JL7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S06 | C05 | sing | 1.71Å | 1.68Å | Aromatic |
| S06 | C07 | sing | 1.76Å | 1.72Å | Aromatic |
| C05 | C04 | doub | 1.36Å | 1.30Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.30Å | Aromatic |
| C10 | C09 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.35Å | Aromatic |
| O01 | C02 | doub | 1.22Å | 1.18Å | |
| F17 | C15 | sing | 1.40Å | 1.28Å | |
| C07 | C09 | sing | 1.48Å | 1.47Å | |
| C07 | N08 | doub | 1.30Å | 1.29Å | Aromatic |
| C04 | C02 | sing | 1.47Å | 1.47Å | |
| C04 | N08 | sing | 1.33Å | 1.40Å | Aromatic |
| C09 | C14 | doub | 1.40Å | 1.38Å | Aromatic |
| F16 | C15 | sing | 1.40Å | 1.34Å | |
| C02 | O03 | sing | 1.35Å | 1.19Å | |
| C12 | C15 | sing | 1.51Å | 1.46Å | |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | F18 | sing | 1.40Å | 1.35Å | |
| C14 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| O03 | H1 | sing | 0.97Å | 0.95Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C05 | S06 | C07 | 89.3° | 90.7° |
| S06 | C05 | C04 | 111.8° | 109.0° |
| S06 | C05 | H051 | 124.1° | 125.5° |
| S06 | C07 | C09 | 115.6° | 125.2° |
| S06 | C07 | N08 | 113.9° | 109.6° |
| C05 | C04 | C02 | 122.2° | 122.5° |
| C05 | C04 | N08 | 114.9° | 114.9° |
| C04 | C05 | H051 | 124.1° | 125.5° |
| C11 | C10 | C09 | 124.7° | 119.9° |
| C10 | C11 | C12 | 121.9° | 120.1° |
| C11 | C10 | H101 | 117.6° | 120.1° |
| C10 | C11 | H111 | 119.0° | 120.0° |
| C10 | C09 | C07 | 119.4° | 120.1° |
| C10 | C09 | C14 | 114.2° | 119.7° |
| C09 | C10 | H101 | 117.7° | 120.1° |
| C11 | C12 | C15 | 118.1° | 119.8° |
| C11 | C12 | C13 | 118.0° | 120.3° |
| C12 | C11 | H111 | 119.1° | 119.9° |
| O01 | C02 | C04 | 115.0° | 120.0° |
| O01 | C02 | O03 | 129.5° | 120.0° |
| F17 | C15 | F16 | 97.5° | 109.5° |
| F17 | C15 | C12 | 118.8° | 109.5° |
| F17 | C15 | F18 | 103.2° | 109.4° |
| C09 | C07 | N08 | 130.5° | 125.2° |
| C07 | C09 | C14 | 126.3° | 120.2° |
| C07 | N08 | C04 | 110.1° | 115.9° |
| C02 | C04 | N08 | 122.9° | 122.6° |
| C04 | C02 | O03 | 115.5° | 120.0° |
| C09 | C14 | C13 | 121.9° | 119.9° |
| C09 | C14 | H141 | 119.0° | 120.0° |
| F16 | C15 | C12 | 113.2° | 109.5° |
| F16 | C15 | F18 | 106.1° | 109.5° |
| C02 | O03 | H1 | 109.5° | 117.0° |
| C15 | C12 | C13 | 123.7° | 119.9° |
| C12 | C15 | F18 | 115.8° | 109.5° |
| C12 | C13 | C14 | 119.2° | 120.2° |
| C12 | C13 | H131 | 120.4° | 119.9° |
| C14 | C13 | H131 | 120.4° | 119.9° |
| C13 | C14 | H141 | 119.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S06 | C05 | C04 | H051 | 180.0° | 179.9° |
| C05 | S06 | C07 | C09 | 178.8° | 179.9° |
| C05 | S06 | C07 | N08 | 1.2° | 0.3° |
| S06 | C05 | C04 | C02 | 179.6° | 179.9° |
| S06 | C05 | C04 | N08 | 0.9° | 0.2° |
| C07 | S06 | C05 | C04 | 1.2° | 0.0° |
| S06 | C07 | C09 | C10 | 3.9° | 0.0° |
| S06 | C07 | C09 | N08 | 177.1° | 179.8° |
| S06 | C07 | N08 | C04 | 0.9° | 0.4° |
| S06 | C07 | C09 | C14 | 178.7° | 180.0° |
| C07 | S06 | C05 | H051 | 178.8° | 180.0° |
| C05 | C04 | C02 | O01 | 1.7° | 0.3° |
| C05 | C04 | N08 | C07 | 0.0° | 0.4° |
| C05 | C04 | C02 | N08 | 179.4° | 179.7° |
| C05 | C04 | C02 | O03 | 179.9° | 179.8° |
| C11 | C10 | C09 | H101 | 180.0° | 179.7° |
| C10 | C11 | C12 | H111 | 180.0° | 179.9° |
| C11 | C10 | C09 | C07 | 179.7° | 180.0° |
| C11 | C10 | C09 | C14 | 2.0° | 0.0° |
| C10 | C11 | C12 | C15 | 177.6° | 180.0° |
| C10 | C11 | C12 | C13 | 0.4° | 0.0° |
| C09 | C10 | C11 | C12 | 1.2° | 0.0° |
| C10 | C09 | C07 | C14 | 177.5° | 180.0° |
| C10 | C09 | C07 | N08 | 173.2° | 179.7° |
| C10 | C09 | C14 | C13 | 1.3° | 0.0° |
| C09 | C10 | C11 | H111 | 178.8° | 180.0° |
| C10 | C09 | C14 | H141 | 178.7° | 180.0° |
| C11 | C12 | C15 | F17 | 84.5° | 30.0° |
| C11 | C12 | C15 | F16 | 28.9° | 150.0° |
| C11 | C12 | C15 | C13 | 177.1° | 180.0° |
| C11 | C12 | C15 | F18 | 151.7° | 89.9° |
| C11 | C12 | C13 | C14 | 1.0° | 0.0° |
| C12 | C11 | C10 | H101 | 178.8° | 179.7° |
| C11 | C12 | C13 | H131 | 179.1° | 180.0° |
| O01 | C02 | C04 | O03 | 178.4° | 180.0° |
| O01 | C02 | C04 | N08 | 178.9° | 180.0° |
| O01 | C02 | O03 | H1 | 0.0° | 0.0° |
| F17 | C15 | F16 | C12 | 125.8° | 120.0° |
| F17 | C15 | F16 | F18 | 106.2° | 119.9° |
| F17 | C15 | C12 | F18 | 123.8° | 119.9° |
| F17 | C15 | C12 | C13 | 98.4° | 150.0° |
| C09 | C07 | N08 | C04 | 178.0° | 179.8° |
| C07 | C09 | C14 | C13 | 178.9° | 180.0° |
| C07 | C09 | C10 | H101 | 0.3° | 0.3° |
| C07 | C09 | C14 | H141 | 1.1° | 0.0° |
| C07 | N08 | C04 | C02 | 179.5° | 179.8° |
| N08 | C07 | C09 | C14 | 4.2° | 0.3° |
| C04 | C02 | O03 | H1 | 178.1° | 180.0° |
| C02 | C04 | C05 | H051 | 0.4° | 0.0° |
| N08 | C04 | C02 | O03 | 0.5° | 0.1° |
| N08 | C04 | C05 | H051 | 179.1° | 179.7° |
| C09 | C14 | C13 | C12 | 0.1° | 0.0° |
| C09 | C14 | C13 | H141 | 180.0° | 179.9° |
| C14 | C09 | C10 | H101 | 178.1° | 179.7° |
| C09 | C14 | C13 | H131 | 180.0° | 179.9° |
| F16 | C15 | C12 | F18 | 122.8° | 120.0° |
| F16 | C15 | C12 | C13 | 148.1° | 30.0° |
| C15 | C12 | C13 | C14 | 178.0° | 180.0° |
| C15 | C12 | C13 | H131 | 2.0° | 0.0° |
| C15 | C12 | C11 | H111 | 2.4° | 0.1° |
| C13 | C12 | C15 | F18 | 25.4° | 90.1° |
| C12 | C13 | C14 | H131 | 180.0° | 180.0° |
| C13 | C12 | C11 | H111 | 179.7° | 180.0° |
| C12 | C13 | C14 | H141 | 179.9° | 180.0° |
| H101 | C10 | C11 | H111 | 1.2° | 0.2° |
| H131 | C13 | C14 | H141 | 0.0° | 0.0° |
