L4A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C6 | doub | 1.22Å | 1.27Å | |
| O4 | C6 | sing | 1.35Å | 1.26Å | |
| C6 | C2 | sing | 1.47Å | 1.53Å | |
| C2 | N1 | sing | 1.36Å | 1.36Å | Aromatic |
| C2 | C3 | doub | 1.36Å | 1.41Å | Aromatic |
| N1 | C1 | doub | 1.30Å | 1.33Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C3 | O1 | sing | 1.34Å | 1.31Å | Aromatic |
| C1 | O1 | sing | 1.34Å | 1.29Å | Aromatic |
| C1 | C7 | sing | 1.51Å | 1.51Å | |
| C5 | O2 | sing | 1.43Å | 1.41Å | |
| O6 | C8 | sing | 1.43Å | 1.42Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| O2 | H7 | sing | 0.97Å | 0.95Å | |
| O4 | H8 | sing | 0.97Å | 0.95Å | |
| O6 | H9 | sing | 0.97Å | 0.95Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C6 | O4 | 119.9° | 120.0° |
| O3 | C6 | C2 | 122.1° | 120.0° |
| O4 | C6 | C2 | 118.0° | 120.0° |
| C6 | O4 | H8 | 109.5° | 117.0° |
| C6 | C2 | N1 | 127.3° | 126.5° |
| C6 | C2 | C3 | 127.4° | 126.5° |
| N1 | C2 | C3 | 105.3° | 107.1° |
| C2 | N1 | C1 | 107.2° | 108.5° |
| C2 | C3 | C4 | 127.6° | 126.6° |
| C2 | C3 | O1 | 107.1° | 106.9° |
| N1 | C1 | O1 | 110.3° | 109.3° |
| N1 | C1 | C7 | 125.7° | 125.3° |
| C3 | C4 | C5 | 109.7° | 109.5° |
| C4 | C3 | O1 | 125.2° | 126.5° |
| C3 | C4 | H1 | 109.4° | 109.5° |
| C3 | C4 | H2 | 109.4° | 109.4° |
| C4 | C5 | O2 | 109.2° | 109.5° |
| C5 | C4 | H1 | 109.4° | 109.5° |
| C5 | C4 | H2 | 109.4° | 109.4° |
| C4 | C5 | H3 | 109.6° | 109.4° |
| C4 | C5 | H4 | 109.5° | 109.5° |
| C3 | O1 | C1 | 110.0° | 108.3° |
| O1 | C1 | C7 | 124.0° | 125.4° |
| C1 | C7 | C8 | 109.1° | 109.4° |
| C1 | C7 | H5 | 109.6° | 109.4° |
| C1 | C7 | H6 | 109.6° | 109.5° |
| O2 | C5 | H3 | 109.5° | 109.5° |
| O2 | C5 | H4 | 109.5° | 109.5° |
| C5 | O2 | H7 | 109.5° | 114.0° |
| O6 | C8 | C7 | 107.5° | 109.5° |
| C8 | O6 | H9 | 109.5° | 114.0° |
| O6 | C8 | H10 | 110.0° | 109.5° |
| O6 | C8 | H11 | 109.9° | 109.4° |
| C8 | C7 | H5 | 109.6° | 109.5° |
| C8 | C7 | H6 | 109.6° | 109.5° |
| C7 | C8 | H10 | 110.0° | 109.5° |
| C7 | C8 | H11 | 110.0° | 109.5° |
| H1 | C4 | H2 | 109.5° | 109.6° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H10 | C8 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C6 | O4 | C2 | 179.7° | 179.9° |
| O3 | C6 | C2 | N1 | 0.1° | 179.9° |
| O3 | C6 | C2 | C3 | 179.4° | 0.2° |
| O3 | C6 | O4 | H8 | 0.0° | 0.1° |
| O4 | C6 | C2 | N1 | 179.8° | 0.1° |
| O4 | C6 | C2 | C3 | 0.9° | 179.7° |
| C6 | C2 | N1 | C3 | 179.5° | 179.9° |
| C6 | C2 | N1 | C1 | 180.0° | 180.0° |
| C6 | C2 | C3 | C4 | 1.2° | 0.1° |
| C6 | C2 | C3 | O1 | 180.0° | 179.8° |
| C2 | C6 | O4 | H8 | 179.7° | 180.0° |
| N1 | C2 | C3 | C4 | 179.3° | 180.0° |
| N1 | C2 | C3 | O1 | 0.6° | 0.3° |
| C2 | N1 | C1 | O1 | 0.2° | 0.1° |
| C2 | N1 | C1 | C7 | 179.4° | 179.7° |
| C3 | C2 | N1 | C1 | 0.5° | 0.2° |
| C2 | C3 | C4 | O1 | 178.5° | 179.6° |
| C2 | C3 | C4 | C5 | 114.8° | 90.0° |
| C2 | C3 | O1 | C1 | 0.4° | 0.4° |
| C2 | C3 | C4 | H1 | 5.2° | 150.1° |
| C2 | C3 | C4 | H2 | 125.2° | 30.0° |
| N1 | C1 | O1 | C3 | 0.1° | 0.3° |
| N1 | C1 | O1 | C7 | 179.6° | 179.7° |
| N1 | C1 | C7 | C8 | 74.3° | 89.7° |
| N1 | C1 | C7 | H5 | 165.8° | 150.4° |
| N1 | C1 | C7 | H6 | 45.6° | 30.3° |
| C3 | C4 | C5 | H1 | 120.0° | 120.0° |
| C3 | C4 | C5 | H2 | 120.0° | 119.9° |
| C4 | C3 | O1 | C1 | 179.2° | 179.9° |
| C3 | C4 | C5 | O2 | 37.5° | 179.9° |
| C3 | C4 | H1 | H2 | 119.9° | 120.0° |
| C3 | C4 | C5 | H3 | 82.5° | 60.0° |
| C3 | C4 | C5 | H4 | 157.4° | 60.0° |
| C5 | C4 | C3 | O1 | 63.7° | 90.4° |
| C4 | C5 | O2 | H3 | 120.0° | 120.0° |
| C4 | C5 | O2 | H4 | 120.0° | 120.0° |
| C5 | C4 | H1 | H2 | 119.9° | 120.0° |
| C4 | C5 | H3 | H4 | 120.1° | 120.0° |
| C4 | C5 | O2 | H7 | 180.0° | 180.0° |
| C3 | O1 | C1 | C7 | 179.8° | 179.9° |
| O1 | C3 | C4 | H1 | 176.3° | 29.6° |
| O1 | C3 | C4 | H2 | 56.3° | 149.7° |
| O1 | C1 | C7 | C8 | 105.3° | 90.0° |
| O1 | C1 | C7 | H5 | 14.7° | 30.0° |
| O1 | C1 | C7 | H6 | 134.8° | 150.1° |
| C1 | C7 | C8 | O6 | 69.7° | 179.9° |
| C1 | C7 | C8 | H5 | 119.9° | 120.0° |
| C1 | C7 | C8 | H6 | 119.9° | 120.0° |
| C1 | C7 | H5 | H6 | 120.2° | 120.0° |
| C1 | C7 | C8 | H10 | 170.6° | 60.0° |
| C1 | C7 | C8 | H11 | 50.0° | 60.0° |
| O2 | C5 | C4 | H1 | 157.5° | 60.1° |
| O2 | C5 | C4 | H2 | 82.6° | 60.0° |
| O2 | C5 | H3 | H4 | 120.1° | 120.1° |
| O6 | C8 | C7 | H10 | 119.7° | 120.0° |
| O6 | C8 | C7 | H11 | 119.7° | 119.9° |
| O6 | C8 | C7 | H5 | 170.4° | 60.0° |
| O6 | C8 | C7 | H6 | 50.2° | 60.1° |
| O6 | C8 | H10 | H11 | 120.9° | 119.9° |
| C8 | C7 | H5 | H6 | 120.2° | 120.0° |
| C7 | C8 | O6 | H9 | 180.0° | 180.0° |
| C7 | C8 | H10 | H11 | 120.9° | 120.1° |
| H1 | C4 | C5 | H3 | 37.5° | 179.9° |
| H1 | C4 | C5 | H4 | 82.6° | 60.0° |
| H2 | C4 | C5 | H3 | 157.5° | 60.0° |
| H2 | C4 | C5 | H4 | 37.4° | 179.9° |
| H3 | C5 | O2 | H7 | 60.0° | 60.1° |
| H4 | C5 | O2 | H7 | 60.1° | 60.0° |
| H5 | C7 | C8 | H10 | 50.7° | 180.0° |
| H5 | C7 | C8 | H11 | 70.0° | 59.9° |
| H6 | C7 | C8 | H10 | 69.5° | 59.9° |
| H6 | C7 | C8 | H11 | 169.9° | 180.0° |
| H9 | O6 | C8 | H10 | 60.3° | 59.9° |
| H9 | O6 | C8 | H11 | 60.3° | 60.0° |
