Q9L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O02 | C13 | doub | 1.22Å | 1.26Å | |
| O | S | doub | 1.42Å | 1.44Å | |
| O01 | C13 | sing | 1.35Å | 1.26Å | |
| C13 | C10 | sing | 1.47Å | 1.51Å | |
| N | S | sing | 1.66Å | 1.66Å | |
| N | C11 | sing | 1.39Å | 1.44Å | |
| S | O03 | doub | 1.42Å | 1.44Å | |
| S | C14 | sing | 1.76Å | 1.78Å | |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.41Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C09 | C08 | doub | 1.36Å | 1.39Å | Aromatic |
| C | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | C20 | sing | 1.48Å | 1.51Å | |
| C12 | C07 | doub | 1.39Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C08 | C07 | sing | 1.40Å | 1.39Å | Aromatic |
| C07 | C05 | sing | 1.48Å | 1.51Å | |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | doub | 1.40Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | C01 | doub | 1.38Å | 1.38Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | CL | sing | 1.74Å | 1.74Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| N | H5 | sing | 0.97Å | 1.00Å | |
| C | H6 | sing | 1.08Å | 1.08Å | |
| C01 | H7 | sing | 1.08Å | 1.08Å | |
| C03 | H8 | sing | 1.08Å | 1.08Å | |
| C04 | H9 | sing | 1.08Å | 1.08Å | |
| C06 | H10 | sing | 1.08Å | 1.08Å | |
| C08 | H11 | sing | 1.08Å | 1.08Å | |
| C09 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C23 | H17 | sing | 1.08Å | 1.08Å | |
| O01 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O02 | C13 | O01 | 120.5° | 120.0° |
| O02 | C13 | C10 | 119.8° | 120.0° |
| O | S | N | 108.7° | 106.4° |
| O | S | O03 | 102.3° | 123.2° |
| O | S | C14 | 111.7° | 106.4° |
| O01 | C13 | C10 | 119.7° | 120.0° |
| C13 | O01 | H18 | 109.5° | 117.0° |
| C13 | C10 | C11 | 119.8° | 120.1° |
| C13 | C10 | C09 | 120.0° | 120.1° |
| S | N | C11 | 120.0° | 120.0° |
| N | S | O03 | 113.9° | 106.4° |
| N | S | C14 | 111.4° | 107.2° |
| S | N | H5 | 106.8° | 120.0° |
| N | C11 | C10 | 122.7° | 120.2° |
| N | C11 | C12 | 117.7° | 120.2° |
| C11 | N | H5 | 106.8° | 120.0° |
| O03 | S | C14 | 108.4° | 106.4° |
| S | C14 | C15 | 120.2° | 119.8° |
| S | C14 | C19 | 119.4° | 119.9° |
| C14 | C15 | C16 | 119.8° | 120.1° |
| C15 | C14 | C19 | 120.3° | 120.3° |
| C14 | C15 | H1 | 120.1° | 120.0° |
| C15 | C16 | C17 | 119.6° | 119.9° |
| C16 | C15 | H1 | 120.1° | 119.9° |
| C15 | C16 | H14 | 120.2° | 120.1° |
| C11 | C10 | C09 | 120.3° | 119.8° |
| C10 | C11 | C12 | 119.6° | 119.6° |
| C10 | C09 | C08 | 120.1° | 120.1° |
| C10 | C09 | H12 | 120.0° | 119.9° |
| C14 | C19 | C18 | 120.0° | 120.1° |
| C14 | C19 | H16 | 120.0° | 120.0° |
| C16 | C17 | C18 | 121.0° | 119.7° |
| C16 | C17 | C20 | 118.9° | 120.1° |
| C17 | C16 | H14 | 120.2° | 120.0° |
| C11 | C12 | C07 | 120.1° | 119.8° |
| C11 | C12 | H13 | 120.0° | 120.1° |
| C09 | C08 | C07 | 118.7° | 120.4° |
| C09 | C08 | H11 | 120.7° | 119.8° |
| C08 | C09 | H12 | 119.9° | 120.0° |
| C24 | C | C20 | 119.7° | 119.9° |
| C | C24 | C23 | 119.4° | 120.1° |
| C | C24 | H4 | 120.3° | 120.0° |
| C24 | C | H6 | 120.2° | 120.0° |
| C | C20 | C17 | 119.4° | 120.1° |
| C | C20 | C21 | 121.3° | 119.8° |
| C20 | C | H6 | 120.2° | 120.1° |
| C19 | C18 | C17 | 119.2° | 119.9° |
| C19 | C18 | H15 | 120.4° | 120.1° |
| C18 | C19 | H16 | 120.0° | 119.9° |
| C18 | C17 | C20 | 120.1° | 120.1° |
| C17 | C18 | H15 | 120.4° | 120.1° |
| C17 | C20 | C21 | 119.3° | 120.1° |
| C12 | C07 | C08 | 121.3° | 120.2° |
| C12 | C07 | C05 | 115.2° | 119.9° |
| C07 | C12 | H13 | 119.9° | 120.1° |
| C24 | C23 | C22 | 120.2° | 120.2° |
| C23 | C24 | H4 | 120.3° | 119.9° |
| C24 | C23 | H17 | 119.9° | 119.9° |
| C20 | C21 | C22 | 118.7° | 119.9° |
| C20 | C21 | H2 | 120.7° | 120.1° |
| C08 | C07 | C05 | 123.5° | 120.0° |
| C07 | C08 | H11 | 120.7° | 119.8° |
| C07 | C05 | C04 | 116.7° | 120.1° |
| C07 | C05 | C06 | 121.8° | 120.2° |
| C23 | C22 | C21 | 120.8° | 120.1° |
| C23 | C22 | H3 | 119.6° | 119.9° |
| C22 | C23 | H17 | 119.9° | 119.8° |
| C22 | C21 | H2 | 120.6° | 120.1° |
| C21 | C22 | H3 | 119.6° | 120.0° |
| C04 | C05 | C06 | 121.5° | 119.8° |
| C05 | C04 | C03 | 120.2° | 119.9° |
| C05 | C04 | H9 | 119.9° | 120.1° |
| C05 | C06 | C01 | 118.6° | 119.9° |
| C05 | C06 | H10 | 120.7° | 120.1° |
| C04 | C03 | C02 | 118.6° | 120.2° |
| C04 | C03 | H8 | 120.7° | 119.9° |
| C03 | C04 | H9 | 119.9° | 120.1° |
| C06 | C01 | C02 | 119.9° | 120.1° |
| C06 | C01 | H7 | 120.1° | 119.9° |
| C01 | C06 | H10 | 120.7° | 120.0° |
| C03 | C02 | C01 | 121.3° | 120.2° |
| C03 | C02 | CL | 118.9° | 119.9° |
| C02 | C03 | H8 | 120.7° | 119.9° |
| C01 | C02 | CL | 119.8° | 119.9° |
| C02 | C01 | H7 | 120.1° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O02 | C13 | O01 | C10 | 180.0° | 180.0° |
| O02 | C13 | C10 | C11 | 0.7° | 0.0° |
| O02 | C13 | C10 | C09 | 179.5° | 179.7° |
| O02 | C13 | O01 | H18 | 0.0° | 0.1° |
| O | S | N | O03 | 113.3° | 132.9° |
| O | S | N | C14 | 123.6° | 113.5° |
| O | S | N | C11 | 149.9° | 53.1° |
| O | S | O03 | C14 | 118.2° | 122.9° |
| O | S | C14 | C15 | 62.8° | 156.5° |
| O | S | C14 | C19 | 117.3° | 23.5° |
| O | S | N | H5 | 28.4° | 126.9° |
| O01 | C13 | C10 | C11 | 179.3° | 180.0° |
| O01 | C13 | C10 | C09 | 0.4° | 0.2° |
| C13 | C10 | C11 | N | 0.8° | 0.3° |
| C13 | C10 | C11 | C09 | 179.8° | 179.8° |
| C13 | C10 | C11 | C12 | 179.8° | 179.8° |
| C13 | C10 | C09 | C08 | 179.9° | 179.8° |
| C13 | C10 | C09 | H12 | 0.1° | 0.2° |
| C10 | C13 | O01 | H18 | 179.9° | 180.0° |
| S | N | C11 | H5 | 121.5° | 180.0° |
| N | S | O03 | C14 | 124.7° | 114.1° |
| N | S | C14 | C15 | 59.0° | 90.0° |
| S | N | C11 | C10 | 109.8° | 144.3° |
| N | S | C14 | C19 | 120.9° | 90.0° |
| S | N | C11 | C12 | 69.2° | 35.7° |
| C11 | N | S | O03 | 96.8° | 173.9° |
| C11 | N | S | C14 | 26.3° | 60.4° |
| N | C11 | C10 | C12 | 179.0° | 180.0° |
| N | C11 | C10 | C09 | 179.4° | 180.0° |
| N | C11 | C12 | C07 | 179.4° | 180.0° |
| N | C11 | C12 | H13 | 0.6° | 0.1° |
| O03 | S | C14 | C15 | 174.8° | 23.5° |
| O03 | S | C14 | C19 | 5.3° | 156.4° |
| O03 | S | N | H5 | 141.8° | 6.1° |
| S | C14 | C15 | C19 | 179.9° | 180.0° |
| S | C14 | C15 | C16 | 179.9° | 179.9° |
| S | C14 | C19 | C18 | 179.9° | 180.0° |
| S | C14 | C15 | H1 | 0.1° | 0.3° |
| C14 | S | N | H5 | 95.1° | 119.6° |
| S | C14 | C19 | H16 | 0.1° | 0.0° |
| C14 | C15 | C16 | H1 | 180.0° | 179.8° |
| C14 | C15 | C16 | C17 | 0.2° | 0.1° |
| C15 | C14 | C19 | C18 | 0.1° | 0.0° |
| C14 | C15 | C16 | H14 | 179.8° | 180.0° |
| C15 | C14 | C19 | H16 | 179.9° | 179.9° |
| C16 | C15 | C14 | C19 | 0.1° | 0.0° |
| C15 | C16 | C17 | H14 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.2° | 0.1° |
| C15 | C16 | C17 | C20 | 179.6° | 179.9° |
| C11 | C10 | C09 | C08 | 0.1° | 0.0° |
| C10 | C11 | C12 | C07 | 0.3° | 0.0° |
| C10 | C11 | N | H5 | 11.6° | 35.7° |
| C11 | C10 | C09 | H12 | 179.9° | 180.0° |
| C10 | C11 | C12 | H13 | 179.7° | 180.0° |
| C09 | C10 | C11 | C12 | 0.4° | 0.0° |
| C10 | C09 | C08 | H12 | 180.0° | 180.0° |
| C10 | C09 | C08 | C07 | 0.2° | 0.0° |
| C10 | C09 | C08 | H11 | 179.8° | 180.0° |
| C14 | C19 | C18 | H16 | 180.0° | 180.0° |
| C14 | C19 | C18 | C17 | 0.1° | 0.0° |
| C19 | C14 | C15 | H1 | 179.9° | 179.8° |
| C14 | C19 | C18 | H15 | 179.8° | 180.0° |
| C16 | C17 | C20 | C | 9.9° | 179.7° |
| C16 | C17 | C18 | C19 | 0.2° | 0.1° |
| C16 | C17 | C18 | C20 | 179.4° | 180.0° |
| C16 | C17 | C20 | C21 | 169.1° | 0.0° |
| C17 | C16 | C15 | H1 | 179.8° | 179.7° |
| C16 | C17 | C18 | H15 | 179.8° | 180.0° |
| C11 | C12 | C07 | H13 | 180.0° | 180.0° |
| C11 | C12 | C07 | C08 | 0.0° | 0.0° |
| C11 | C12 | C07 | C05 | 179.5° | 180.0° |
| C12 | C11 | N | H5 | 169.3° | 144.2° |
| C09 | C08 | C07 | C12 | 0.3° | 0.0° |
| C09 | C08 | C07 | H11 | 180.0° | 180.0° |
| C09 | C08 | C07 | C05 | 179.8° | 180.0° |
| C24 | C | C20 | H6 | 180.0° | 180.0° |
| C24 | C | C20 | C17 | 179.4° | 180.0° |
| C | C24 | C23 | H4 | 180.0° | 179.6° |
| C24 | C | C20 | C21 | 0.5° | 0.3° |
| C | C24 | C23 | C22 | 0.4° | 0.3° |
| C | C24 | C23 | H17 | 179.5° | 180.0° |
| C | C20 | C17 | C18 | 170.7° | 0.3° |
| C | C20 | C17 | C21 | 179.0° | 179.7° |
| C20 | C | C24 | C23 | 0.0° | 0.0° |
| C | C20 | C21 | C22 | 0.4° | 0.2° |
| C | C20 | C21 | H2 | 179.6° | 179.7° |
| C20 | C | C24 | H4 | 180.0° | 179.7° |
| C19 | C18 | C17 | H15 | 180.0° | 180.0° |
| C19 | C18 | C17 | C20 | 179.6° | 180.0° |
| C18 | C17 | C20 | C21 | 10.3° | 180.0° |
| C18 | C17 | C16 | H14 | 179.8° | 180.0° |
| C17 | C18 | C19 | H16 | 179.9° | 180.0° |
| C17 | C20 | C21 | C22 | 179.4° | 180.0° |
| C17 | C20 | C21 | H2 | 0.6° | 0.0° |
| C17 | C20 | C | H6 | 0.6° | 0.0° |
| C20 | C17 | C16 | H14 | 0.4° | 0.0° |
| C20 | C17 | C18 | H15 | 0.4° | 0.0° |
| C12 | C07 | C08 | C05 | 179.5° | 180.0° |
| C12 | C07 | C05 | C04 | 1.8° | 180.0° |
| C12 | C07 | C05 | C06 | 179.0° | 0.3° |
| C12 | C07 | C08 | H11 | 179.7° | 180.0° |
| C24 | C23 | C22 | H17 | 180.0° | 179.6° |
| C24 | C23 | C22 | C21 | 0.5° | 0.4° |
| C24 | C23 | C22 | H3 | 179.5° | 179.7° |
| C23 | C24 | C | H6 | 179.9° | 180.0° |
| C20 | C21 | C22 | C23 | 0.1° | 0.1° |
| C20 | C21 | C22 | H2 | 180.0° | 180.0° |
| C20 | C21 | C22 | H3 | 179.9° | 180.0° |
| C21 | C20 | C | H6 | 179.5° | 179.7° |
| C08 | C07 | C05 | C04 | 177.7° | 0.0° |
| C08 | C07 | C05 | C06 | 1.5° | 179.7° |
| C07 | C08 | C09 | H12 | 179.8° | 180.0° |
| C08 | C07 | C12 | H13 | 180.0° | 180.0° |
| C07 | C05 | C04 | C06 | 179.3° | 179.7° |
| C07 | C05 | C04 | C03 | 179.9° | 180.0° |
| C07 | C05 | C06 | C01 | 179.7° | 179.7° |
| C07 | C05 | C04 | H9 | 0.1° | 0.0° |
| C07 | C05 | C06 | H10 | 0.3° | 0.3° |
| C05 | C07 | C08 | H11 | 0.3° | 0.0° |
| C05 | C07 | C12 | H13 | 0.5° | 0.0° |
| C23 | C22 | C21 | H3 | 180.0° | 179.9° |
| C23 | C22 | C21 | H2 | 179.9° | 180.0° |
| C22 | C23 | C24 | H4 | 179.6° | 180.0° |
| C21 | C22 | C23 | H17 | 179.5° | 180.0° |
| C05 | C04 | C03 | H9 | 180.0° | 179.9° |
| C04 | C05 | C06 | C01 | 0.4° | 0.6° |
| C05 | C04 | C03 | C02 | 0.9° | 0.0° |
| C05 | C04 | C03 | H8 | 179.1° | 180.0° |
| C04 | C05 | C06 | H10 | 179.5° | 180.0° |
| C06 | C05 | C04 | C03 | 0.8° | 0.3° |
| C05 | C06 | C01 | H10 | 180.0° | 179.4° |
| C05 | C06 | C01 | C02 | 0.2° | 0.6° |
| C05 | C06 | C01 | H7 | 179.8° | 179.7° |
| C06 | C05 | C04 | H9 | 179.2° | 179.7° |
| C04 | C03 | C02 | H8 | 180.0° | 180.0° |
| C04 | C03 | C02 | C01 | 0.7° | 0.0° |
| C04 | C03 | C02 | CL | 179.8° | 180.0° |
| C06 | C01 | C02 | C03 | 0.3° | 0.3° |
| C06 | C01 | C02 | H7 | 180.0° | 179.7° |
| C06 | C01 | C02 | CL | 179.9° | 179.7° |
| C03 | C02 | C01 | CL | 179.5° | 180.0° |
| C03 | C02 | C01 | H7 | 179.7° | 180.0° |
| C02 | C03 | C04 | H9 | 179.1° | 180.0° |
| C01 | C02 | C03 | H8 | 179.3° | 180.0° |
| C02 | C01 | C06 | H10 | 179.8° | 180.0° |
| CL | C02 | C01 | H7 | 0.1° | 0.0° |
| CL | C02 | C03 | H8 | 0.3° | 0.0° |
| H1 | C15 | C16 | H14 | 0.2° | 0.2° |
| H2 | C21 | C22 | H3 | 0.1° | 0.0° |
| H3 | C22 | C23 | H17 | 0.5° | 0.1° |
| H4 | C24 | C | H6 | 0.1° | 0.3° |
| H4 | C24 | C23 | H17 | 0.5° | 0.4° |
| H7 | C01 | C06 | H10 | 0.2° | 0.3° |
| H8 | C03 | C04 | H9 | 0.9° | 0.1° |
| H11 | C08 | C09 | H12 | 0.2° | 0.0° |
| H15 | C18 | C19 | H16 | 0.2° | 0.1° |
