L9I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | N1 | sing | 1.42Å | 1.40Å | |
| N1 | C3 | doub | 1.30Å | 1.26Å | |
| O4 | C4 | doub | 1.21Å | 1.19Å | |
| C3 | C4 | sing | 1.48Å | 1.52Å | |
| C3 | C2 | sing | 1.47Å | 1.52Å | |
| C4 | O1 | sing | 1.35Å | 1.39Å | |
| O2 | C2 | doub | 1.21Å | 1.20Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| O1 | C5 | sing | 1.45Å | 1.40Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| O3 | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | N1 | C3 | 124.1° | 120.0° |
| N1 | O3 | H9 | 109.5° | 114.0° |
| N1 | C3 | C4 | 122.7° | 120.0° |
| N1 | C3 | C2 | 118.7° | 120.0° |
| O4 | C4 | C3 | 119.9° | 120.0° |
| O4 | C4 | O1 | 119.9° | 120.0° |
| C4 | C3 | C2 | 118.6° | 120.0° |
| C3 | C4 | O1 | 120.3° | 120.0° |
| C3 | C2 | O2 | 119.2° | 120.0° |
| C3 | C2 | C1 | 118.6° | 120.0° |
| C4 | O1 | C5 | 112.2° | 117.0° |
| O2 | C2 | C1 | 122.1° | 120.0° |
| C2 | C1 | H6 | 109.5° | 109.5° |
| C2 | C1 | H7 | 109.4° | 109.5° |
| C2 | C1 | H8 | 109.5° | 109.5° |
| O1 | C5 | C6 | 109.1° | 109.5° |
| O1 | C5 | H1 | 109.6° | 109.5° |
| O1 | C5 | H2 | 109.6° | 109.5° |
| C6 | C5 | H1 | 109.6° | 109.4° |
| C6 | C5 | H2 | 109.6° | 109.4° |
| C5 | C6 | H3 | 109.5° | 109.4° |
| C5 | C6 | H4 | 109.5° | 109.4° |
| C5 | C6 | H5 | 109.5° | 109.5° |
| H1 | C5 | H2 | 109.5° | 109.5° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H3 | C6 | H5 | 109.5° | 109.5° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| H6 | C1 | H7 | 109.4° | 109.5° |
| H6 | C1 | H8 | 109.5° | 109.5° |
| H7 | C1 | H8 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | N1 | C3 | C4 | 1.2° | 0.0° |
| O3 | N1 | C3 | C2 | 179.5° | 180.0° |
| N1 | C3 | C4 | O4 | 89.6° | 180.0° |
| N1 | C3 | C4 | C2 | 178.2° | 180.0° |
| N1 | C3 | C4 | O1 | 91.4° | 0.0° |
| N1 | C3 | C2 | O2 | 8.2° | 180.0° |
| N1 | C3 | C2 | C1 | 170.2° | 0.0° |
| C3 | N1 | O3 | H9 | 180.0° | 180.0° |
| O4 | C4 | C3 | O1 | 179.0° | 180.0° |
| O4 | C4 | C3 | C2 | 88.7° | 0.0° |
| O4 | C4 | O1 | C5 | 10.4° | 0.0° |
| C4 | C3 | C2 | O2 | 173.5° | 0.0° |
| C4 | C3 | C2 | C1 | 8.1° | 180.0° |
| C3 | C4 | O1 | C5 | 168.6° | 180.0° |
| C2 | C3 | C4 | O1 | 90.3° | 180.0° |
| C3 | C2 | O2 | C1 | 178.4° | 180.0° |
| C3 | C2 | C1 | H6 | 178.4° | 90.0° |
| C3 | C2 | C1 | H7 | 61.6° | 30.0° |
| C3 | C2 | C1 | H8 | 58.4° | 150.0° |
| C4 | O1 | C5 | C6 | 138.2° | 180.0° |
| C4 | O1 | C5 | H1 | 101.9° | 60.0° |
| C4 | O1 | C5 | H2 | 18.3° | 60.0° |
| O2 | C2 | C1 | H6 | 0.0° | 90.0° |
| O2 | C2 | C1 | H7 | 120.0° | 150.0° |
| O2 | C2 | C1 | H8 | 120.0° | 30.0° |
| C2 | C1 | H6 | H7 | 120.0° | 120.0° |
| C2 | C1 | H6 | H8 | 120.0° | 120.0° |
| C2 | C1 | H7 | H8 | 120.0° | 120.0° |
| O1 | C5 | C6 | H1 | 119.9° | 120.0° |
| O1 | C5 | C6 | H2 | 119.9° | 120.0° |
| O1 | C5 | H1 | H2 | 120.2° | 120.0° |
| O1 | C5 | C6 | H3 | 180.0° | 60.0° |
| O1 | C5 | C6 | H4 | 60.0° | 60.0° |
| O1 | C5 | C6 | H5 | 60.0° | 180.0° |
| C6 | C5 | H1 | H2 | 120.2° | 120.0° |
| C5 | C6 | H3 | H4 | 120.0° | 120.0° |
| C5 | C6 | H3 | H5 | 120.0° | 120.0° |
| C5 | C6 | H4 | H5 | 120.0° | 120.0° |
| H1 | C5 | C6 | H3 | 60.1° | 60.0° |
| H1 | C5 | C6 | H4 | 179.9° | 180.0° |
| H1 | C5 | C6 | H5 | 59.9° | 60.0° |
| H2 | C5 | C6 | H3 | 60.1° | 180.0° |
| H2 | C5 | C6 | H4 | 59.9° | 60.0° |
| H2 | C5 | C6 | H5 | 179.9° | 60.0° |
| H3 | C6 | H4 | H5 | 120.0° | 120.0° |
| H6 | C1 | H7 | H8 | 120.0° | 120.0° |
