2LX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | O14 | sing | 1.43Å | 1.43Å | |
| C12 | C11 | sing | 1.53Å | 1.48Å | |
| C11 | O10 | sing | 1.43Å | 1.34Å | |
| C11 | C16 | sing | 1.53Å | 1.51Å | |
| O14 | C15 | sing | 1.43Å | 1.56Å | |
| O10 | C09 | sing | 1.36Å | 1.37Å | |
| C01 | N02 | sing | 1.46Å | 1.51Å | |
| N02 | C03 | sing | 1.35Å | 1.53Å | |
| C09 | C08 | doub | 1.39Å | 1.44Å | Aromatic |
| C09 | C04 | sing | 1.40Å | 1.51Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.41Å | Aromatic |
| C03 | C04 | sing | 1.48Å | 1.50Å | |
| C03 | O17 | doub | 1.22Å | 1.37Å | |
| C04 | C05 | doub | 1.40Å | 1.47Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.50Å | |
| C07 | C06 | doub | 1.38Å | 1.46Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.43Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| N02 | H4 | sing | 0.97Å | 1.00Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| C07 | H7 | sing | 1.08Å | 1.08Å | |
| C08 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C13 | O14 | 108.0° | 109.4° |
| C13 | C12 | C11 | 111.1° | 109.2° |
| C13 | C12 | H10 | 109.1° | 109.5° |
| C13 | C12 | H11 | 109.1° | 109.6° |
| C12 | C13 | H12 | 109.8° | 109.5° |
| C12 | C13 | H13 | 109.9° | 109.5° |
| C13 | O14 | C15 | 116.1° | 114.0° |
| O14 | C13 | H12 | 109.9° | 109.5° |
| O14 | C13 | H13 | 109.8° | 109.5° |
| C12 | C11 | O10 | 109.9° | 109.6° |
| C12 | C11 | C16 | 113.9° | 109.0° |
| C12 | C11 | H9 | 107.4° | 109.6° |
| C11 | C12 | H10 | 109.1° | 109.5° |
| C11 | C12 | H11 | 109.1° | 109.5° |
| O10 | C11 | C16 | 109.3° | 109.5° |
| C11 | O10 | C09 | 130.3° | 117.0° |
| O10 | C11 | H9 | 109.2° | 109.5° |
| C11 | C16 | C15 | 113.0° | 109.1° |
| C16 | C11 | H9 | 107.0° | 109.5° |
| C11 | C16 | H16 | 108.6° | 109.5° |
| C11 | C16 | H17 | 108.6° | 109.5° |
| O14 | C15 | C16 | 109.8° | 109.4° |
| O14 | C15 | H14 | 109.4° | 109.5° |
| O14 | C15 | H15 | 109.4° | 109.4° |
| O10 | C09 | C08 | 121.1° | 120.1° |
| O10 | C09 | C04 | 119.4° | 120.2° |
| C01 | N02 | C03 | 117.8° | 120.1° |
| N02 | C01 | H1 | 109.5° | 109.4° |
| N02 | C01 | H2 | 109.4° | 109.5° |
| N02 | C01 | H3 | 109.5° | 109.5° |
| C01 | N02 | H4 | 121.1° | 120.0° |
| N02 | C03 | C04 | 117.7° | 120.0° |
| N02 | C03 | O17 | 119.3° | 120.0° |
| C03 | N02 | H4 | 121.1° | 120.0° |
| C08 | C09 | C04 | 119.5° | 119.7° |
| C09 | C08 | C07 | 119.4° | 120.0° |
| C09 | C08 | H8 | 120.3° | 120.0° |
| C09 | C04 | C03 | 126.3° | 120.2° |
| C09 | C04 | C05 | 118.4° | 119.6° |
| C08 | C07 | C06 | 123.6° | 120.4° |
| C08 | C07 | H7 | 118.2° | 119.8° |
| C07 | C08 | H8 | 120.3° | 120.0° |
| C04 | C03 | O17 | 123.0° | 120.0° |
| C03 | C04 | C05 | 115.3° | 120.2° |
| C04 | C05 | C06 | 120.8° | 119.9° |
| C04 | C05 | H5 | 119.6° | 120.0° |
| C16 | C15 | H14 | 109.4° | 109.5° |
| C16 | C15 | H15 | 109.4° | 109.5° |
| C15 | C16 | H16 | 108.6° | 109.5° |
| C15 | C16 | H17 | 108.6° | 109.5° |
| C07 | C06 | C05 | 118.1° | 120.3° |
| C07 | C06 | H6 | 120.9° | 119.9° |
| C06 | C07 | H7 | 118.2° | 119.8° |
| C06 | C05 | H5 | 119.6° | 120.1° |
| C05 | C06 | H6 | 120.9° | 119.8° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H10 | C12 | H11 | 109.5° | 109.5° |
| H12 | C13 | H13 | 109.4° | 109.5° |
| H14 | C15 | H15 | 109.5° | 109.5° |
| H16 | C16 | H17 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C13 | O14 | H12 | 119.8° | 120.1° |
| C12 | C13 | O14 | H13 | 119.8° | 119.9° |
| C13 | C12 | C11 | H10 | 120.2° | 119.9° |
| C13 | C12 | C11 | H11 | 120.2° | 120.0° |
| C13 | C12 | C11 | O10 | 178.4° | 176.8° |
| C13 | C12 | C11 | C16 | 55.4° | 57.0° |
| C12 | C13 | O14 | C15 | 57.8° | 61.2° |
| C13 | C12 | C11 | H9 | 62.9° | 62.9° |
| C13 | C12 | H10 | H11 | 119.3° | 120.2° |
| C12 | C13 | H12 | H13 | 120.7° | 120.0° |
| O14 | C13 | C12 | C11 | 58.0° | 57.7° |
| C13 | O14 | C15 | C16 | 52.4° | 61.2° |
| O14 | C13 | C12 | H10 | 62.2° | 177.6° |
| O14 | C13 | C12 | H11 | 178.2° | 62.3° |
| O14 | C13 | H12 | H13 | 120.7° | 120.0° |
| C13 | O14 | C15 | H14 | 67.6° | 58.8° |
| C13 | O14 | C15 | H15 | 172.5° | 178.8° |
| C12 | C11 | O10 | C16 | 125.6° | 119.6° |
| C12 | C11 | O10 | H9 | 117.6° | 120.3° |
| C12 | C11 | C16 | H9 | 118.5° | 120.0° |
| C12 | C11 | O10 | C09 | 163.7° | 85.2° |
| C12 | C11 | C16 | C15 | 49.9° | 57.0° |
| C11 | C12 | H10 | H11 | 119.3° | 120.1° |
| C11 | C12 | C13 | H12 | 61.8° | 62.4° |
| C11 | C12 | C13 | H13 | 177.8° | 177.6° |
| C12 | C11 | C16 | H16 | 70.6° | 62.9° |
| C12 | C11 | C16 | H17 | 170.4° | 176.9° |
| O10 | C11 | C16 | H9 | 118.2° | 120.1° |
| C11 | O10 | C09 | C08 | 10.4° | 5.5° |
| C11 | O10 | C09 | C04 | 170.9° | 174.1° |
| O10 | C11 | C16 | C15 | 173.2° | 176.8° |
| O10 | C11 | C12 | H10 | 58.2° | 63.2° |
| O10 | C11 | C12 | H11 | 61.3° | 56.8° |
| O10 | C11 | C16 | H16 | 52.7° | 56.9° |
| O10 | C11 | C16 | H17 | 66.2° | 63.2° |
| C11 | C16 | C15 | O14 | 44.8° | 57.6° |
| C16 | C11 | O10 | C09 | 70.6° | 155.3° |
| C11 | C16 | C15 | H16 | 120.5° | 119.9° |
| C11 | C16 | C15 | H17 | 120.5° | 119.9° |
| C16 | C11 | C12 | H10 | 64.8° | 176.9° |
| C16 | C11 | C12 | H11 | 175.7° | 63.0° |
| C11 | C16 | C15 | H14 | 75.2° | 62.4° |
| C11 | C16 | C15 | H15 | 164.9° | 177.5° |
| C11 | C16 | H16 | H17 | 118.4° | 120.2° |
| O14 | C15 | C16 | H14 | 120.0° | 120.0° |
| O14 | C15 | C16 | H15 | 120.1° | 119.9° |
| C15 | O14 | C13 | H12 | 62.0° | 58.8° |
| C15 | O14 | C13 | H13 | 177.6° | 178.8° |
| O14 | C15 | H14 | H15 | 119.9° | 120.0° |
| O14 | C15 | C16 | H16 | 75.7° | 62.2° |
| O14 | C15 | C16 | H17 | 165.4° | 177.5° |
| O10 | C09 | C08 | C04 | 178.7° | 179.5° |
| O10 | C09 | C08 | C07 | 180.0° | 180.0° |
| O10 | C09 | C04 | C03 | 2.2° | 0.3° |
| O10 | C09 | C04 | C05 | 177.9° | 180.0° |
| O10 | C09 | C08 | H8 | 0.1° | 0.1° |
| C09 | O10 | C11 | H9 | 46.2° | 35.1° |
| C01 | N02 | C03 | H4 | 180.0° | 179.9° |
| C01 | N02 | C03 | C04 | 179.9° | 180.0° |
| C01 | N02 | C03 | O17 | 0.3° | 0.1° |
| N02 | C01 | H1 | H2 | 120.0° | 120.0° |
| N02 | C01 | H1 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H3 | 120.0° | 120.1° |
| N02 | C03 | C04 | C09 | 1.9° | 179.8° |
| N02 | C03 | C04 | O17 | 179.7° | 179.9° |
| N02 | C03 | C04 | C05 | 178.0° | 0.1° |
| C03 | N02 | C01 | H1 | 180.0° | 60.0° |
| C03 | N02 | C01 | H2 | 60.0° | 59.9° |
| C03 | N02 | C01 | H3 | 60.0° | 180.0° |
| C09 | C08 | C07 | H8 | 180.0° | 179.8° |
| C08 | C09 | C04 | C03 | 179.1° | 179.8° |
| C08 | C09 | C04 | C05 | 0.8° | 0.5° |
| C09 | C08 | C07 | C06 | 0.4° | 0.2° |
| C09 | C08 | C07 | H7 | 179.6° | 179.8° |
| C04 | C09 | C08 | C07 | 1.4° | 0.5° |
| C09 | C04 | C03 | C05 | 179.9° | 179.7° |
| C09 | C04 | C03 | O17 | 178.4° | 0.3° |
| C09 | C04 | C05 | C06 | 4.1° | 0.3° |
| C09 | C04 | C05 | H5 | 175.9° | 179.8° |
| C04 | C09 | C08 | H8 | 178.6° | 179.7° |
| C08 | C07 | C06 | H7 | 180.0° | 179.9° |
| C08 | C07 | C06 | C05 | 2.8° | 0.0° |
| C08 | C07 | C06 | H6 | 177.2° | 180.0° |
| C03 | C04 | C05 | C06 | 175.8° | 180.0° |
| C04 | C03 | N02 | H4 | 0.0° | 0.1° |
| C03 | C04 | C05 | H5 | 4.2° | 0.1° |
| O17 | C03 | C04 | C05 | 1.7° | 180.0° |
| O17 | C03 | N02 | H4 | 179.7° | 180.0° |
| C04 | C05 | C06 | C07 | 5.0° | 0.0° |
| C04 | C05 | C06 | H5 | 180.0° | 179.9° |
| C04 | C05 | C06 | H6 | 174.9° | 180.0° |
| C15 | C16 | C11 | H9 | 68.6° | 63.0° |
| C16 | C15 | H14 | H15 | 119.8° | 120.0° |
| C15 | C16 | H16 | H17 | 118.4° | 120.2° |
| C07 | C06 | C05 | H6 | 180.0° | 179.9° |
| C07 | C06 | C05 | H5 | 175.0° | 179.9° |
| C06 | C07 | C08 | H8 | 179.6° | 179.9° |
| C05 | C06 | C07 | H7 | 177.2° | 180.0° |
| H1 | C01 | H2 | H3 | 119.9° | 120.0° |
| H1 | C01 | N02 | H4 | 0.0° | 120.1° |
| H2 | C01 | N02 | H4 | 120.0° | 119.9° |
| H3 | C01 | N02 | H4 | 120.0° | 0.1° |
| H5 | C05 | C06 | H6 | 5.1° | 0.1° |
| H6 | C06 | C07 | H7 | 2.9° | 0.1° |
| H7 | C07 | C08 | H8 | 0.4° | 0.0° |
| H9 | C11 | C12 | H10 | 176.9° | 57.0° |
| H9 | C11 | C12 | H11 | 57.4° | 177.1° |
| H9 | C11 | C16 | H16 | 170.9° | 177.1° |
| H9 | C11 | C16 | H17 | 52.0° | 56.9° |
| H10 | C12 | C13 | H12 | 178.0° | 57.5° |
| H10 | C12 | C13 | H13 | 57.5° | 62.5° |
| H11 | C12 | C13 | H12 | 58.4° | 177.7° |
| H11 | C12 | C13 | H13 | 62.0° | 57.7° |
| H14 | C15 | C16 | H16 | 164.3° | 177.7° |
| H14 | C15 | C16 | H17 | 45.3° | 57.5° |
| H15 | C15 | C16 | H16 | 44.4° | 57.7° |
| H15 | C15 | C16 | H17 | 74.5° | 62.5° |
