4° | 124.0° |
| C16 | N5 | C18 | C19 | 173.2° | 66.1° |
| N5 | C16 | C15 | H151 | 62.2° | 60.8° |
| N5 | C16 | C15 | H152 | 178.7° | 179.2° |
| C16 | N5 | C17 | H172 | 60.9° | 58.2° |
| C16 | N5 | C17 | H171 | 179.5° | 178.2° |
| C16 | N5 | C18 | H182 | 52.8° | 173.9° |
| C16 | N5 | C18 | H181 | 66.5° | 53.9° |
| N5 | C16 | H161 | H162 | 119.4° | 120.0° |
| C3 | N | C | N1 | 0.0° | 0.0° |
| C3 | N | C | H | 180.0° | 180.0° |
| N | C3 | N4 | HN41 | 0.0° | 0.0° |
| N | C3 | N4 | HN42 | 120.0° | 180.0° |
| C1 | N2 | C12 | C13 | 79.7° | 90.1° |
| N2 | C1 | N1 | C | 178.8° | 180.0° |
| C1 | N2 | C12 | H121 | 159.6° | 150.0° |
| C1 | N2 | C12 | H122 | 40.9° | 29.9° |
| N2 | C12 | C13 | H121 | 120.7° | 120.0° |
| N2 | C12 | C13 | H122 | 120.7° | 120.0° |
| N2 | C12 | C13 | C17 | 176.9° | 175.0° |
| C12 | N2 | C1 | N1 | 1.2° | 0.1° |
| N2 | C12 | H121 | H122 | 117.9° | 120.1° |
| N2 | C12 | C13 | H13 | 58.3° | 54.9° |
| O | C11 | O1 | H112 | 119.2° | 118.5° |
| O | C11 | O1 | H111 | 119.2° | 118.7° |
| O | C11 | H112 | H111 | 122.2° | 122.9° |
| O1 | C11 | H112 | H111 | 122.2° | 122.8° |
| C12 | C13 | C17 | H13 | 118.7° | 120.1° |
| C12 | C13 | C17 | N5 | 179.2° | 179.1° |
| C13 | C12 | H121 | H122 | 118.0° | 120.0° |
| C12 | C13 | C14 | H142 | 51.9° | 62.5° |
| C12 | C13 | C14 | H141 | 68.0° | 57.6° |
| C12 | C13 | C17 | H172 | 58.5° | 59.1° |
| C12 | C13 | C17 | H171 | 60.1° | 60.9° |
| C13 | C17 | N5 | H172 | 120.7° | 120.0° |
| C13 | C17 | N5 | H171 | 120.7° | 120.0° |
| C13 | C17 | N5 | C18 | 179.8° | 174.2° |
| C17 | C13 | C12 | H121 | 62.5° | 55.0° |
| C17 | C13 | C12 | H122 | 56.2° | 65.0° |
| C17 | C13 | C14 | H142 | 68.0° | 177.6° |
| C17 | C13 | C14 | H141 | 172.1° | 62.4° |
| C13 | C17 | H172 | H171 | 117.8° | 119.9° |
| C1 | N1 | C | N | 1.2° | 0.0° |
| C1 | N1 | C | H | 178.8° | 180.0° |
| N | C | N1 | H | 180.0° | 180.0° |
| C17 | N5 | C18 | C19 | 66.9° | 169.7° |
| N5 | C17 | C13 | H13 | 62.1° | 60.8° |
| N5 | C17 | H172 | H171 | 117.9° | 120.1° |
| C17 | N5 | C18 | H182 | 172.7° | 49.7° |
| C17 | N5 | C18 | H181 | 53.4° | 70.3° |
| C17 | N5 | C16 | H161 | 178.8° | 178.2° |
| C17 | N5 | C16 | H162 | 61.6° | 58.2° |
| N5 | C18 | C19 | H182 | 120.3° | 120.0° |
| N5 | C18 | C19 | H181 | 120.3° | 120.0° |
| N5 | C18 | C19 | C20 | 104.9° | 90.0° |
| N5 | C18 | C19 | C24 | 72.0° | 90.2° |
| C18 | N5 | C17 | H172 | 59.5° | 65.9° |
| C18 | N5 | C17 | H171 | 59.1° | 54.2° |
| N5 | C18 | H182 | H181 | 118.9° | 120.0° |
| C18 | N5 | C16 | H161 | 59.8° | 54.2° |
| C18 | N5 | C16 | H162 | 59.8° | 65.8° |
| C18 | C19 | C20 | C24 | 177.1° | 179.8° |
| C18 | C19 | C20 | C21 | 178.6° | 180.0° |
| C18 | C19 | C24 | C23 | 178.6° | 180.0° |
| C19 | C18 | H182 | H181 | 118.9° | 120.0° |
| C18 | C19 | C20 | H20 | 1.4° | 0.0° |
| C18 | C19 | C24 | H24 | 1.4° | 0.0° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C20 | C19 | C24 | C23 | 1.6° | 0.2° |
| C19 | C20 | C21 | C22 | 0.7° | 0.0° |
| C20 | C19 | C18 | H182 | 134.7° | 150.0° |
| C20 | C19 | C18 | H181 | 15.4° | 30.0° |
| C19 | C20 | C21 | H21 | 179.3° | 180.0° |
| C20 | C19 | C24 | H24 | 178.4° | 179.8° |
| C24 | C19 | C20 | C21 | 1.5° | 0.2° |
| C19 | C24 | C23 | H24 | 180.0° | 180.0° |
| C19 | C24 | C23 | C22 | 0.8° | 0.0° |
| C19 | C24 | C23 | S1 | 179.3° | 179.8° |
| C24 | C19 | C18 | H182 | 48.3° | 29.8° |
| C24 | C19 | C18 | H181 | 167.6° | 149.7° |
| C24 | C19 | C20 | H20 | 178.5° | 179.7° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.1° | 0.3° |
| C20 | C21 | C22 | H22 | 179.9° | 180.0° |
| C24 | C23 | C22 | C21 | 0.1° | 0.3° |
| C24 | C23 | C22 | S1 | 179.9° | 179.7° |
| C24 | C23 | S1 | O2 | 14.6° | 90.2° |
| C24 | C23 | S1 | F | 97.2° | 156.2° |
| C24 | C23 | S1 | O3 | 152.8° | 42.7° |
| C24 | C23 | C22 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | H22 | 180.0° | 179.8° |
| C21 | C22 | C23 | S1 | 179.9° | 180.0° |
| C22 | C21 | C20 | H20 | 179.3° | 180.0° |
| C22 | C23 | S1 | O2 | 165.3° | 90.0° |
| C22 | C23 | S1 | F | 82.9° | 23.5° |
| C22 | C23 | S1 | O3 | 27.1° | 137.1° |
| C23 | C22 | C21 | H21 | 179.9° | 179.8° |
| C22 | C23 | C24 | H24 | 179.2° | 180.0° |
| C23 | S1 | O2 | F | 113.1° | 114.1° |
| C23 | S1 | O2 | O3 | 137.5° | 122.9° |
| C23 | S1 | F | O3 | 119.5° | 113.5° |
| S1 | C23 | C24 | H24 | 0.7° | 0.3° |
| S1 | C23 | C22 | H22 | 0.1° | 0.2° |
| O2 | S1 | F | O3 | 120.2° | 132.9° |
| H121 | C12 | C13 | H13 | 178.9° | 65.1° |
| H122 | C12 | C13 | H13 | 62.4° | 174.9° |
| H13 | C13 | C14 | H142 | 173.1° | 57.6° |
| H13 | C13 | C14 | H141 | 53.1° | 177.7° |
| H13 | C13 | C17 | H172 | 177.2° | 179.2° |
| H13 | C13 | C17 | H171 | 58.6° | 59.3° |
| H142 | C14 | C15 | H151 | 174.3° | 57.6° |
| H142 | C14 | C15 | H152 | 55.1° | 62.5° |
| H141 | C14 | C15 | H151 | 54.4° | 177.7° |
| H141 | C14 | C15 | H152 | 64.8° | 57.6° |
| H151 | C15 | C16 | H161 | 58.0° | 59.3° |
| H151 | C15 | C16 | H162 | 177.6° | 179.2° |
| H152 | C15 | C16 | H161 | 61.1° | 60.8° |
| H152 | C15 | C16 | H162 | 58.5° | 59.2° |
| H20 | C20 | C21 | H21 | 0.7° | 0.1° |
| H21 | C21 | C22 | H22 | 0.1° | 0.0° |
