RRU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | doub | 1.36Å | 1.36Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.42Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.40Å | 1.42Å | Aromatic |
| C12 | N2 | sing | 1.31Å | 1.32Å | Aromatic |
| C13 | C18 | sing | 1.42Å | 1.43Å | Aromatic |
| N2 | C11 | doub | 1.33Å | 1.34Å | Aromatic |
| C16 | C17 | doub | 1.36Å | 1.37Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.42Å | Aromatic |
| C18 | C10 | doub | 1.41Å | 1.43Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | N1 | sing | 1.47Å | 1.47Å | |
| C8 | C7 | sing | 1.55Å | 1.53Å | |
| C10 | N1 | sing | 1.40Å | 1.43Å | |
| N1 | C9 | sing | 1.35Å | 1.36Å | |
| C7 | C6 | sing | 1.54Å | 1.54Å | |
| C9 | C6 | sing | 1.51Å | 1.53Å | |
| C9 | O | doub | 1.21Å | 1.22Å | |
| C6 | C5 | sing | 1.52Å | 1.55Å | |
| C6 | C19 | sing | 1.50Å | 1.53Å | |
| C5 | N | sing | 1.47Å | 1.47Å | |
| C24 | C23 | sing | 1.53Å | 1.48Å | |
| C24 | C22 | sing | 1.53Å | 1.51Å | |
| O2 | S | doub | 1.42Å | 1.43Å | |
| C23 | C22 | sing | 1.53Å | 1.51Å | |
| C20 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | S | sing | 1.81Å | 1.78Å | |
| N | S | sing | 1.66Å | 1.63Å | |
| N | C4 | sing | 1.47Å | 1.47Å | |
| C22 | C25 | sing | 1.47Å | 1.47Å | |
| S | O1 | doub | 1.42Å | 1.43Å | |
| CL | C | sing | 1.74Å | 1.74Å | |
| C | C1 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | N3 | trip | 1.14Å | 1.14Å | |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H18 | sing | 1.08Å | 1.08Å | |
| C1 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H20 | sing | 1.08Å | 1.08Å | |
| C14 | H21 | sing | 1.08Å | 1.08Å | |
| C12 | H22 | sing | 1.08Å | 1.08Å | |
| C11 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | C13 | 120.6° | 119.5° |
| C14 | C15 | C16 | 120.6° | 121.1° |
| C14 | C15 | H9 | 119.7° | 119.5° |
| C15 | C14 | H21 | 119.7° | 120.2° |
| C14 | C13 | C12 | 123.1° | 121.9° |
| C14 | C13 | C18 | 119.1° | 119.3° |
| C13 | C14 | H21 | 119.7° | 120.2° |
| C15 | C16 | C17 | 120.7° | 121.0° |
| C16 | C15 | H9 | 119.7° | 119.4° |
| C15 | C16 | H20 | 119.7° | 119.5° |
| C13 | C12 | N2 | 124.2° | 120.2° |
| C12 | C13 | C18 | 117.8° | 118.7° |
| C13 | C12 | H22 | 117.9° | 119.9° |
| C12 | N2 | C11 | 117.3° | 122.9° |
| N2 | C12 | H22 | 117.9° | 119.9° |
| C13 | C18 | C17 | 118.0° | 119.6° |
| C13 | C18 | C10 | 117.9° | 118.2° |
| N2 | C11 | C10 | 125.5° | 121.6° |
| N2 | C11 | H23 | 117.3° | 119.2° |
| C16 | C17 | C18 | 121.0° | 119.5° |
| C16 | C17 | H10 | 119.5° | 120.2° |
| C17 | C16 | H20 | 119.6° | 119.5° |
| C17 | C18 | C10 | 124.1° | 122.2° |
| C18 | C17 | H10 | 119.5° | 120.3° |
| C18 | C10 | C11 | 117.2° | 118.5° |
| C18 | C10 | N1 | 122.7° | 120.8° |
| C11 | C10 | N1 | 120.0° | 120.8° |
| C10 | C11 | H23 | 117.2° | 119.2° |
| N1 | C8 | C7 | 103.6° | 105.5° |
| C8 | N1 | C10 | 121.9° | 124.3° |
| C8 | N1 | C9 | 112.5° | 111.3° |
| N1 | C8 | H7 | 110.9° | 110.3° |
| N1 | C8 | H8 | 110.9° | 110.2° |
| C8 | C7 | C6 | 103.5° | 101.7° |
| C8 | C7 | H5 | 110.9° | 111.0° |
| C8 | C7 | H6 | 110.9° | 111.0° |
| C7 | C8 | H7 | 110.9° | 110.3° |
| C7 | C8 | H8 | 110.9° | 110.2° |
| C10 | N1 | C9 | 125.6° | 124.4° |
| N1 | C9 | C6 | 108.2° | 110.0° |
| N1 | C9 | O | 125.8° | 125.0° |
| C7 | C6 | C9 | 101.8° | 104.6° |
| C7 | C6 | C5 | 111.2° | 109.8° |
| C7 | C6 | C19 | 114.6° | 109.7° |
| C6 | C7 | H5 | 110.9° | 111.0° |
| C6 | C7 | H6 | 111.0° | 111.0° |
| C6 | C9 | O | 126.1° | 125.0° |
| C9 | C6 | C5 | 106.7° | 110.4° |
| C9 | C6 | C19 | 109.3° | 110.4° |
| C5 | C6 | C19 | 112.3° | 111.7° |
| C6 | C5 | N | 108.9° | 107.9° |
| C6 | C5 | H3 | 109.6° | 109.8° |
| C6 | C5 | H4 | 109.6° | 109.8° |
| C6 | C19 | C20 | 120.6° | 117.8° |
| C6 | C19 | C3 | 119.4° | 122.7° |
| C5 | N | S | 124.5° | 121.4° |
| C5 | N | C4 | 113.1° | 117.4° |
| N | C5 | H3 | 109.6° | 109.7° |
| N | C5 | H4 | 109.6° | 109.8° |
| C23 | C24 | C22 | 60.7° | 60.0° |
| C24 | C23 | C22 | 60.7° | 60.0° |
| C23 | C24 | H14 | 119.9° | 117.5° |
| C23 | C24 | H15 | 119.9° | 117.6° |
| C24 | C23 | H16 | 119.9° | 117.5° |
| C24 | C23 | H17 | 119.9° | 117.5° |
| C24 | C22 | C23 | 58.6° | 60.0° |
| C24 | C22 | C21 | 119.0° | 117.5° |
| C24 | C22 | C25 | 115.8° | 117.5° |
| C22 | C24 | H14 | 119.9° | 117.5° |
| C22 | C24 | H15 | 119.9° | 117.5° |
| O2 | S | C21 | 108.7° | 110.6° |
| O2 | S | N | 107.0° | 104.3° |
| O2 | S | O1 | 119.1° | 121.0° |
| C23 | C22 | C21 | 120.1° | 117.5° |
| C23 | C22 | C25 | 116.2° | 117.5° |
| C22 | C23 | H16 | 119.9° | 117.5° |
| C22 | C23 | H17 | 119.9° | 117.5° |
| C19 | C20 | C | 119.1° | 120.6° |
| C20 | C19 | C3 | 119.7° | 119.5° |
| C19 | C20 | H11 | 120.4° | 119.7° |
| C20 | C | CL | 119.0° | 120.1° |
| C20 | C | C1 | 121.8° | 119.9° |
| C | C20 | H11 | 120.4° | 119.8° |
| C19 | C3 | C4 | 121.9° | 122.2° |
| C19 | C3 | C2 | 119.1° | 119.9° |
| C22 | C21 | S | 120.5° | 109.5° |
| C21 | C22 | C25 | 115.4° | 115.6° |
| C22 | C21 | H12 | 106.6° | 109.4° |
| C22 | C21 | H13 | 106.7° | 109.4° |
| C21 | S | N | 105.7° | 104.5° |
| C21 | S | O1 | 108.3° | 110.6° |
| S | C21 | H12 | 106.7° | 109.5° |
| S | C21 | H13 | 106.7° | 109.5° |
| S | N | C4 | 120.7° | 121.3° |
| N | S | O1 | 107.3° | 104.3° |
| N | C4 | C3 | 110.3° | 109.8° |
| N | C4 | H1 | 109.3° | 109.4° |
| N | C4 | H2 | 109.3° | 109.3° |
| C22 | C25 | N3 | 177.5° | 180.0° |
| CL | C | C1 | 119.1° | 120.1° |
| C | C1 | C2 | 119.0° | 119.7° |
| C | C1 | H19 | 120.5° | 120.1° |
| C4 | C3 | C2 | 118.9° | 117.9° |
| C3 | C4 | H1 | 109.2° | 109.4° |
| C3 | C4 | H2 | 109.3° | 109.4° |
| C3 | C2 | C1 | 121.0° | 120.5° |
| C3 | C2 | H18 | 119.5° | 119.8° |
| C1 | C2 | H18 | 119.5° | 119.8° |
| C2 | C1 | H19 | 120.5° | 120.2° |
| H1 | C4 | H2 | 109.4° | 109.4° |
| H3 | C5 | H4 | 109.5° | 109.8° |
| H5 | C7 | H6 | 109.5° | 110.9° |
| H7 | C8 | H8 | 109.5° | 110.3° |
| H12 | C21 | H13 | 109.4° | 109.5° |
| H14 | C24 | H15 | 109.5° | 115.5° |
| H16 | C23 | H17 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | C13 | H21 | 180.0° | 179.9° |
| C14 | C15 | C16 | H9 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 177.2° | 180.0° |
| C15 | C14 | C13 | C18 | 1.6° | 0.0° |
| C14 | C15 | C16 | C17 | 1.6° | 0.0° |
| C14 | C15 | C16 | H20 | 178.4° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C14 | C13 | C12 | C18 | 178.9° | 180.0° |
| C14 | C13 | C12 | N2 | 178.6° | 179.7° |
| C14 | C13 | C18 | C17 | 1.8° | 0.0° |
| C14 | C13 | C18 | C10 | 179.3° | 180.0° |
| C13 | C14 | C15 | H9 | 179.9° | 180.0° |
| C14 | C13 | C12 | H22 | 1.4° | 0.0° |
| C15 | C16 | C17 | H20 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 1.3° | 0.0° |
| C15 | C16 | C17 | H10 | 178.7° | 180.0° |
| C16 | C15 | C14 | H21 | 179.9° | 180.0° |
| C13 | C12 | N2 | H22 | 180.0° | 179.7° |
| C13 | C12 | N2 | C11 | 1.3° | 0.4° |
| C12 | C13 | C18 | C17 | 177.1° | 180.0° |
| C12 | C13 | C18 | C10 | 1.8° | 0.0° |
| C12 | C13 | C14 | H21 | 2.8° | 0.1° |
| N2 | C12 | C13 | C18 | 0.3° | 0.3° |
| C12 | N2 | C11 | C10 | 0.0° | 0.0° |
| C12 | N2 | C11 | H23 | 180.0° | 179.9° |
| C13 | C18 | C17 | C16 | 0.4° | 0.0° |
| C13 | C18 | C17 | C10 | 178.9° | 180.0° |
| C13 | C18 | C10 | C11 | 2.9° | 0.3° |
| C13 | C18 | C10 | N1 | 172.7° | 180.0° |
| C13 | C18 | C17 | H10 | 179.6° | 180.0° |
| C18 | C13 | C14 | H21 | 178.4° | 179.9° |
| C18 | C13 | C12 | H22 | 179.7° | 180.0° |
| N2 | C11 | C10 | C18 | 2.1° | 0.3° |
| N2 | C11 | C10 | H23 | 180.0° | 180.0° |
| N2 | C11 | C10 | N1 | 173.6° | 180.0° |
| C11 | N2 | C12 | H22 | 178.7° | 180.0° |
| C16 | C17 | C18 | H10 | 180.0° | 180.0° |
| C16 | C17 | C18 | C10 | 179.3° | 180.0° |
| C17 | C16 | C15 | H9 | 178.4° | 180.0° |
| C17 | C18 | C10 | C11 | 175.9° | 179.7° |
| C17 | C18 | C10 | N1 | 8.5° | 0.0° |
| C18 | C17 | C16 | H20 | 178.7° | 180.0° |
| C18 | C10 | C11 | N1 | 175.7° | 179.7° |
| C18 | C10 | N1 | C8 | 91.8° | 89.7° |
| C18 | C10 | N1 | C9 | 89.5° | 89.9° |
| C10 | C18 | C17 | H10 | 0.7° | 0.0° |
| C18 | C10 | C11 | H23 | 177.9° | 179.7° |
| C11 | C10 | N1 | C8 | 92.7° | 90.6° |
| C11 | C10 | N1 | C9 | 86.0° | 89.7° |
| N1 | C8 | C7 | H7 | 119.1° | 119.0° |
| N1 | C8 | C7 | H8 | 119.1° | 119.0° |
| C8 | N1 | C10 | C9 | 178.7° | 179.7° |
| N1 | C8 | C7 | C6 | 28.3° | 25.2° |
| C8 | N1 | C9 | C6 | 6.8° | 0.7° |
| C8 | N1 | C9 | O | 173.0° | 179.4° |
| N1 | C8 | C7 | H5 | 147.3° | 93.0° |
| N1 | C8 | C7 | H6 | 90.8° | 143.2° |
| N1 | C8 | H7 | H8 | 122.7° | 122.0° |
| C7 | C8 | N1 | C10 | 164.9° | 163.3° |
| C7 | C8 | N1 | C9 | 14.0° | 17.0° |
| C8 | C7 | C6 | H5 | 119.0° | 118.1° |
| C8 | C7 | C6 | H6 | 119.0° | 118.1° |
| C8 | C7 | C6 | C9 | 31.6° | 24.5° |
| C8 | C7 | C6 | C5 | 81.8° | 94.0° |
| C8 | C7 | C6 | C19 | 149.5° | 142.9° |
| C8 | C7 | H5 | H6 | 122.8° | 123.9° |
| C7 | C8 | H7 | H8 | 122.7° | 122.0° |
| C10 | N1 | C9 | C6 | 174.4° | 179.6° |
| C10 | N1 | C9 | O | 5.8° | 0.3° |
| C10 | N1 | C8 | H7 | 76.1° | 77.7° |
| C10 | N1 | C8 | H8 | 45.8° | 44.3° |
| N1 | C10 | C11 | H23 | 6.4° | 0.1° |
| N1 | C9 | C6 | C7 | 24.3° | 15.9° |
| N1 | C9 | C6 | O | 179.8° | 179.9° |
| N1 | C9 | C6 | C5 | 92.4° | 102.1° |
| N1 | C9 | C6 | C19 | 145.9° | 133.8° |
| C9 | N1 | C8 | H7 | 105.0° | 102.0° |
| C9 | N1 | C8 | H8 | 133.1° | 136.0° |
| C7 | C6 | C9 | C5 | 116.7° | 118.0° |
| C7 | C6 | C9 | C19 | 121.6° | 117.9° |
| C7 | C6 | C9 | O | 155.6° | 164.0° |
| C7 | C6 | C5 | C19 | 130.0° | 121.9° |
| C7 | C6 | C5 | N | 177.0° | 168.0° |
| C7 | C6 | C19 | C20 | 35.8° | 39.5° |
| C7 | C6 | C19 | C3 | 151.5° | 140.7° |
| C7 | C6 | C5 | H3 | 63.1° | 72.4° |
| C7 | C6 | C5 | H4 | 57.1° | 48.4° |
| C6 | C7 | H5 | H6 | 122.8° | 123.8° |
| C6 | C7 | C8 | H7 | 90.8° | 93.9° |
| C6 | C7 | C8 | H8 | 147.3° | 144.1° |
| C9 | C6 | C5 | C19 | 119.8° | 123.3° |
| C9 | C6 | C5 | N | 72.7° | 77.2° |
| C9 | C6 | C19 | C20 | 77.8° | 75.2° |
| C9 | C6 | C19 | C3 | 94.9° | 104.6° |
| C9 | C6 | C5 | H3 | 47.1° | 42.3° |
| C9 | C6 | C5 | H4 | 167.3° | 163.1° |
| C9 | C6 | C7 | H5 | 150.7° | 93.6° |
| C9 | C6 | C7 | H6 | 87.4° | 142.6° |
| O | C9 | C6 | C5 | 87.8° | 78.0° |
| O | C9 | C6 | C19 | 34.0° | 46.1° |
| C6 | C5 | N | H3 | 119.9° | 119.6° |
| C6 | C5 | N | H4 | 119.9° | 119.7° |
| C5 | C6 | C19 | C20 | 164.0° | 161.5° |
| C5 | C6 | C19 | C3 | 23.3° | 18.7° |
| C6 | C5 | N | S | 129.3° | 116.5° |
| C6 | C5 | N | C4 | 65.5° | 63.5° |
| C6 | C5 | H3 | H4 | 120.3° | 120.8° |
| C5 | C6 | C7 | H5 | 37.3° | 147.9° |
| C5 | C6 | C7 | H6 | 159.2° | 24.1° |
| C19 | C6 | C5 | N | 47.0° | 46.1° |
| C6 | C19 | C20 | C3 | 172.7° | 179.8° |
| C6 | C19 | C20 | C | 167.8° | 179.6° |
| C6 | C19 | C3 | C4 | 14.2° | 0.9° |
| C6 | C19 | C3 | C2 | 168.3° | 179.4° |
| C19 | C6 | C5 | H3 | 166.9° | 165.6° |
| C19 | C6 | C5 | H4 | 72.9° | 73.6° |
| C19 | C6 | C7 | H5 | 91.5° | 24.8° |
| C19 | C6 | C7 | H6 | 30.4° | 99.0° |
| C6 | C19 | C20 | H11 | 12.2° | 0.5° |
| C5 | N | S | O2 | 24.4° | 153.9° |
| C5 | N | S | C21 | 91.3° | 90.0° |
| C5 | N | S | C4 | 164.1° | 180.0° |
| C5 | N | S | O1 | 153.3° | 26.1° |
| C5 | N | C4 | C3 | 54.5° | 44.9° |
| C5 | N | C4 | H1 | 174.6° | 165.0° |
| C5 | N | C4 | H2 | 65.7° | 75.1° |
| N | C5 | H3 | H4 | 120.3° | 120.7° |
| C23 | C24 | C22 | H14 | 109.6° | 107.5° |
| C23 | C24 | C22 | H15 | 109.7° | 107.5° |
| C24 | C23 | C22 | H16 | 109.6° | 107.5° |
| C24 | C23 | C22 | H17 | 109.7° | 107.5° |
| C24 | C23 | C22 | C21 | 107.6° | 107.5° |
| C23 | C24 | C22 | C25 | 106.2° | 107.5° |
| C23 | C24 | H14 | H15 | 144.3° | 145.7° |
| C24 | C23 | H16 | H17 | 144.4° | 145.7° |
| C24 | C22 | C21 | C25 | 144.3° | 145.7° |
| C24 | C22 | C21 | S | 118.6° | 179.9° |
| C24 | C22 | C25 | N3 | 15.4° | 31.3° |
| C24 | C22 | C21 | H12 | 2.9° | 59.9° |
| C24 | C22 | C21 | H13 | 119.8° | 60.1° |
| C22 | C24 | H14 | H15 | 144.4° | 145.7° |
| O2 | S | C21 | C22 | 62.1° | 68.4° |
| O2 | S | C21 | N | 114.6° | 111.6° |
| O2 | S | C21 | O1 | 130.7° | 136.7° |
| O2 | S | N | O1 | 128.8° | 127.8° |
| O2 | S | N | C4 | 139.7° | 26.1° |
| O2 | S | C21 | H12 | 59.4° | 51.6° |
| O2 | S | C21 | H13 | 176.3° | 171.6° |
| C23 | C22 | C21 | C25 | 147.1° | 145.7° |
| C23 | C22 | C21 | S | 50.1° | 111.2° |
| C23 | C22 | C25 | N3 | 50.6° | 37.4° |
| C23 | C22 | C21 | H12 | 71.5° | 8.7° |
| C23 | C22 | C21 | H13 | 171.7° | 128.7° |
| C22 | C23 | H16 | H17 | 144.4° | 145.7° |
| C19 | C20 | C | H11 | 180.0° | 179.9° |
| C19 | C20 | C | CL | 175.2° | 179.9° |
| C19 | C20 | C | C1 | 2.1° | 0.1° |
| C20 | C19 | C3 | C4 | 173.0° | 179.3° |
| C20 | C19 | C3 | C2 | 4.4° | 0.4° |
| C | C20 | C19 | C3 | 4.9° | 0.2° |
| C20 | C | CL | C1 | 177.3° | 180.0° |
| C20 | C | C1 | C2 | 1.1° | 0.2° |
| C20 | C | C1 | H19 | 178.9° | 179.8° |
| C19 | C3 | C4 | N | 28.2° | 12.0° |
| C19 | C3 | C4 | C2 | 177.4° | 179.7° |
| C19 | C3 | C2 | C1 | 1.2° | 0.3° |
| C19 | C3 | C4 | H1 | 148.3° | 132.2° |
| C19 | C3 | C4 | H2 | 91.9° | 107.9° |
| C3 | C19 | C20 | H11 | 175.2° | 179.7° |
| C19 | C3 | C2 | H18 | 178.8° | 179.7° |
| C22 | C21 | S | H12 | 121.5° | 119.9° |
| C22 | C21 | S | H13 | 121.6° | 120.0° |
| C22 | C21 | S | N | 176.7° | 180.0° |
| C22 | C21 | S | O1 | 68.6° | 68.4° |
| C21 | C22 | C25 | N3 | 161.0° | 177.0° |
| C22 | C21 | H12 | H13 | 115.0° | 120.0° |
| C21 | C22 | C24 | H14 | 0.1° | 145.0° |
| C21 | C22 | C24 | H15 | 140.8° | 0.0° |
| C21 | C22 | C23 | H16 | 142.7° | 0.0° |
| C21 | C22 | C23 | H17 | 2.1° | 145.0° |
| C21 | S | N | O1 | 115.4° | 116.1° |
| C21 | S | N | C4 | 104.5° | 90.0° |
| S | C21 | C22 | C25 | 97.0° | 34.4° |
| S | C21 | H12 | H13 | 115.0° | 120.1° |
| S | N | C4 | C3 | 139.7° | 135.1° |
| S | N | C4 | H1 | 19.6° | 15.0° |
| S | N | C4 | H2 | 100.2° | 104.8° |
| S | N | C5 | H3 | 9.4° | 3.0° |
| S | N | C5 | H4 | 110.8° | 123.8° |
| N | S | C21 | H12 | 55.1° | 60.1° |
| N | S | C21 | H13 | 61.8° | 60.0° |
| C4 | N | S | O1 | 10.9° | 153.9° |
| N | C4 | C3 | H1 | 120.1° | 120.1° |
| N | C4 | C3 | H2 | 120.2° | 120.0° |
| N | C4 | C3 | C2 | 154.4° | 168.3° |
| N | C4 | H1 | H2 | 119.6° | 119.8° |
| C4 | N | C5 | H3 | 174.6° | 176.9° |
| C4 | N | C5 | H4 | 54.4° | 56.2° |
| C25 | C22 | C21 | H12 | 141.4° | 154.4° |
| C25 | C22 | C21 | H13 | 24.5° | 85.6° |
| C25 | C22 | C24 | H14 | 144.1° | 0.0° |
| C25 | C22 | C24 | H15 | 3.4° | 145.0° |
| C25 | C22 | C23 | H16 | 4.1° | 145.0° |
| C25 | C22 | C23 | H17 | 144.8° | 0.0° |
| O1 | S | C21 | H12 | 169.8° | 171.7° |
| O1 | S | C21 | H13 | 52.9° | 51.6° |
| CL | C | C1 | C2 | 178.4° | 179.8° |
| CL | C | C20 | H11 | 4.8° | 0.0° |
| CL | C | C1 | H19 | 1.7° | 0.2° |
| C | C1 | C2 | C3 | 1.5° | 0.0° |
| C | C1 | C2 | H19 | 180.0° | 180.0° |
| C1 | C | C20 | H11 | 177.9° | 180.0° |
| C | C1 | C2 | H18 | 178.5° | 180.0° |
| C4 | C3 | C2 | C1 | 176.3° | 179.4° |
| C3 | C4 | H1 | H2 | 119.6° | 119.9° |
| C4 | C3 | C2 | H18 | 3.7° | 0.6° |
| C3 | C2 | C1 | H18 | 180.0° | 180.0° |
| C2 | C3 | C4 | H1 | 34.2° | 48.1° |
| C2 | C3 | C4 | H2 | 85.5° | 71.7° |
| C3 | C2 | C1 | H19 | 178.5° | 180.0° |
| H5 | C7 | C8 | H7 | 28.2° | 148.0° |
| H5 | C7 | C8 | H8 | 93.7° | 26.0° |
| H6 | C7 | C8 | H7 | 150.2° | 24.2° |
| H6 | C7 | C8 | H8 | 28.3° | 97.8° |
| H9 | C15 | C16 | H20 | 1.6° | 0.0° |
| H9 | C15 | C14 | H21 | 0.1° | 0.1° |
| H10 | C17 | C16 | H20 | 1.3° | 0.0° |
| H14 | C24 | C23 | H16 | 140.7° | 145.0° |
| H14 | C24 | C23 | H17 | 0.0° | 0.0° |
| H15 | C24 | C23 | H16 | 0.0° | 0.0° |
| H15 | C24 | C23 | H17 | 140.7° | 145.0° |
| H18 | C2 | C1 | H19 | 1.5° | 0.0° |
