RSL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | S | sing | 1.81Å | 1.74Å | |
| O2 | C1 | sing | 1.36Å | 1.42Å | |
| O2 | S | sing | 1.52Å | 1.60Å | |
| O | S | doub | 1.42Å | 1.42Å | |
| C1 | C17 | doub | 1.37Å | 1.37Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.40Å | 1.42Å | Aromatic |
| S | O1 | doub | 1.42Å | 1.42Å | |
| C15 | C16 | doub | 1.40Å | 1.41Å | Aromatic |
| C15 | N1 | sing | 1.31Å | 1.32Å | Aromatic |
| C16 | C4 | sing | 1.42Å | 1.43Å | Aromatic |
| C2 | C3 | doub | 1.36Å | 1.36Å | Aromatic |
| N1 | C14 | doub | 1.33Å | 1.34Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.42Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.43Å | Aromatic |
| C14 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | N | sing | 1.40Å | 1.41Å | |
| N | C6 | sing | 1.35Å | 1.35Å | |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C6 | O3 | doub | 1.21Å | 1.23Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | CL | sing | 1.74Å | 1.74Å | |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| N | H9 | sing | 0.97Å | 1.00Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | S | O2 | 102.7° | 104.4° |
| C | S | O | 109.7° | 110.5° |
| C | S | O1 | 109.7° | 110.6° |
| S | C | H13 | 109.5° | 109.5° |
| S | C | H14 | 109.5° | 109.4° |
| S | C | H15 | 109.5° | 109.5° |
| C1 | O2 | S | 120.2° | 114.0° |
| O2 | C1 | C17 | 120.3° | 119.5° |
| O2 | C1 | C2 | 118.1° | 119.5° |
| O2 | S | O | 106.3° | 104.3° |
| O2 | S | O1 | 107.4° | 104.3° |
| O | S | O1 | 119.6° | 121.0° |
| C17 | C1 | C2 | 121.3° | 121.0° |
| C1 | C17 | C16 | 119.7° | 119.5° |
| C1 | C17 | H6 | 120.1° | 120.3° |
| C1 | C2 | C3 | 120.2° | 120.9° |
| C1 | C2 | H12 | 119.9° | 119.5° |
| C17 | C16 | C15 | 123.0° | 121.9° |
| C17 | C16 | C4 | 119.2° | 119.4° |
| C16 | C17 | H6 | 120.1° | 120.3° |
| C16 | C15 | N1 | 124.2° | 120.2° |
| C15 | C16 | C4 | 117.7° | 118.7° |
| C16 | C15 | H5 | 117.9° | 119.9° |
| C15 | N1 | C14 | 117.5° | 122.9° |
| N1 | C15 | H5 | 117.9° | 119.9° |
| C16 | C4 | C3 | 118.3° | 119.7° |
| C16 | C4 | C5 | 118.1° | 118.2° |
| C2 | C3 | C4 | 121.1° | 119.6° |
| C2 | C3 | H11 | 119.4° | 120.2° |
| C3 | C2 | H12 | 119.9° | 119.6° |
| N1 | C14 | C5 | 125.1° | 121.6° |
| N1 | C14 | H10 | 117.4° | 119.2° |
| C3 | C4 | C5 | 123.5° | 122.1° |
| C4 | C3 | H11 | 119.4° | 120.2° |
| C4 | C5 | C14 | 117.3° | 118.5° |
| C4 | C5 | N | 117.9° | 120.8° |
| C14 | C5 | N | 124.6° | 120.8° |
| C5 | C14 | H10 | 117.4° | 119.2° |
| C5 | N | C6 | 128.0° | 120.0° |
| C5 | N | H9 | 116.0° | 120.0° |
| N | C6 | C7 | 114.4° | 120.0° |
| N | C6 | O3 | 123.7° | 120.0° |
| C6 | N | H9 | 116.0° | 120.1° |
| C7 | C6 | O3 | 121.8° | 120.0° |
| C6 | C7 | C8 | 112.3° | 109.5° |
| C6 | C7 | H1 | 108.8° | 109.5° |
| C6 | C7 | H2 | 108.8° | 109.5° |
| C7 | C8 | C13 | 120.0° | 120.0° |
| C7 | C8 | C9 | 121.0° | 120.0° |
| C8 | C7 | H1 | 108.7° | 109.4° |
| C8 | C7 | H2 | 108.8° | 109.5° |
| C13 | C8 | C9 | 118.8° | 120.0° |
| C8 | C13 | C12 | 119.7° | 120.0° |
| C8 | C13 | H4 | 120.2° | 120.0° |
| C8 | C9 | C10 | 120.9° | 120.0° |
| C8 | C9 | H8 | 119.5° | 120.0° |
| C13 | C12 | CL | 118.8° | 120.1° |
| C13 | C12 | C11 | 121.8° | 120.0° |
| C12 | C13 | H4 | 120.2° | 120.0° |
| C9 | C10 | C11 | 120.2° | 120.1° |
| C9 | C10 | H3 | 119.9° | 120.0° |
| C10 | C9 | H8 | 119.6° | 120.0° |
| CL | C12 | C11 | 119.3° | 120.0° |
| C12 | C11 | C10 | 118.6° | 120.0° |
| C12 | C11 | H7 | 120.7° | 120.0° |
| C11 | C10 | H3 | 119.9° | 120.0° |
| C10 | C11 | H7 | 120.7° | 120.0° |
| H1 | C7 | H2 | 109.5° | 109.4° |
| H13 | C | H14 | 109.5° | 109.5° |
| H13 | C | H15 | 109.4° | 109.4° |
| H14 | C | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | S | O2 | C1 | 162.4° | 75.0° |
| C | S | O2 | O | 115.2° | 116.1° |
| C | S | O2 | O1 | 115.7° | 116.1° |
| C | S | O | O1 | 127.9° | 131.5° |
| S | C | H13 | H14 | 120.0° | 120.0° |
| S | C | H13 | H15 | 120.0° | 120.0° |
| S | C | H14 | H15 | 120.0° | 120.0° |
| C1 | O2 | S | O | 82.5° | 168.9° |
| O2 | C1 | C17 | C2 | 173.9° | 179.9° |
| O2 | C1 | C17 | C16 | 170.5° | 179.9° |
| C1 | O2 | S | O1 | 46.7° | 41.1° |
| O2 | C1 | C2 | C3 | 171.7° | 180.0° |
| O2 | C1 | C17 | H6 | 9.5° | 0.0° |
| O2 | C1 | C2 | H12 | 8.2° | 0.0° |
| O2 | S | O | O1 | 121.7° | 116.7° |
| S | O2 | C1 | C17 | 66.2° | 90.0° |
| S | O2 | C1 | C2 | 119.7° | 90.0° |
| O2 | S | C | H13 | 180.0° | 60.0° |
| O2 | S | C | H14 | 60.0° | 180.0° |
| O2 | S | C | H15 | 60.0° | 60.0° |
| O | S | C | H13 | 67.3° | 51.6° |
| O | S | C | H14 | 52.7° | 68.4° |
| O | S | C | H15 | 172.7° | 171.6° |
| C1 | C17 | C16 | H6 | 180.0° | 179.9° |
| C1 | C17 | C16 | C15 | 174.7° | 180.0° |
| C1 | C17 | C16 | C4 | 2.0° | 0.1° |
| C17 | C1 | C2 | C3 | 2.3° | 0.0° |
| C17 | C1 | C2 | H12 | 177.7° | 179.9° |
| C2 | C1 | C17 | C16 | 3.4° | 0.0° |
| C1 | C2 | C3 | H12 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.3° | 0.0° |
| C2 | C1 | C17 | H6 | 176.6° | 179.9° |
| C1 | C2 | C3 | H11 | 179.8° | 180.0° |
| C17 | C16 | C15 | C4 | 176.7° | 179.9° |
| C17 | C16 | C15 | N1 | 175.6° | 179.9° |
| C17 | C16 | C4 | C3 | 0.5° | 0.1° |
| C17 | C16 | C4 | C5 | 177.3° | 180.0° |
| C17 | C16 | C15 | H5 | 4.4° | 0.0° |
| O1 | S | C | H13 | 66.0° | 171.6° |
| O1 | S | C | H14 | 174.0° | 68.4° |
| O1 | S | C | H15 | 54.0° | 51.6° |
| C16 | C15 | N1 | H5 | 180.0° | 179.9° |
| C16 | C15 | N1 | C14 | 1.2° | 0.0° |
| C15 | C16 | C4 | C3 | 177.3° | 180.0° |
| C15 | C16 | C4 | C5 | 0.5° | 0.1° |
| C15 | C16 | C17 | H6 | 5.3° | 0.1° |
| N1 | C15 | C16 | C4 | 1.1° | 0.0° |
| C15 | N1 | C14 | C5 | 0.3° | 0.1° |
| C15 | N1 | C14 | H10 | 179.7° | 180.0° |
| C16 | C4 | C3 | C2 | 1.6° | 0.1° |
| C16 | C4 | C3 | C5 | 177.7° | 179.9° |
| C16 | C4 | C5 | C14 | 1.8° | 0.1° |
| C16 | C4 | C5 | N | 172.8° | 179.9° |
| C4 | C16 | C15 | H5 | 178.9° | 179.9° |
| C4 | C16 | C17 | H6 | 178.0° | 180.0° |
| C16 | C4 | C3 | H11 | 178.4° | 179.9° |
| C2 | C3 | C4 | H11 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 176.1° | 180.0° |
| N1 | C14 | C5 | C4 | 1.9° | 0.1° |
| N1 | C14 | C5 | H10 | 180.0° | 179.9° |
| N1 | C14 | C5 | N | 172.3° | 179.9° |
| C14 | N1 | C15 | H5 | 178.8° | 179.9° |
| C3 | C4 | C5 | C14 | 175.8° | 180.0° |
| C3 | C4 | C5 | N | 9.6° | 0.0° |
| C4 | C3 | C2 | H12 | 179.7° | 180.0° |
| C4 | C5 | C14 | N | 174.2° | 180.0° |
| C4 | C5 | N | C6 | 78.2° | 155.2° |
| C4 | C5 | N | H9 | 101.8° | 24.7° |
| C4 | C5 | C14 | H10 | 178.2° | 180.0° |
| C5 | C4 | C3 | H11 | 3.9° | 0.0° |
| C14 | C5 | N | C6 | 96.0° | 24.8° |
| C14 | C5 | N | H9 | 84.0° | 155.3° |
| C5 | N | C6 | H9 | 180.0° | 179.9° |
| C5 | N | C6 | C7 | 161.0° | 174.5° |
| C5 | N | C6 | O3 | 15.2° | 5.5° |
| N | C5 | C14 | H10 | 7.7° | 0.0° |
| N | C6 | C7 | O3 | 176.3° | 180.0° |
| N | C6 | C7 | C8 | 147.6° | 180.0° |
| N | C6 | C7 | H1 | 92.0° | 60.0° |
| N | C6 | C7 | H2 | 27.2° | 60.0° |
| C6 | C7 | C8 | H1 | 120.4° | 120.1° |
| C6 | C7 | C8 | H2 | 120.4° | 120.0° |
| C6 | C7 | C8 | C13 | 75.6° | 90.0° |
| C6 | C7 | C8 | C9 | 99.8° | 90.2° |
| C6 | C7 | H1 | H2 | 118.7° | 120.0° |
| C7 | C6 | N | H9 | 19.0° | 5.6° |
| O3 | C6 | C7 | C8 | 36.1° | 0.0° |
| O3 | C6 | C7 | H1 | 84.3° | 120.0° |
| O3 | C6 | C7 | H2 | 156.5° | 120.0° |
| O3 | C6 | N | H9 | 164.8° | 174.4° |
| C7 | C8 | C13 | C9 | 175.4° | 179.8° |
| C7 | C8 | C13 | C12 | 172.6° | 180.0° |
| C7 | C8 | C9 | C10 | 173.2° | 179.8° |
| C8 | C7 | H1 | H2 | 118.7° | 119.9° |
| C7 | C8 | C13 | H4 | 7.4° | 0.0° |
| C7 | C8 | C9 | H8 | 6.8° | 0.1° |
| C8 | C13 | C12 | H4 | 180.0° | 180.0° |
| C13 | C8 | C9 | C10 | 2.1° | 0.4° |
| C8 | C13 | C12 | CL | 176.9° | 180.0° |
| C8 | C13 | C12 | C11 | 1.4° | 0.0° |
| C13 | C8 | C7 | H1 | 164.0° | 30.1° |
| C13 | C8 | C7 | H2 | 44.9° | 150.0° |
| C13 | C8 | C9 | H8 | 177.9° | 179.7° |
| C9 | C8 | C13 | C12 | 2.8° | 0.2° |
| C8 | C9 | C10 | H8 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.1° | 0.4° |
| C9 | C8 | C7 | H1 | 20.7° | 149.7° |
| C9 | C8 | C7 | H2 | 139.8° | 29.8° |
| C8 | C9 | C10 | H3 | 179.9° | 179.8° |
| C9 | C8 | C13 | H4 | 177.2° | 179.8° |
| C13 | C12 | CL | C11 | 178.3° | 180.0° |
| C13 | C12 | C11 | C10 | 0.8° | 0.0° |
| C13 | C12 | C11 | H7 | 179.2° | 179.7° |
| C9 | C10 | C11 | C12 | 1.5° | 0.2° |
| C9 | C10 | C11 | H3 | 180.0° | 179.8° |
| C9 | C10 | C11 | H7 | 178.4° | 180.0° |
| CL | C12 | C11 | C10 | 179.1° | 180.0° |
| CL | C12 | C13 | H4 | 3.1° | 0.1° |
| CL | C12 | C11 | H7 | 0.9° | 0.3° |
| C12 | C11 | C10 | H7 | 180.0° | 179.8° |
| C12 | C11 | C10 | H3 | 178.5° | 180.0° |
| C11 | C12 | C13 | H4 | 178.6° | 180.0° |
| C11 | C10 | C9 | H8 | 179.9° | 179.7° |
| H3 | C10 | C11 | H7 | 1.6° | 0.2° |
| H3 | C10 | C9 | H8 | 0.1° | 0.1° |
| H11 | C3 | C2 | H12 | 0.2° | 0.0° |
| H13 | C | H14 | H15 | 119.9° | 120.0° |
