RL0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | S | sing | 1.81Å | 1.75Å | |
| O2 | S | doub | 1.42Å | 1.43Å | |
| C3 | C2 | doub | 1.36Å | 1.36Å | Aromatic |
| C3 | C4 | sing | 1.41Å | 1.42Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.42Å | Aromatic |
| C5 | N1 | sing | 1.31Å | 1.33Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.40Å | Aromatic |
| S | O1 | doub | 1.42Å | 1.43Å | |
| S | N | sing | 1.66Å | 1.64Å | |
| C4 | C16 | sing | 1.42Å | 1.42Å | Aromatic |
| N1 | C6 | doub | 1.33Å | 1.34Å | Aromatic |
| C1 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | N | sing | 1.40Å | 1.45Å | |
| C16 | C17 | sing | 1.40Å | 1.42Å | Aromatic |
| C16 | C7 | doub | 1.41Å | 1.43Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | N2 | sing | 1.40Å | 1.41Å | |
| N | C | sing | 1.46Å | 1.47Å | |
| N2 | C8 | sing | 1.35Å | 1.35Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | O | doub | 1.21Å | 1.23Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | CL | sing | 1.74Å | 1.74Å | |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.08Å | 1.08Å | |
| C2 | H13 | sing | 1.08Å | 1.08Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.08Å | 1.08Å | |
| C11 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | S | O2 | 108.7° | 110.5° |
| C18 | S | O1 | 108.4° | 110.6° |
| C18 | S | N | 107.2° | 104.5° |
| S | C18 | H6 | 109.5° | 109.4° |
| S | C18 | H7 | 109.5° | 109.4° |
| S | C18 | H8 | 109.5° | 109.4° |
| O2 | S | O1 | 118.8° | 121.0° |
| O2 | S | N | 106.7° | 104.2° |
| C2 | C3 | C4 | 121.0° | 119.8° |
| C3 | C2 | C1 | 121.1° | 121.0° |
| C2 | C3 | H12 | 119.5° | 120.1° |
| C3 | C2 | H13 | 119.5° | 119.5° |
| C3 | C4 | C5 | 123.2° | 121.8° |
| C3 | C4 | C16 | 119.0° | 119.5° |
| C4 | C3 | H12 | 119.5° | 120.1° |
| C4 | C5 | N1 | 124.2° | 120.2° |
| C5 | C4 | C16 | 117.8° | 118.7° |
| C4 | C5 | H1 | 117.9° | 119.9° |
| C5 | N1 | C6 | 117.5° | 122.9° |
| N1 | C5 | H1 | 117.9° | 119.9° |
| C2 | C1 | C17 | 119.4° | 120.7° |
| C2 | C1 | N | 120.1° | 119.6° |
| C1 | C2 | H13 | 119.4° | 119.5° |
| O1 | S | N | 106.5° | 104.3° |
| S | N | C1 | 120.3° | 119.9° |
| S | N | C | 117.9° | 120.0° |
| C4 | C16 | C17 | 118.4° | 119.7° |
| C4 | C16 | C7 | 117.8° | 118.2° |
| N1 | C6 | C7 | 124.9° | 121.6° |
| N1 | C6 | H2 | 117.6° | 119.2° |
| C17 | C1 | N | 119.8° | 119.7° |
| C1 | C17 | C16 | 121.0° | 119.4° |
| C1 | C17 | H5 | 119.5° | 120.3° |
| C1 | N | C | 120.1° | 120.0° |
| C17 | C16 | C7 | 123.7° | 122.1° |
| C16 | C17 | H5 | 119.5° | 120.4° |
| C16 | C7 | C6 | 117.8° | 118.5° |
| C16 | C7 | N2 | 118.4° | 120.7° |
| C6 | C7 | N2 | 123.7° | 120.8° |
| C7 | C6 | H2 | 117.5° | 119.3° |
| C7 | N2 | C8 | 128.0° | 120.0° |
| C7 | N2 | H14 | 116.0° | 120.0° |
| N | C | H9 | 109.5° | 109.5° |
| N | C | H10 | 109.5° | 109.5° |
| N | C | H11 | 109.5° | 109.4° |
| N2 | C8 | C9 | 114.3° | 120.0° |
| N2 | C8 | O | 123.7° | 120.0° |
| C8 | N2 | H14 | 116.0° | 120.0° |
| C9 | C8 | O | 122.1° | 120.0° |
| C8 | C9 | C10 | 112.9° | 109.4° |
| C8 | C9 | H15 | 108.6° | 109.5° |
| C8 | C9 | H16 | 108.6° | 109.5° |
| C9 | C10 | C15 | 120.2° | 120.0° |
| C9 | C10 | C11 | 120.9° | 120.0° |
| C10 | C9 | H15 | 108.6° | 109.4° |
| C10 | C9 | H16 | 108.6° | 109.4° |
| C15 | C10 | C11 | 118.8° | 120.0° |
| C10 | C15 | C14 | 119.6° | 120.0° |
| C10 | C15 | H4 | 120.2° | 120.0° |
| C10 | C11 | C12 | 120.8° | 120.0° |
| C10 | C11 | H18 | 119.6° | 120.0° |
| C15 | C14 | CL | 118.9° | 120.0° |
| C15 | C14 | C13 | 121.8° | 119.9° |
| C14 | C15 | H4 | 120.2° | 120.0° |
| C11 | C12 | C13 | 120.3° | 120.0° |
| C11 | C12 | H17 | 119.8° | 120.0° |
| C12 | C11 | H18 | 119.6° | 120.0° |
| CL | C14 | C13 | 119.3° | 120.0° |
| C14 | C13 | C12 | 118.6° | 120.0° |
| C14 | C13 | H3 | 120.7° | 120.0° |
| C12 | C13 | H3 | 120.7° | 120.0° |
| C13 | C12 | H17 | 119.9° | 119.9° |
| H6 | C18 | H7 | 109.5° | 109.5° |
| H6 | C18 | H8 | 109.5° | 109.5° |
| H7 | C18 | H8 | 109.4° | 109.5° |
| H9 | C | H10 | 109.5° | 109.5° |
| H9 | C | H11 | 109.5° | 109.5° |
| H10 | C | H11 | 109.5° | 109.5° |
| H15 | C9 | H16 | 109.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | S | O2 | O1 | 124.5° | 131.5° |
| C18 | S | O2 | N | 115.3° | 111.7° |
| C18 | S | O1 | N | 115.0° | 111.8° |
| C18 | S | N | C1 | 78.4° | 94.3° |
| C18 | S | N | C | 86.4° | 85.7° |
| S | C18 | H6 | H7 | 120.0° | 120.0° |
| S | C18 | H6 | H8 | 120.0° | 120.0° |
| S | C18 | H7 | H8 | 120.0° | 119.9° |
| O2 | S | O1 | N | 120.3° | 116.7° |
| O2 | S | N | C1 | 37.9° | 149.6° |
| O2 | S | N | C | 157.3° | 30.4° |
| O2 | S | C18 | H6 | 180.0° | 51.6° |
| O2 | S | C18 | H7 | 60.0° | 171.6° |
| O2 | S | C18 | H8 | 60.0° | 68.4° |
| C2 | C3 | C4 | H12 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 176.8° | 179.9° |
| C3 | C2 | C1 | H13 | 180.0° | 179.9° |
| C2 | C3 | C4 | C16 | 1.4° | 0.0° |
| C3 | C2 | C1 | C17 | 3.2° | 0.1° |
| C3 | C2 | C1 | N | 166.7° | 180.0° |
| C3 | C4 | C5 | C16 | 178.2° | 179.9° |
| C3 | C4 | C5 | N1 | 178.2° | 179.9° |
| C4 | C3 | C2 | C1 | 0.8° | 0.1° |
| C3 | C4 | C16 | C17 | 1.1° | 0.0° |
| C3 | C4 | C16 | C7 | 178.4° | 179.9° |
| C3 | C4 | C5 | H1 | 1.7° | 0.1° |
| C4 | C3 | C2 | H13 | 179.2° | 180.0° |
| C4 | C5 | N1 | H1 | 180.0° | 180.0° |
| C4 | C5 | N1 | C6 | 0.3° | 0.0° |
| C5 | C4 | C16 | C17 | 177.2° | 179.9° |
| C5 | C4 | C16 | C7 | 0.1° | 0.0° |
| C5 | C4 | C3 | H12 | 3.2° | 0.1° |
| N1 | C5 | C4 | C16 | 0.0° | 0.0° |
| C5 | N1 | C6 | C7 | 0.5° | 0.0° |
| C5 | N1 | C6 | H2 | 179.5° | 180.0° |
| C2 | C1 | N | S | 92.3° | 58.1° |
| C2 | C1 | C17 | N | 170.0° | 179.9° |
| C2 | C1 | C17 | C16 | 3.4° | 0.1° |
| C2 | C1 | N | C | 72.1° | 121.9° |
| C2 | C1 | C17 | H5 | 176.6° | 180.0° |
| C1 | C2 | C3 | H12 | 179.2° | 179.9° |
| O1 | S | N | C1 | 165.8° | 21.8° |
| O1 | S | N | C | 29.4° | 158.2° |
| O1 | S | C18 | H6 | 49.5° | 171.7° |
| O1 | S | C18 | H7 | 169.6° | 51.6° |
| O1 | S | C18 | H8 | 70.5° | 68.3° |
| S | N | C1 | C17 | 97.8° | 122.0° |
| S | N | C1 | C | 164.4° | 180.0° |
| N | S | C18 | H6 | 65.0° | 60.0° |
| N | S | C18 | H7 | 55.0° | 60.0° |
| N | S | C18 | H8 | 175.0° | 180.0° |
| S | N | C | H9 | 180.0° | 90.0° |
| S | N | C | H10 | 60.0° | 150.0° |
| S | N | C | H11 | 60.0° | 30.0° |
| C4 | C16 | C17 | C1 | 1.3° | 0.0° |
| C4 | C16 | C17 | C7 | 177.1° | 179.9° |
| C4 | C16 | C7 | C6 | 0.1° | 0.0° |
| C4 | C16 | C7 | N2 | 176.1° | 180.0° |
| C16 | C4 | C5 | H1 | 180.0° | 180.0° |
| C4 | C16 | C17 | H5 | 178.7° | 180.0° |
| C16 | C4 | C3 | H12 | 178.6° | 180.0° |
| N1 | C6 | C7 | C16 | 0.4° | 0.0° |
| N1 | C6 | C7 | H2 | 180.0° | 179.9° |
| N1 | C6 | C7 | N2 | 175.6° | 179.9° |
| C6 | N1 | C5 | H1 | 179.8° | 180.0° |
| C1 | C17 | C16 | H5 | 180.0° | 179.9° |
| C1 | C17 | C16 | C7 | 175.8° | 179.9° |
| C17 | C1 | N | C | 97.8° | 57.9° |
| C17 | C1 | C2 | H13 | 176.8° | 180.0° |
| N | C1 | C17 | C16 | 166.6° | 180.0° |
| N | C1 | C17 | H5 | 13.4° | 0.1° |
| C1 | N | C | H9 | 15.2° | 90.0° |
| C1 | N | C | H10 | 104.8° | 30.0° |
| C1 | N | C | H11 | 135.2° | 150.0° |
| N | C1 | C2 | H13 | 13.3° | 0.1° |
| C17 | C16 | C7 | C6 | 177.2° | 179.9° |
| C17 | C16 | C7 | N2 | 1.0° | 0.1° |
| C16 | C7 | C6 | N2 | 176.0° | 180.0° |
| C16 | C7 | N2 | C8 | 91.3° | 160.8° |
| C16 | C7 | C6 | H2 | 179.6° | 179.9° |
| C7 | C16 | C17 | H5 | 4.2° | 0.1° |
| C16 | C7 | N2 | H14 | 88.7° | 19.1° |
| C6 | C7 | N2 | C8 | 84.6° | 19.3° |
| C6 | C7 | N2 | H14 | 95.4° | 160.8° |
| C7 | N2 | C8 | H14 | 180.0° | 179.9° |
| C7 | N2 | C8 | C9 | 175.3° | 175.0° |
| C7 | N2 | C8 | O | 4.3° | 5.0° |
| N2 | C7 | C6 | H2 | 4.4° | 0.0° |
| N | C | H9 | H10 | 120.0° | 120.0° |
| N | C | H9 | H11 | 120.0° | 120.0° |
| N | C | H10 | H11 | 120.0° | 120.0° |
| N2 | C8 | C9 | O | 179.6° | 180.0° |
| N2 | C8 | C9 | C10 | 157.3° | 180.0° |
| N2 | C8 | C9 | H15 | 82.2° | 60.1° |
| N2 | C8 | C9 | H16 | 36.7° | 60.1° |
| C8 | C9 | C10 | H15 | 120.5° | 120.0° |
| C8 | C9 | C10 | H16 | 120.5° | 119.9° |
| C8 | C9 | C10 | C15 | 84.6° | 90.1° |
| C8 | C9 | C10 | C11 | 91.2° | 89.7° |
| C9 | C8 | N2 | H14 | 4.7° | 5.1° |
| C8 | C9 | H15 | H16 | 118.4° | 120.1° |
| O | C8 | C9 | C10 | 22.4° | 0.0° |
| O | C8 | N2 | H14 | 175.7° | 174.9° |
| O | C8 | C9 | H15 | 98.2° | 119.9° |
| O | C8 | C9 | H16 | 142.9° | 119.9° |
| C9 | C10 | C15 | C11 | 175.9° | 179.8° |
| C9 | C10 | C15 | C14 | 173.3° | 179.7° |
| C9 | C10 | C11 | C12 | 173.8° | 179.8° |
| C9 | C10 | C15 | H4 | 6.7° | 0.2° |
| C10 | C9 | H15 | H16 | 118.4° | 120.0° |
| C9 | C10 | C11 | H18 | 6.2° | 0.3° |
| C10 | C15 | C14 | H4 | 180.0° | 179.9° |
| C15 | C10 | C11 | C12 | 2.1° | 0.0° |
| C10 | C15 | C14 | CL | 178.5° | 180.0° |
| C10 | C15 | C14 | C13 | 0.9° | 0.1° |
| C15 | C10 | C9 | H15 | 154.9° | 29.9° |
| C15 | C10 | C9 | H16 | 36.0° | 150.0° |
| C15 | C10 | C11 | H18 | 178.0° | 179.9° |
| C11 | C10 | C15 | C14 | 2.5° | 0.1° |
| C10 | C11 | C12 | H18 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.1° | 0.1° |
| C11 | C10 | C15 | H4 | 177.5° | 180.0° |
| C11 | C10 | C9 | H15 | 29.3° | 150.3° |
| C11 | C10 | C9 | H16 | 148.3° | 30.2° |
| C10 | C11 | C12 | H17 | 179.9° | 180.0° |
| C15 | C14 | CL | C13 | 179.5° | 179.9° |
| C15 | C14 | C13 | C12 | 1.3° | 0.0° |
| C15 | C14 | C13 | H3 | 178.7° | 179.9° |
| C11 | C12 | C13 | C14 | 1.7° | 0.1° |
| C11 | C12 | C13 | H17 | 180.0° | 179.9° |
| C11 | C12 | C13 | H3 | 178.3° | 180.0° |
| CL | C14 | C13 | C12 | 179.3° | 179.9° |
| CL | C14 | C13 | H3 | 0.7° | 0.0° |
| CL | C14 | C15 | H4 | 1.4° | 0.1° |
| C14 | C13 | C12 | H3 | 180.0° | 179.9° |
| C13 | C14 | C15 | H4 | 179.1° | 180.0° |
| C14 | C13 | C12 | H17 | 178.3° | 180.0° |
| C13 | C12 | C11 | H18 | 179.9° | 180.0° |
| H3 | C13 | C12 | H17 | 1.7° | 0.1° |
| H6 | C18 | H7 | H8 | 120.0° | 120.1° |
| H9 | C | H10 | H11 | 120.0° | 120.0° |
| H12 | C3 | C2 | H13 | 0.8° | 0.0° |
| H17 | C12 | C11 | H18 | 0.1° | 0.1° |
