RLI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | N10 | sing | 1.39Å | 1.35Å | |
| N10 | C12 | sing | 1.35Å | 1.31Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| O10 | C12 | doub | 1.21Å | 1.04Å | |
| C17 | S10 | sing | 1.76Å | 1.65Å | Aromatic |
| S10 | C14 | sing | 1.76Å | 1.62Å | Aromatic |
| C13 | C11 | sing | 1.53Å | 1.45Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C15 | N11 | sing | 1.32Å | 1.33Å | Aromatic |
| N11 | C14 | doub | 1.30Å | 1.29Å | Aromatic |
| C25 | O11 | sing | 1.35Å | 1.18Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å | |
| S11 | C20 | sing | 1.76Å | 1.63Å | Aromatic |
| S11 | C19 | sing | 1.76Å | 1.65Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C20 | N12 | doub | 1.30Å | 1.28Å | Aromatic |
| N12 | C18 | sing | 1.33Å | 1.32Å | Aromatic |
| O12 | C25 | doub | 1.21Å | 1.17Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| N13 | C21 | sing | 1.39Å | 1.44Å | |
| N13 | C20 | sing | 1.39Å | 1.36Å | |
| N13 | HN13 | sing | 0.97Å | 1.00Å | |
| C17 | C15 | doub | 1.35Å | 1.35Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.46Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C18 | C17 | sing | 1.48Å | 1.57Å | |
| C19 | C18 | doub | 1.35Å | 1.40Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C27 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.41Å | Aromatic |
| C22 | C23 | doub | 1.37Å | 1.38Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | C23 | sing | 1.40Å | 1.43Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C26 | C24 | doub | 1.40Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.47Å | 1.50Å | |
| C27 | C26 | sing | 1.37Å | 1.40Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | N10 | C12 | 126.1° | 120.0° |
| C14 | N10 | HN10 | 116.9° | 120.0° |
| N10 | C14 | S10 | 123.1° | 125.3° |
| N10 | C14 | N11 | 122.2° | 125.3° |
| C12 | N10 | HN10 | 117.0° | 120.0° |
| N10 | C12 | O10 | 122.9° | 120.0° |
| N10 | C12 | C13 | 115.7° | 120.0° |
| O10 | C12 | C13 | 121.4° | 120.0° |
| C17 | S10 | C14 | 89.5° | 89.9° |
| S10 | C17 | C15 | 112.4° | 108.2° |
| S10 | C17 | C18 | 122.0° | 125.9° |
| S10 | C14 | N11 | 114.7° | 109.3° |
| C13 | C11 | H11 | 109.5° | 109.5° |
| C13 | C11 | H11A | 109.5° | 109.5° |
| C13 | C11 | H11B | 109.5° | 109.5° |
| C11 | C13 | C12 | 113.9° | 109.4° |
| C11 | C13 | H13 | 108.4° | 109.4° |
| C11 | C13 | H13A | 108.4° | 109.5° |
| H11 | C11 | H11A | 109.5° | 109.5° |
| H11 | C11 | H11B | 109.5° | 109.4° |
| H11A | C11 | H11B | 109.5° | 109.5° |
| C15 | N11 | C14 | 112.8° | 117.1° |
| N11 | C15 | C17 | 110.6° | 115.5° |
| N11 | C15 | C16 | 121.1° | 122.2° |
| C25 | O11 | HO11 | 109.5° | 117.0° |
| O11 | C25 | O12 | 123.6° | 120.0° |
| O11 | C25 | C24 | 117.9° | 120.0° |
| C20 | S11 | C19 | 92.0° | 90.1° |
| S11 | C20 | N12 | 114.2° | 109.5° |
| S11 | C20 | N13 | 122.2° | 125.2° |
| S11 | C19 | C18 | 108.9° | 108.3° |
| S11 | C19 | H19 | 125.5° | 125.8° |
| C12 | C13 | H13 | 108.4° | 109.5° |
| C12 | C13 | H13A | 108.3° | 109.5° |
| C20 | N12 | C18 | 113.2° | 116.9° |
| N12 | C20 | N13 | 123.7° | 125.3° |
| N12 | C18 | C17 | 125.4° | 122.4° |
| N12 | C18 | C19 | 111.7° | 115.2° |
| O12 | C25 | C24 | 118.0° | 120.0° |
| H13 | C13 | H13A | 109.4° | 109.5° |
| C21 | N13 | C20 | 127.6° | 120.0° |
| C21 | N13 | HN13 | 116.2° | 120.0° |
| N13 | C21 | C27 | 118.6° | 119.9° |
| N13 | C21 | C22 | 121.7° | 119.9° |
| C20 | N13 | HN13 | 116.1° | 120.0° |
| C17 | C15 | C16 | 128.2° | 122.3° |
| C15 | C17 | C18 | 125.6° | 125.9° |
| C15 | C16 | H16 | 109.5° | 109.5° |
| C15 | C16 | H16A | 109.5° | 109.5° |
| C15 | C16 | H16B | 109.5° | 109.5° |
| H16 | C16 | H16A | 109.5° | 109.5° |
| H16 | C16 | H16B | 109.4° | 109.5° |
| H16A | C16 | H16B | 109.5° | 109.4° |
| C17 | C18 | C19 | 122.8° | 122.4° |
| C18 | C19 | H19 | 125.6° | 125.8° |
| C27 | C21 | C22 | 119.7° | 120.1° |
| C21 | C27 | C26 | 120.1° | 120.1° |
| C21 | C27 | H27 | 119.9° | 119.9° |
| C21 | C22 | C23 | 120.1° | 120.1° |
| C21 | C22 | H22 | 119.9° | 120.0° |
| C23 | C22 | H22 | 119.9° | 120.0° |
| C22 | C23 | C24 | 120.7° | 120.0° |
| C22 | C23 | H23 | 119.6° | 120.1° |
| C24 | C23 | H23 | 119.7° | 120.0° |
| C23 | C24 | C26 | 118.5° | 119.8° |
| C23 | C24 | C25 | 121.0° | 120.1° |
| C26 | C24 | C25 | 120.3° | 120.1° |
| C24 | C26 | C27 | 120.8° | 119.9° |
| C24 | C26 | H26 | 119.6° | 120.0° |
| C27 | C26 | H26 | 119.6° | 120.1° |
| C26 | C27 | H27 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | N10 | C12 | HN10 | 180.0° | 179.7° |
| C14 | N10 | C12 | O10 | 1.3° | 0.3° |
| N10 | C14 | S10 | C17 | 179.8° | 180.0° |
| N10 | C14 | S10 | N11 | 178.3° | 180.0° |
| N10 | C14 | N11 | C15 | 179.9° | 180.0° |
| C14 | N10 | C12 | C13 | 178.6° | 179.8° |
| N10 | C12 | O10 | C13 | 179.9° | 179.9° |
| C12 | N10 | C14 | S10 | 2.1° | 180.0° |
| N10 | C12 | C13 | C11 | 113.0° | 180.0° |
| C12 | N10 | C14 | N11 | 176.1° | 0.0° |
| N10 | C12 | C13 | H13 | 7.6° | 60.1° |
| N10 | C12 | C13 | H13A | 126.3° | 60.0° |
| HN10 | N10 | C12 | O10 | 178.7° | 180.0° |
| HN10 | N10 | C14 | S10 | 177.9° | 0.3° |
| HN10 | N10 | C14 | N11 | 3.9° | 179.7° |
| HN10 | N10 | C12 | C13 | 1.4° | 0.1° |
| O10 | C12 | C13 | C11 | 67.1° | 0.0° |
| O10 | C12 | C13 | H13 | 172.2° | 120.0° |
| O10 | C12 | C13 | H13A | 53.6° | 119.9° |
| S10 | C17 | C15 | N11 | 1.1° | 0.0° |
| C17 | S10 | C14 | N11 | 1.9° | 0.0° |
| S10 | C17 | C18 | N12 | 176.7° | 180.0° |
| S10 | C17 | C15 | C18 | 178.1° | 180.0° |
| S10 | C17 | C15 | C16 | 178.5° | 180.0° |
| S10 | C17 | C18 | C19 | 2.7° | 0.0° |
| S10 | C14 | N11 | C15 | 1.6° | 0.0° |
| C14 | S10 | C17 | C15 | 1.6° | 0.0° |
| C14 | S10 | C17 | C18 | 176.5° | 180.0° |
| C13 | C11 | H11 | H11A | 120.0° | 120.0° |
| C13 | C11 | H11 | H11B | 120.0° | 120.0° |
| C13 | C11 | H11A | H11B | 120.0° | 120.1° |
| C11 | C13 | C12 | H13 | 120.7° | 119.9° |
| C11 | C13 | C12 | H13A | 120.7° | 120.0° |
| C11 | C13 | H13 | H13A | 118.0° | 120.0° |
| H11 | C11 | H11A | H11B | 120.0° | 120.0° |
| H11 | C11 | C13 | C12 | 180.0° | 180.0° |
| H11 | C11 | C13 | H13 | 59.3° | 60.0° |
| H11 | C11 | C13 | H13A | 59.3° | 60.0° |
| H11A | C11 | C13 | C12 | 60.0° | 60.0° |
| H11A | C11 | C13 | H13 | 60.7° | 60.0° |
| H11A | C11 | C13 | H13A | 179.3° | 180.0° |
| H11B | C11 | C13 | C12 | 60.0° | 60.1° |
| H11B | C11 | C13 | H13 | 179.3° | 180.0° |
| H11B | C11 | C13 | H13A | 60.7° | 59.9° |
| N11 | C15 | C17 | C16 | 179.6° | 180.0° |
| N11 | C15 | C16 | H16 | 0.0° | 89.9° |
| N11 | C15 | C16 | H16A | 120.0° | 150.0° |
| N11 | C15 | C16 | H16B | 120.0° | 30.1° |
| N11 | C15 | C17 | C18 | 177.0° | 179.9° |
| C14 | N11 | C15 | C17 | 0.3° | 0.0° |
| C14 | N11 | C15 | C16 | 179.9° | 180.0° |
| O11 | C25 | O12 | C24 | 172.0° | 180.0° |
| O11 | C25 | C24 | C23 | 55.1° | 180.0° |
| O11 | C25 | C24 | C26 | 129.7° | 0.1° |
| HO11 | O11 | C25 | O12 | 0.0° | 0.1° |
| HO11 | O11 | C25 | C24 | 172.0° | 179.9° |
| S11 | C20 | N12 | N13 | 179.7° | 179.9° |
| S11 | C20 | N12 | C18 | 0.1° | 0.0° |
| S11 | C20 | N13 | C21 | 179.2° | 6.3° |
| S11 | C20 | N13 | HN13 | 0.8° | 173.7° |
| C20 | S11 | C19 | C18 | 0.6° | 0.0° |
| C20 | S11 | C19 | H19 | 179.4° | 179.9° |
| C19 | S11 | C20 | N12 | 0.5° | 0.0° |
| S11 | C19 | C18 | N12 | 0.7° | 0.0° |
| C19 | S11 | C20 | N13 | 179.3° | 179.9° |
| S11 | C19 | C18 | C17 | 179.9° | 179.9° |
| S11 | C19 | C18 | H19 | 180.0° | 180.0° |
| C12 | C13 | H13 | H13A | 118.0° | 120.1° |
| N12 | C20 | N13 | C21 | 0.5° | 173.6° |
| N12 | C20 | N13 | HN13 | 179.5° | 6.4° |
| C20 | N12 | C18 | C17 | 179.7° | 179.9° |
| C20 | N12 | C18 | C19 | 0.4° | 0.0° |
| C18 | N12 | C20 | N13 | 179.6° | 179.9° |
| N12 | C18 | C17 | C15 | 5.4° | 0.1° |
| N12 | C18 | C17 | C19 | 179.3° | 179.9° |
| N12 | C18 | C19 | H19 | 179.4° | 179.9° |
| O12 | C25 | C24 | C23 | 132.5° | 0.0° |
| O12 | C25 | C24 | C26 | 42.8° | 179.9° |
| C21 | N13 | C20 | HN13 | 180.0° | 179.9° |
| N13 | C21 | C27 | C22 | 177.8° | 179.7° |
| N13 | C21 | C22 | C23 | 177.6° | 180.0° |
| N13 | C21 | C22 | H22 | 2.4° | 0.0° |
| N13 | C21 | C27 | C26 | 177.4° | 179.8° |
| N13 | C21 | C27 | H27 | 2.6° | 0.0° |
| C20 | N13 | C21 | C27 | 169.8° | 36.4° |
| C20 | N13 | C21 | C22 | 7.9° | 143.9° |
| HN13 | N13 | C21 | C27 | 10.2° | 143.7° |
| HN13 | N13 | C21 | C22 | 172.1° | 36.0° |
| C17 | C15 | C16 | H16 | 179.5° | 90.1° |
| C17 | C15 | C16 | H16A | 60.5° | 30.0° |
| C17 | C15 | C16 | H16B | 59.5° | 149.9° |
| C15 | C17 | C18 | C19 | 175.3° | 180.0° |
| C15 | C16 | H16 | H16A | 120.0° | 120.1° |
| C15 | C16 | H16 | H16B | 120.0° | 120.0° |
| C15 | C16 | H16A | H16B | 120.0° | 120.0° |
| C16 | C15 | C17 | C18 | 3.4° | 0.1° |
| H16 | C16 | H16A | H16B | 120.0° | 119.9° |
| C17 | C18 | C19 | H19 | 0.1° | 0.0° |
| C27 | C21 | C22 | C23 | 0.1° | 0.3° |
| C27 | C21 | C22 | H22 | 179.9° | 179.7° |
| C21 | C27 | C26 | C24 | 0.3° | 0.5° |
| C21 | C27 | C26 | H27 | 180.0° | 179.7° |
| C21 | C27 | C26 | H26 | 179.7° | 179.7° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.3° | 0.0° |
| C21 | C22 | C23 | H23 | 179.8° | 179.9° |
| C22 | C21 | C27 | C26 | 0.4° | 0.5° |
| C22 | C21 | C27 | H27 | 179.6° | 179.7° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C26 | 0.3° | 0.0° |
| C22 | C23 | C24 | C25 | 175.7° | 179.9° |
| H22 | C22 | C23 | C24 | 179.8° | 180.0° |
| H22 | C22 | C23 | H23 | 0.2° | 0.0° |
| C23 | C24 | C26 | C25 | 175.4° | 179.9° |
| C23 | C24 | C26 | C27 | 0.0° | 0.2° |
| C23 | C24 | C26 | H26 | 180.0° | 180.0° |
| H23 | C23 | C24 | C26 | 179.7° | 180.0° |
| H23 | C23 | C24 | C25 | 4.4° | 0.1° |
| C24 | C26 | C27 | H26 | 180.0° | 179.9° |
| C24 | C26 | C27 | H27 | 179.7° | 179.8° |
| C25 | C24 | C26 | C27 | 175.4° | 179.7° |
| C25 | C24 | C26 | H26 | 4.6° | 0.1° |
| H26 | C26 | C27 | H27 | 0.3° | 0.0° |
