L5X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C11 | sing | 1.36Å | 1.37Å | |
| C11 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C07 | doub | 1.39Å | 1.41Å | Aromatic |
| C09 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.40Å | Aromatic |
| C07 | N06 | sing | 1.40Å | 1.42Å | |
| S14 | C05 | sing | 1.77Å | 1.84Å | |
| S14 | C02 | sing | 1.82Å | 1.83Å | |
| N06 | C05 | sing | 1.38Å | 1.40Å | |
| C05 | N04 | doub | 1.28Å | 1.23Å | |
| C02 | C03 | sing | 1.54Å | 1.54Å | |
| C02 | C01 | sing | 1.53Å | 1.51Å | |
| N04 | C03 | sing | 1.45Å | 1.48Å | |
| 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 | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| N06 | H11 | sing | 0.97Å | 1.00Å | |
| O12 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C11 | C10 | 117.0° | 120.0° |
| O12 | C11 | C13 | 120.7° | 120.1° |
| C11 | O12 | H12 | 109.5° | 114.0° |
| C10 | C11 | C13 | 122.3° | 119.9° |
| C11 | C10 | C09 | 118.1° | 120.1° |
| C11 | C10 | H9 | 120.9° | 119.9° |
| C11 | C13 | C07 | 118.5° | 119.9° |
| C11 | C13 | H10 | 120.7° | 120.0° |
| C10 | C09 | C08 | 121.2° | 120.1° |
| C10 | C09 | H8 | 119.4° | 120.0° |
| C09 | C10 | H9 | 120.9° | 119.9° |
| C13 | C07 | C08 | 119.9° | 119.9° |
| C13 | C07 | N06 | 119.9° | 120.0° |
| C07 | C13 | H10 | 120.7° | 120.1° |
| C09 | C08 | C07 | 120.0° | 120.0° |
| C09 | C08 | H7 | 120.0° | 120.0° |
| C08 | C09 | H8 | 119.4° | 119.9° |
| C08 | C07 | N06 | 120.2° | 120.0° |
| C07 | C08 | H7 | 120.0° | 120.0° |
| C07 | N06 | C05 | 129.6° | 120.0° |
| C07 | N06 | H11 | 115.2° | 120.0° |
| C05 | S14 | C02 | 91.3° | 95.7° |
| S14 | C05 | N06 | 113.5° | 125.0° |
| S14 | C05 | N04 | 115.7° | 110.0° |
| S14 | C02 | C03 | 104.5° | 103.2° |
| S14 | C02 | C01 | 111.7° | 110.7° |
| S14 | C02 | H4 | 105.9° | 110.8° |
| N06 | C05 | N04 | 130.8° | 125.0° |
| C05 | N06 | H11 | 115.2° | 120.0° |
| C05 | N04 | C03 | 114.9° | 119.9° |
| C03 | C02 | C01 | 115.8° | 110.6° |
| C02 | C03 | N04 | 113.5° | 111.2° |
| C03 | C02 | H4 | 109.1° | 110.7° |
| C02 | C03 | H5 | 108.5° | 109.1° |
| C02 | C03 | H6 | 108.5° | 109.1° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.4° |
| C02 | C01 | H3 | 109.4° | 109.5° |
| C01 | C02 | H4 | 109.4° | 110.6° |
| N04 | C03 | H5 | 108.5° | 109.1° |
| N04 | C03 | H6 | 108.5° | 109.1° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H5 | C03 | H6 | 109.4° | 109.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C11 | C10 | C13 | 179.6° | 179.7° |
| O12 | C11 | C10 | C09 | 180.0° | 180.0° |
| O12 | C11 | C13 | C07 | 179.6° | 179.7° |
| O12 | C11 | C10 | H9 | 0.0° | 0.0° |
| O12 | C11 | C13 | H10 | 0.5° | 0.3° |
| C11 | C10 | C09 | H9 | 180.0° | 180.0° |
| C10 | C11 | C13 | C07 | 0.8° | 0.6° |
| C11 | C10 | C09 | C08 | 0.0° | 0.0° |
| C11 | C10 | C09 | H8 | 180.0° | 180.0° |
| C10 | C11 | C13 | H10 | 179.1° | 180.0° |
| C10 | C11 | O12 | H12 | 180.0° | 90.1° |
| C13 | C11 | C10 | C09 | 0.3° | 0.3° |
| C11 | C13 | C07 | H10 | 180.0° | 179.4° |
| C11 | C13 | C07 | C08 | 0.9° | 0.6° |
| C11 | C13 | C07 | N06 | 179.6° | 179.7° |
| C13 | C11 | C10 | H9 | 179.7° | 179.7° |
| C13 | C11 | O12 | H12 | 0.4° | 89.6° |
| C10 | C09 | C08 | H8 | 180.0° | 180.0° |
| C10 | C09 | C08 | C07 | 0.1° | 0.0° |
| C10 | C09 | C08 | H7 | 179.9° | 180.0° |
| C13 | C07 | C08 | C09 | 0.6° | 0.3° |
| C13 | C07 | C08 | N06 | 178.6° | 179.8° |
| C13 | C07 | N06 | C05 | 63.8° | 30.6° |
| C13 | C07 | C08 | H7 | 179.4° | 179.7° |
| C13 | C07 | N06 | H11 | 116.2° | 149.4° |
| C09 | C08 | C07 | H7 | 180.0° | 180.0° |
| C09 | C08 | C07 | N06 | 179.2° | 180.0° |
| C08 | C09 | C10 | H9 | 179.9° | 180.0° |
| C08 | C07 | N06 | C05 | 117.6° | 149.6° |
| C07 | C08 | C09 | H8 | 179.9° | 180.0° |
| C08 | C07 | C13 | H10 | 179.0° | 179.9° |
| C08 | C07 | N06 | H11 | 62.4° | 30.4° |
| C07 | N06 | C05 | S14 | 0.2° | 174.4° |
| C07 | N06 | C05 | H11 | 180.0° | 180.0° |
| C07 | N06 | C05 | N04 | 179.8° | 5.5° |
| N06 | C07 | C08 | H7 | 0.8° | 0.1° |
| N06 | C07 | C13 | H10 | 0.4° | 0.3° |
| S14 | C05 | N06 | N04 | 180.0° | 179.9° |
| C05 | S14 | C02 | C03 | 2.6° | 0.0° |
| C05 | S14 | C02 | C01 | 123.3° | 118.4° |
| S14 | C05 | N04 | C03 | 0.1° | 0.1° |
| C05 | S14 | C02 | H4 | 117.7° | 118.5° |
| S14 | C05 | N06 | H11 | 179.8° | 5.5° |
| C02 | S14 | C05 | N06 | 178.2° | 180.0° |
| C02 | S14 | C05 | N04 | 1.8° | 0.1° |
| S14 | C02 | C03 | C01 | 123.3° | 118.5° |
| S14 | C02 | C03 | H4 | 112.9° | 118.6° |
| S14 | C02 | C01 | H4 | 116.9° | 123.2° |
| S14 | C02 | C03 | N04 | 3.1° | 0.0° |
| S14 | C02 | C01 | H1 | 180.0° | 173.8° |
| S14 | C02 | C01 | H2 | 60.0° | 66.2° |
| S14 | C02 | C01 | H3 | 60.0° | 53.8° |
| S14 | C02 | C03 | H5 | 117.5° | 120.5° |
| S14 | C02 | C03 | H6 | 123.7° | 120.4° |
| N06 | C05 | N04 | C03 | 179.9° | 180.0° |
| C05 | N04 | C03 | C02 | 2.1° | 0.1° |
| C05 | N04 | C03 | H5 | 118.6° | 120.5° |
| C05 | N04 | C03 | H6 | 122.7° | 120.3° |
| N04 | C05 | N06 | H11 | 0.2° | 174.5° |
| C03 | C02 | C01 | H4 | 123.6° | 123.0° |
| C02 | C03 | N04 | H5 | 120.6° | 120.4° |
| C02 | C03 | N04 | H6 | 120.6° | 120.4° |
| C03 | C02 | C01 | H1 | 60.6° | 60.0° |
| C03 | C02 | C01 | H2 | 179.4° | 180.0° |
| C03 | C02 | C01 | H3 | 59.5° | 60.0° |
| C02 | C03 | H5 | H6 | 118.2° | 119.1° |
| C01 | C02 | C03 | N04 | 120.2° | 118.5° |
| 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 | 119.2° | 121.1° |
| C01 | C02 | C03 | H6 | 0.4° | 1.9° |
| N04 | C03 | C02 | H4 | 116.0° | 118.6° |
| N04 | C03 | H5 | H6 | 118.1° | 119.1° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 63.1° | 63.0° |
| H2 | C01 | C02 | H4 | 56.9° | 57.1° |
| H3 | C01 | C02 | H4 | 176.9° | 177.0° |
| H4 | C02 | C03 | H5 | 4.6° | 1.8° |
| H4 | C02 | C03 | H6 | 123.4° | 121.0° |
| H7 | C08 | C09 | H8 | 0.1° | 0.0° |
| H8 | C09 | C10 | H9 | 0.0° | 0.0° |
