R9R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | doub | 1.36Å | 1.37Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.42Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.40Å | 1.42Å | Aromatic |
| C8 | N2 | sing | 1.31Å | 1.33Å | Aromatic |
| C9 | C14 | sing | 1.42Å | 1.42Å | Aromatic |
| C12 | C13 | doub | 1.36Å | 1.37Å | Aromatic |
| N2 | C7 | doub | 1.33Å | 1.34Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.42Å | Aromatic |
| C14 | C6 | doub | 1.41Å | 1.43Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | N1 | sing | 1.40Å | 1.42Å | |
| N1 | C5 | sing | 1.35Å | 1.36Å | |
| O1 | S | doub | 1.42Å | 1.43Å | |
| C5 | C4 | sing | 1.51Å | 1.53Å | |
| C5 | O2 | doub | 1.21Å | 1.23Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | N | sing | 1.47Å | 1.47Å | |
| C4 | C15 | sing | 1.51Å | 1.52Å | |
| C | C1 | sing | 1.53Å | 1.53Å | |
| S | C2 | sing | 1.81Å | 1.79Å | |
| S | N | sing | 1.66Å | 1.62Å | |
| S | O | doub | 1.42Å | 1.43Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| N | C21 | sing | 1.47Å | 1.47Å | |
| C1 | C22 | sing | 1.56Å | 1.55Å | |
| C1 | C23 | sing | 1.56Å | 1.54Å | |
| C15 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | S1 | sing | 1.83Å | 1.79Å | |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.51Å | |
| C20 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| O4 | S1 | doub | 1.42Å | 1.44Å | |
| C23 | S1 | sing | 1.83Å | 1.79Å | |
| C17 | CL | sing | 1.74Å | 1.74Å | |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| S1 | O3 | doub | 1.42Å | 1.44Å | |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H20 | sing | 1.08Å | 1.08Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.08Å | 1.08Å | |
| C11 | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C9 | 120.6° | 119.5° |
| C10 | C11 | C12 | 120.6° | 121.0° |
| C11 | C10 | H5 | 119.7° | 120.2° |
| C10 | C11 | H24 | 119.7° | 119.4° |
| C10 | C9 | C8 | 123.1° | 122.0° |
| C10 | C9 | C14 | 119.1° | 119.3° |
| C9 | C10 | H5 | 119.7° | 120.3° |
| C11 | C12 | C13 | 120.7° | 121.0° |
| C11 | C12 | H23 | 119.7° | 119.5° |
| C12 | C11 | H24 | 119.7° | 119.5° |
| C9 | C8 | N2 | 124.1° | 120.2° |
| C8 | C9 | C14 | 117.8° | 118.7° |
| C9 | C8 | H4 | 117.9° | 119.9° |
| C8 | N2 | C7 | 117.6° | 122.8° |
| N2 | C8 | H4 | 117.9° | 119.9° |
| C9 | C14 | C13 | 118.0° | 119.5° |
| C9 | C14 | C6 | 118.2° | 118.2° |
| C12 | C13 | C14 | 121.0° | 119.5° |
| C12 | C13 | H6 | 119.5° | 120.3° |
| C13 | C12 | H23 | 119.7° | 119.5° |
| N2 | C7 | C6 | 125.3° | 121.6° |
| N2 | C7 | H3 | 117.3° | 119.2° |
| C13 | C14 | C6 | 123.8° | 122.2° |
| C14 | C13 | H6 | 119.5° | 120.2° |
| C14 | C6 | C7 | 116.9° | 118.4° |
| C14 | C6 | N1 | 119.3° | 120.8° |
| C7 | C6 | N1 | 123.6° | 120.8° |
| C6 | C7 | H3 | 117.4° | 119.2° |
| C6 | N1 | C5 | 127.7° | 120.0° |
| C6 | N1 | H1 | 116.2° | 120.0° |
| N1 | C5 | C4 | 114.7° | 120.0° |
| N1 | C5 | O2 | 123.2° | 120.0° |
| C5 | N1 | H1 | 116.1° | 120.0° |
| O1 | S | C2 | 108.7° | 110.6° |
| O1 | S | N | 107.0° | 104.3° |
| O1 | S | O | 119.1° | 121.0° |
| C4 | C5 | O2 | 122.1° | 120.0° |
| C5 | C4 | C3 | 109.4° | 109.1° |
| C5 | C4 | C15 | 108.1° | 109.2° |
| C5 | C4 | H2 | 109.5° | 109.2° |
| C4 | C3 | N | 105.9° | 107.9° |
| C3 | C4 | C15 | 110.5° | 110.9° |
| C3 | C4 | H2 | 109.6° | 109.2° |
| C4 | C3 | H21 | 110.4° | 109.8° |
| C4 | C3 | H22 | 110.4° | 109.8° |
| C3 | N | S | 122.6° | 121.4° |
| C3 | N | C21 | 115.0° | 117.3° |
| N | C3 | H21 | 110.4° | 109.7° |
| N | C3 | H22 | 110.4° | 109.8° |
| C4 | C15 | C16 | 120.3° | 117.6° |
| C4 | C15 | C20 | 120.2° | 122.8° |
| C15 | C4 | H2 | 109.7° | 109.2° |
| C | C1 | C2 | 112.0° | 110.4° |
| C | C1 | C22 | 111.1° | 110.8° |
| C | C1 | C23 | 112.7° | 110.8° |
| C1 | C | H13 | 109.5° | 109.4° |
| C1 | C | H14 | 109.5° | 109.5° |
| C1 | C | H15 | 109.5° | 109.5° |
| C2 | S | N | 105.5° | 104.4° |
| C2 | S | O | 108.6° | 110.5° |
| S | C2 | C1 | 117.6° | 109.5° |
| S | C2 | H16 | 107.4° | 109.5° |
| S | C2 | H17 | 107.4° | 109.5° |
| N | S | O | 107.1° | 104.3° |
| S | N | C21 | 118.8° | 121.3° |
| C2 | C1 | C22 | 111.3° | 110.8° |
| C2 | C1 | C23 | 115.5° | 110.8° |
| C1 | C2 | H16 | 107.4° | 109.5° |
| C1 | C2 | H17 | 107.4° | 109.5° |
| N | C21 | C20 | 110.0° | 109.7° |
| N | C21 | H7 | 109.3° | 109.4° |
| N | C21 | H8 | 109.3° | 109.4° |
| C22 | C1 | C23 | 92.8° | 102.9° |
| C1 | C22 | S1 | 92.4° | 82.4° |
| C1 | C22 | H9 | 113.5° | 114.4° |
| C1 | C22 | H10 | 113.6° | 114.4° |
| C1 | C23 | S1 | 92.6° | 82.4° |
| C1 | C23 | H11 | 113.5° | 114.4° |
| C1 | C23 | H12 | 113.5° | 114.4° |
| C16 | C15 | C20 | 119.4° | 119.6° |
| C15 | C16 | C17 | 119.6° | 120.6° |
| C15 | C16 | H20 | 120.2° | 119.7° |
| C15 | C20 | C21 | 122.2° | 122.4° |
| C15 | C20 | C19 | 119.1° | 119.8° |
| C22 | S1 | O4 | 111.8° | 111.3° |
| C22 | S1 | C23 | 77.6° | 83.5° |
| C22 | S1 | O3 | 114.0° | 111.4° |
| S1 | C22 | H9 | 113.6° | 114.4° |
| S1 | C22 | H10 | 113.6° | 114.3° |
| C16 | C17 | CL | 119.2° | 120.2° |
| C16 | C17 | C18 | 121.6° | 119.8° |
| C17 | C16 | H20 | 120.2° | 119.7° |
| C21 | C20 | C19 | 118.7° | 117.8° |
| C20 | C21 | H7 | 109.4° | 109.4° |
| C20 | C21 | H8 | 109.3° | 109.4° |
| C20 | C19 | C18 | 121.2° | 120.5° |
| C20 | C19 | H18 | 119.4° | 119.7° |
| O4 | S1 | C23 | 115.1° | 111.4° |
| O4 | S1 | O3 | 118.6° | 121.4° |
| C23 | S1 | O3 | 112.9° | 111.5° |
| S1 | C23 | H11 | 113.5° | 114.4° |
| S1 | C23 | H12 | 113.5° | 114.4° |
| CL | C17 | C18 | 119.2° | 120.1° |
| C17 | C18 | C19 | 119.0° | 119.7° |
| C17 | C18 | H19 | 120.5° | 120.2° |
| C18 | C19 | H18 | 119.4° | 119.8° |
| C19 | C18 | H19 | 120.5° | 120.1° |
| H7 | C21 | H8 | 109.5° | 109.5° |
| H9 | C22 | H10 | 109.5° | 113.5° |
| H11 | C23 | H12 | 109.4° | 113.4° |
| H13 | C | H14 | 109.5° | 109.4° |
| H13 | C | H15 | 109.5° | 109.5° |
| H14 | C | H15 | 109.5° | 109.5° |
| H16 | C2 | H17 | 109.5° | 109.5° |
| H21 | C3 | H22 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C9 | H5 | 180.0° | 179.9° |
| C10 | C11 | C12 | H24 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 177.9° | 180.0° |
| C11 | C10 | C9 | C14 | 1.8° | 0.3° |
| C10 | C11 | C12 | C13 | 0.9° | 0.3° |
| C10 | C11 | C12 | H23 | 179.1° | 180.0° |
| C9 | C10 | C11 | C12 | 0.4° | 0.0° |
| C10 | C9 | C8 | C14 | 179.7° | 179.7° |
| C10 | C9 | C8 | N2 | 179.5° | 180.0° |
| C10 | C9 | C14 | C13 | 1.9° | 0.3° |
| C10 | C9 | C14 | C6 | 177.7° | 179.8° |
| C10 | C9 | C8 | H4 | 0.5° | 0.0° |
| C9 | C10 | C11 | H24 | 179.6° | 180.0° |
| C11 | C12 | C13 | H23 | 180.0° | 179.7° |
| C11 | C12 | C13 | C14 | 0.8° | 0.3° |
| C12 | C11 | C10 | H5 | 179.6° | 179.9° |
| C11 | C12 | C13 | H6 | 179.2° | 179.7° |
| C9 | C8 | N2 | H4 | 180.0° | 180.0° |
| C9 | C8 | N2 | C7 | 0.8° | 0.2° |
| C8 | C9 | C14 | C13 | 177.9° | 180.0° |
| C8 | C9 | C14 | C6 | 2.5° | 0.0° |
| C8 | C9 | C10 | H5 | 2.1° | 0.1° |
| N2 | C8 | C9 | C14 | 0.8° | 0.2° |
| C8 | N2 | C7 | C6 | 0.7° | 0.0° |
| C8 | N2 | C7 | H3 | 179.4° | 180.0° |
| C9 | C14 | C13 | C12 | 0.6° | 0.0° |
| C9 | C14 | C13 | C6 | 179.6° | 179.9° |
| C9 | C14 | C6 | C7 | 2.7° | 0.2° |
| C9 | C14 | C6 | N1 | 172.6° | 180.0° |
| C14 | C9 | C8 | H4 | 179.2° | 179.8° |
| C14 | C9 | C10 | H5 | 178.2° | 179.8° |
| C9 | C14 | C13 | H6 | 179.4° | 180.0° |
| C12 | C13 | C14 | H6 | 180.0° | 180.0° |
| C12 | C13 | C14 | C6 | 179.0° | 179.9° |
| C13 | C12 | C11 | H24 | 179.1° | 179.7° |
| N2 | C7 | C6 | C14 | 1.1° | 0.3° |
| N2 | C7 | C6 | H3 | 180.0° | 180.0° |
| N2 | C7 | C6 | N1 | 173.9° | 180.0° |
| C7 | N2 | C8 | H4 | 179.2° | 179.8° |
| C13 | C14 | C6 | C7 | 177.8° | 179.7° |
| C13 | C14 | C6 | N1 | 7.0° | 0.0° |
| C14 | C13 | C12 | H23 | 179.2° | 180.0° |
| C14 | C6 | C7 | N1 | 175.0° | 179.8° |
| C14 | C6 | N1 | C5 | 101.8° | 162.3° |
| C14 | C6 | N1 | H1 | 78.2° | 17.5° |
| C14 | C6 | C7 | H3 | 178.9° | 179.8° |
| C6 | C14 | C13 | H6 | 1.0° | 0.0° |
| C7 | C6 | N1 | C5 | 73.1° | 17.4° |
| C7 | C6 | N1 | H1 | 106.9° | 162.7° |
| C6 | N1 | C5 | H1 | 180.0° | 179.8° |
| C6 | N1 | C5 | C4 | 177.7° | 174.2° |
| C6 | N1 | C5 | O2 | 2.6° | 5.9° |
| N1 | C6 | C7 | H3 | 6.1° | 0.0° |
| N1 | C5 | C4 | O2 | 179.7° | 179.9° |
| N1 | C5 | C4 | C3 | 80.3° | 92.0° |
| N1 | C5 | C4 | C15 | 159.3° | 146.6° |
| N1 | C5 | C4 | H2 | 39.8° | 27.2° |
| O1 | S | N | C3 | 8.2° | 144.4° |
| O1 | S | C2 | N | 114.5° | 111.7° |
| O1 | S | C2 | O | 131.0° | 136.8° |
| O1 | S | N | O | 128.8° | 127.9° |
| O1 | S | C2 | C1 | 84.1° | 78.7° |
| O1 | S | N | C21 | 149.1° | 35.6° |
| O1 | S | C2 | H16 | 154.7° | 41.3° |
| O1 | S | C2 | H17 | 37.1° | 161.3° |
| C5 | C4 | C3 | C15 | 118.9° | 120.3° |
| C5 | C4 | C3 | H2 | 120.1° | 119.3° |
| C5 | C4 | C3 | N | 64.4° | 72.8° |
| C5 | C4 | C15 | H2 | 119.4° | 119.4° |
| C5 | C4 | C15 | C16 | 83.5° | 79.8° |
| C5 | C4 | C15 | C20 | 93.4° | 100.2° |
| C4 | C5 | N1 | H1 | 2.3° | 6.0° |
| C5 | C4 | C3 | H21 | 55.1° | 46.7° |
| C5 | C4 | C3 | H22 | 176.2° | 167.5° |
| O2 | C5 | C4 | C3 | 99.5° | 88.1° |
| O2 | C5 | C4 | C15 | 20.9° | 33.3° |
| O2 | C5 | N1 | H1 | 177.4° | 173.9° |
| O2 | C5 | C4 | H2 | 140.4° | 152.6° |
| C4 | C3 | N | H21 | 119.4° | 119.6° |
| C4 | C3 | N | H22 | 119.4° | 119.7° |
| C3 | C4 | C15 | H2 | 121.0° | 120.4° |
| C4 | C3 | N | S | 132.3° | 115.8° |
| C4 | C3 | N | C21 | 69.6° | 64.3° |
| C3 | C4 | C15 | C16 | 156.9° | 160.0° |
| C3 | C4 | C15 | C20 | 26.3° | 20.1° |
| C4 | C3 | H21 | H22 | 121.7° | 120.8° |
| N | C3 | C4 | C15 | 54.5° | 47.5° |
| C3 | N | S | C2 | 107.5° | 99.5° |
| C3 | N | S | C21 | 157.3° | 180.0° |
| C3 | N | S | O | 136.9° | 16.6° |
| C3 | N | C21 | C20 | 47.7° | 44.4° |
| N | C3 | C4 | H2 | 175.6° | 167.9° |
| C3 | N | C21 | H7 | 167.8° | 75.6° |
| C3 | N | C21 | H8 | 72.4° | 164.5° |
| N | C3 | H21 | H22 | 121.7° | 120.7° |
| C4 | C15 | C16 | C20 | 176.9° | 179.9° |
| C4 | C15 | C16 | C17 | 174.1° | 179.5° |
| C4 | C15 | C20 | C21 | 5.5° | 1.4° |
| C4 | C15 | C20 | C19 | 174.4° | 179.3° |
| C4 | C15 | C16 | H20 | 5.9° | 0.4° |
| C15 | C4 | C3 | H21 | 174.0° | 167.0° |
| C15 | C4 | C3 | H22 | 64.9° | 72.2° |
| C | C1 | C2 | S | 65.0° | 56.8° |
| C | C1 | C2 | C22 | 125.0° | 123.2° |
| C | C1 | C2 | C23 | 130.9° | 123.2° |
| C | C1 | C22 | C23 | 115.7° | 118.5° |
| C | C1 | C22 | S1 | 98.3° | 94.3° |
| C | C1 | C23 | S1 | 96.8° | 94.3° |
| C | C1 | C22 | H9 | 144.7° | 19.1° |
| C | C1 | C22 | H10 | 18.8° | 152.3° |
| C | C1 | C23 | H11 | 20.3° | 152.3° |
| C | C1 | C23 | H12 | 146.1° | 19.1° |
| C1 | C | H13 | H14 | 120.0° | 120.0° |
| C1 | C | H13 | H15 | 120.0° | 120.0° |
| C1 | C | H14 | H15 | 120.0° | 120.1° |
| C | C1 | C2 | H16 | 173.9° | 63.2° |
| C | C1 | C2 | H17 | 56.2° | 176.8° |
| C2 | S | N | O | 115.6° | 116.0° |
| S | C2 | C1 | H16 | 121.2° | 120.0° |
| S | C2 | C1 | H17 | 121.2° | 120.0° |
| C2 | S | N | C21 | 95.2° | 80.5° |
| S | C2 | C1 | C22 | 170.0° | 180.0° |
| S | C2 | C1 | C23 | 65.9° | 66.4° |
| S | C2 | H16 | H17 | 116.3° | 120.0° |
| N | S | C2 | C1 | 161.4° | 169.7° |
| S | N | C21 | C20 | 153.3° | 135.6° |
| S | N | C21 | H7 | 33.2° | 104.4° |
| S | N | C21 | H8 | 86.6° | 15.6° |
| N | S | C2 | H16 | 40.3° | 70.4° |
| N | S | C2 | H17 | 77.4° | 49.6° |
| S | N | C3 | H21 | 12.9° | 3.8° |
| S | N | C3 | H22 | 108.3° | 124.6° |
| O | S | C2 | C1 | 46.9° | 58.1° |
| O | S | N | C21 | 20.4° | 163.5° |
| O | S | C2 | H16 | 74.3° | 178.0° |
| O | S | C2 | H17 | 168.0° | 61.9° |
| C2 | C1 | C22 | C23 | 118.8° | 118.5° |
| C2 | C1 | C22 | S1 | 136.2° | 142.7° |
| C2 | C1 | C23 | S1 | 132.6° | 142.7° |
| C2 | C1 | C22 | H9 | 19.2° | 103.9° |
| C2 | C1 | C22 | H10 | 106.8° | 29.4° |
| C2 | C1 | C23 | H11 | 110.3° | 29.3° |
| C2 | C1 | C23 | H12 | 15.6° | 103.9° |
| C2 | C1 | C | H13 | 180.0° | 63.2° |
| C2 | C1 | C | H14 | 60.0° | 56.8° |
| C2 | C1 | C | H15 | 60.0° | 176.8° |
| C1 | C2 | H16 | H17 | 116.3° | 120.0° |
| N | C21 | C20 | C15 | 14.3° | 11.6° |
| N | C21 | C20 | H7 | 120.1° | 120.0° |
| N | C21 | C20 | H8 | 120.1° | 120.0° |
| N | C21 | C20 | C19 | 165.7° | 169.1° |
| N | C21 | H7 | H8 | 119.7° | 119.9° |
| C21 | N | C3 | H21 | 171.0° | 176.1° |
| C21 | N | C3 | H22 | 49.8° | 55.4° |
| C1 | C22 | S1 | H9 | 117.0° | 113.4° |
| C1 | C22 | S1 | H10 | 117.0° | 113.4° |
| C1 | C22 | S1 | O4 | 97.0° | 90.4° |
| C22 | C1 | C23 | S1 | 17.4° | 24.2° |
| C1 | C22 | S1 | O3 | 125.1° | 130.6° |
| C1 | C22 | H9 | H10 | 128.1° | 133.6° |
| C22 | C1 | C23 | H11 | 134.5° | 89.2° |
| C22 | C1 | C23 | H12 | 99.7° | 137.6° |
| C22 | C1 | C | H13 | 54.8° | 60.0° |
| C22 | C1 | C | H14 | 65.2° | 180.0° |
| C22 | C1 | C | H15 | 174.8° | 60.0° |
| C22 | C1 | C2 | H16 | 48.9° | 60.0° |
| C22 | C1 | C2 | H17 | 68.8° | 60.0° |
| C1 | C23 | S1 | O4 | 93.1° | 90.4° |
| C1 | C23 | S1 | H11 | 117.1° | 113.4° |
| C1 | C23 | S1 | H12 | 117.1° | 113.4° |
| C1 | C23 | S1 | O3 | 126.4° | 130.5° |
| C23 | C1 | C22 | H9 | 99.6° | 137.6° |
| C23 | C1 | C22 | H10 | 134.4° | 89.2° |
| C1 | C23 | H11 | H12 | 128.0° | 133.7° |
| C23 | C1 | C | H13 | 47.7° | 173.6° |
| C23 | C1 | C | H14 | 167.7° | 66.4° |
| C23 | C1 | C | H15 | 72.3° | 53.7° |
| C23 | C1 | C2 | H16 | 55.2° | 173.6° |
| C23 | C1 | C2 | H17 | 172.9° | 53.6° |
| C15 | C16 | C17 | H20 | 180.0° | 179.9° |
| C16 | C15 | C20 | C21 | 177.6° | 178.7° |
| C16 | C15 | C20 | C19 | 2.4° | 0.6° |
| C15 | C16 | C17 | CL | 178.8° | 180.0° |
| C15 | C16 | C17 | C18 | 0.6° | 0.0° |
| C16 | C15 | C4 | H2 | 35.9° | 39.6° |
| C20 | C15 | C16 | C17 | 2.7° | 0.4° |
| C15 | C20 | C21 | C19 | 179.9° | 179.3° |
| C15 | C20 | C19 | C18 | 0.1° | 0.4° |
| C20 | C15 | C4 | H2 | 147.3° | 140.5° |
| C15 | C20 | C21 | H7 | 134.3° | 108.5° |
| C15 | C20 | C21 | H8 | 105.9° | 131.6° |
| C15 | C20 | C19 | H18 | 179.9° | 179.5° |
| C20 | C15 | C16 | H20 | 177.3° | 179.7° |
| C22 | S1 | O4 | C23 | 86.1° | 91.3° |
| C22 | S1 | O4 | O3 | 135.8° | 134.2° |
| C22 | S1 | C23 | O3 | 111.0° | 110.5° |
| S1 | C22 | H9 | H10 | 128.1° | 133.7° |
| C22 | S1 | C23 | H11 | 132.4° | 93.4° |
| C22 | S1 | C23 | H12 | 101.7° | 133.4° |
| C16 | C17 | CL | C18 | 179.5° | 180.0° |
| C16 | C17 | C18 | C19 | 1.7° | 0.2° |
| C16 | C17 | C18 | H19 | 178.3° | 179.8° |
| C21 | C20 | C19 | C18 | 180.0° | 178.9° |
| C20 | C21 | H7 | H8 | 119.7° | 119.9° |
| C21 | C20 | C19 | H18 | 0.0° | 1.2° |
| C20 | C19 | C18 | C17 | 2.0° | 0.0° |
| C20 | C19 | C18 | H18 | 180.0° | 179.9° |
| C19 | C20 | C21 | H7 | 45.6° | 70.8° |
| C19 | C20 | C21 | H8 | 74.2° | 49.1° |
| C20 | C19 | C18 | H19 | 178.0° | 180.0° |
| O4 | S1 | C23 | O3 | 140.5° | 139.1° |
| O4 | S1 | C22 | H9 | 146.0° | 23.0° |
| O4 | S1 | C22 | H10 | 20.0° | 156.2° |
| O4 | S1 | C23 | H11 | 24.0° | 156.2° |
| O4 | S1 | C23 | H12 | 149.8° | 23.0° |
| C23 | S1 | C22 | H9 | 101.7° | 133.4° |
| C23 | S1 | C22 | H10 | 132.4° | 93.3° |
| S1 | C23 | H11 | H12 | 128.0° | 133.6° |
| CL | C17 | C18 | C19 | 178.8° | 179.8° |
| CL | C17 | C18 | H19 | 1.2° | 0.2° |
| CL | C17 | C16 | H20 | 1.2° | 0.1° |
| C17 | C18 | C19 | H19 | 180.0° | 180.0° |
| C17 | C18 | C19 | H18 | 178.0° | 179.9° |
| C18 | C17 | C16 | H20 | 179.4° | 179.9° |
| O3 | S1 | C22 | H9 | 8.0° | 116.0° |
| O3 | S1 | C22 | H10 | 117.9° | 17.2° |
| O3 | S1 | C23 | H11 | 116.5° | 17.1° |
| O3 | S1 | C23 | H12 | 9.3° | 116.1° |
| H2 | C4 | C3 | H21 | 65.0° | 72.6° |
| H2 | C4 | C3 | H22 | 56.1° | 48.2° |
| H5 | C10 | C11 | H24 | 0.4° | 0.1° |
| H6 | C13 | C12 | H23 | 0.8° | 0.0° |
| H13 | C | H14 | H15 | 120.0° | 120.0° |
| H18 | C19 | C18 | H19 | 2.0° | 0.1° |
| H23 | C12 | C11 | H24 | 0.9° | 0.0° |
