L6O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F11 | C10 | sing | 1.35Å | 1.31Å | |
| C12 | C10 | doub | 1.38Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.42Å | Aromatic |
| C13 | C07 | doub | 1.39Å | 1.42Å | Aromatic |
| C09 | C08 | doub | 1.38Å | 1.40Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.40Å | Aromatic |
| C07 | N06 | sing | 1.40Å | 1.41Å | |
| S14 | C05 | sing | 1.77Å | 1.88Å | |
| S14 | C02 | sing | 1.82Å | 1.91Å | |
| N06 | C05 | sing | 1.38Å | 1.38Å | |
| C05 | N04 | doub | 1.28Å | 1.28Å | |
| C01 | C02 | sing | 1.53Å | 1.49Å | |
| N04 | C03 | sing | 1.45Å | 1.48Å | |
| C02 | C03 | sing | 1.54Å | 1.53Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.08Å | 1.08Å | |
| C09 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| N06 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F11 | C10 | C12 | 120.3° | 119.9° |
| F11 | C10 | C09 | 119.8° | 119.9° |
| C10 | C12 | C13 | 118.6° | 120.0° |
| C12 | C10 | C09 | 119.9° | 120.2° |
| C10 | C12 | H9 | 120.7° | 120.0° |
| C12 | C13 | C07 | 121.8° | 120.0° |
| C13 | C12 | H9 | 120.7° | 120.0° |
| C12 | C13 | H10 | 119.1° | 120.0° |
| C10 | C09 | C08 | 120.0° | 120.0° |
| C10 | C09 | H8 | 120.0° | 120.0° |
| C13 | C07 | C08 | 118.8° | 119.9° |
| C13 | C07 | N06 | 120.8° | 120.1° |
| C07 | C13 | H10 | 119.1° | 120.0° |
| C09 | C08 | C07 | 120.6° | 120.0° |
| C09 | C08 | H7 | 119.7° | 120.0° |
| C08 | C09 | H8 | 120.0° | 120.0° |
| C08 | C07 | N06 | 119.6° | 120.0° |
| C07 | C08 | H7 | 119.7° | 120.1° |
| C07 | N06 | C05 | 129.4° | 120.0° |
| C07 | N06 | H11 | 115.3° | 120.1° |
| C05 | S14 | C02 | 88.4° | 95.7° |
| S14 | C05 | N06 | 115.6° | 125.0° |
| S14 | C05 | N04 | 112.1° | 110.0° |
| S14 | C02 | C01 | 112.1° | 110.7° |
| S14 | C02 | C03 | 103.1° | 103.2° |
| S14 | C02 | H4 | 106.2° | 110.8° |
| N06 | C05 | N04 | 132.2° | 125.0° |
| C05 | N06 | H11 | 115.3° | 120.0° |
| C05 | N04 | C03 | 117.7° | 119.8° |
| C01 | C02 | C03 | 113.6° | 110.7° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 110.9° | 110.6° |
| N04 | C03 | C02 | 109.3° | 111.3° |
| N04 | C03 | H5 | 109.5° | 109.2° |
| N04 | C03 | H6 | 109.5° | 109.0° |
| C03 | C02 | H4 | 110.5° | 110.7° |
| C02 | C03 | H5 | 109.5° | 109.1° |
| C02 | C03 | H6 | 109.5° | 109.2° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H5 | C03 | H6 | 109.5° | 109.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F11 | C10 | C12 | C09 | 179.1° | 180.0° |
| F11 | C10 | C12 | C13 | 179.0° | 179.7° |
| F11 | C10 | C09 | C08 | 179.1° | 180.0° |
| F11 | C10 | C09 | H8 | 0.9° | 0.0° |
| F11 | C10 | C12 | H9 | 1.0° | 0.1° |
| C10 | C12 | C13 | H9 | 180.0° | 179.8° |
| C10 | C12 | C13 | C07 | 3.1° | 0.6° |
| C12 | C10 | C09 | C08 | 0.0° | 0.0° |
| C12 | C10 | C09 | H8 | 180.0° | 180.0° |
| C10 | C12 | C13 | H10 | 176.9° | 180.0° |
| C13 | C12 | C10 | C09 | 0.1° | 0.3° |
| C12 | C13 | C07 | H10 | 180.0° | 179.5° |
| C12 | C13 | C07 | C08 | 5.9° | 0.5° |
| C12 | C13 | C07 | N06 | 175.6° | 179.7° |
| C10 | C09 | C08 | H8 | 180.0° | 180.0° |
| C10 | C09 | C08 | C07 | 2.9° | 0.0° |
| C10 | C09 | C08 | H7 | 177.1° | 180.0° |
| C09 | C10 | C12 | H9 | 179.9° | 179.9° |
| C13 | C07 | C08 | C09 | 5.8° | 0.2° |
| C13 | C07 | C08 | N06 | 169.8° | 179.8° |
| C13 | C07 | N06 | C05 | 50.4° | 30.5° |
| C13 | C07 | C08 | H7 | 174.2° | 179.8° |
| C07 | C13 | C12 | H9 | 176.9° | 179.7° |
| C13 | C07 | N06 | H11 | 129.6° | 149.5° |
| C09 | C08 | C07 | H7 | 180.0° | 180.0° |
| C09 | C08 | C07 | N06 | 175.6° | 180.0° |
| C08 | C07 | N06 | C05 | 139.9° | 149.7° |
| C07 | C08 | C09 | H8 | 177.1° | 180.0° |
| C08 | C07 | C13 | H10 | 174.1° | 180.0° |
| C08 | C07 | N06 | H11 | 40.1° | 30.3° |
| C07 | N06 | C05 | S14 | 9.2° | 174.5° |
| C07 | N06 | C05 | H11 | 180.0° | 180.0° |
| C07 | N06 | C05 | N04 | 173.3° | 5.5° |
| N06 | C07 | C08 | H7 | 4.4° | 0.0° |
| N06 | C07 | C13 | H10 | 4.3° | 0.2° |
| S14 | C05 | N06 | N04 | 177.5° | 180.0° |
| C05 | S14 | C02 | C01 | 148.8° | 118.4° |
| S14 | C05 | N04 | C03 | 1.3° | 0.0° |
| C05 | S14 | C02 | C03 | 26.3° | 0.0° |
| C05 | S14 | C02 | H4 | 89.9° | 118.5° |
| S14 | C05 | N06 | H11 | 170.8° | 5.5° |
| C02 | S14 | C05 | N06 | 160.8° | 180.0° |
| C02 | S14 | C05 | N04 | 17.2° | 0.0° |
| S14 | C02 | C01 | C03 | 116.3° | 113.8° |
| S14 | C02 | C01 | H4 | 118.5° | 123.2° |
| S14 | C02 | C03 | N04 | 30.6° | 0.0° |
| S14 | C02 | C03 | H4 | 113.1° | 118.6° |
| S14 | C02 | C01 | H1 | 180.0° | 53.8° |
| S14 | C02 | C01 | H2 | 60.0° | 66.2° |
| S14 | C02 | C01 | H3 | 60.0° | 173.9° |
| S14 | C02 | C03 | H5 | 150.6° | 120.5° |
| S14 | C02 | C03 | H6 | 89.3° | 120.4° |
| N06 | C05 | N04 | C03 | 176.3° | 180.0° |
| C05 | N04 | C03 | C02 | 20.9° | 0.0° |
| C05 | N04 | C03 | H5 | 140.9° | 120.5° |
| C05 | N04 | C03 | H6 | 99.1° | 120.5° |
| N04 | C05 | N06 | H11 | 6.7° | 174.5° |
| C01 | C02 | C03 | N04 | 152.1° | 118.5° |
| C01 | C02 | C03 | H4 | 125.4° | 123.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C03 | H5 | 87.9° | 2.1° |
| C01 | C02 | C03 | H6 | 32.1° | 121.2° |
| N04 | C03 | C02 | H5 | 120.0° | 120.5° |
| N04 | C03 | C02 | H6 | 120.0° | 120.4° |
| N04 | C03 | C02 | H4 | 82.5° | 118.6° |
| N04 | C03 | H5 | H6 | 120.1° | 119.0° |
| C03 | C02 | C01 | H1 | 63.7° | 60.0° |
| C03 | C02 | C01 | H2 | 56.3° | 180.0° |
| C03 | C02 | C01 | H3 | 176.3° | 60.0° |
| C02 | C03 | H5 | H6 | 120.1° | 119.2° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 61.5° | 177.0° |
| H2 | C01 | C02 | H4 | 178.5° | 57.0° |
| H3 | C01 | C02 | H4 | 58.5° | 63.0° |
| H4 | C02 | C03 | H5 | 37.5° | 120.9° |
| H4 | C02 | C03 | H6 | 157.5° | 1.8° |
| H7 | C08 | C09 | H8 | 3.0° | 0.0° |
| H9 | C12 | C13 | H10 | 3.1° | 0.2° |
