6L3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | H1 | sing | 1.09Å | 0.37Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | C1 | sing | 1.51Å | 63.85Å | |
| C1 | C2 | sing | 1.40Å | 0.00Å | Aromatic |
| C2 | C3 | doub | 1.40Å | 0.00Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 0.00Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 0.00Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 0.00Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 0.00Å | Aromatic |
| C3 | C7 | sing | 1.51Å | 0.00Å | |
| C5 | C8 | sing | 1.51Å | 0.00Å | |
| C2 | C9 | sing | 1.48Å | 0.00Å | |
| C9 | O2 | doub | 1.21Å | 0.00Å | |
| C9 | O1 | sing | 1.35Å | 0.00Å | |
| O1 | C11 | sing | 1.45Å | 0.00Å | |
| C4 | H4 | sing | 1.08Å | 0.00Å | |
| C6 | H5 | sing | 1.08Å | 0.00Å | |
| C7 | H6 | sing | 1.09Å | 0.00Å | |
| C7 | H7 | sing | 1.09Å | 0.00Å | |
| C7 | H8 | sing | 1.09Å | 0.00Å | |
| C8 | H9 | sing | 1.09Å | 0.00Å | |
| C8 | H10 | sing | 1.09Å | 0.00Å | |
| C8 | H11 | sing | 1.09Å | 0.00Å | |
| C11 | H12 | sing | 1.09Å | 0.00Å | |
| C11 | H13 | sing | 1.09Å | 0.00Å | |
| C11 | H14 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| H1 | C | H2 | 116.7° | 109.5° |
| H1 | C | H3 | 116.7° | 109.5° |
| H1 | C | C1 | 180.0° | 109.5° |
| H2 | C | H3 | 109.5° | 109.5° |
| H2 | C | C1 | 63.3° | 109.4° |
| H3 | C | C1 | 63.3° | 109.5° |
| C | C1 | C2 | 90.0° | 120.1° |
| C | C1 | C6 | 90.0° | 120.0° |
| C1 | C2 | C3 | 90.0° | 119.7° |
| C2 | C1 | C6 | 90.0° | 119.9° |
| C1 | C2 | C9 | 90.0° | 120.2° |
| C2 | C3 | C4 | 90.0° | 119.9° |
| C2 | C3 | C7 | 90.0° | 120.1° |
| C3 | C2 | C9 | 90.0° | 120.2° |
| C3 | C4 | C5 | 90.0° | 120.1° |
| C4 | C3 | C7 | 90.0° | 120.0° |
| C3 | C4 | H4 | 90.0° | 119.9° |
| C4 | C5 | C6 | 90.0° | 120.3° |
| C4 | C5 | C8 | 90.0° | 119.8° |
| C5 | C4 | H4 | 90.0° | 119.9° |
| C5 | C6 | C1 | 90.0° | 120.1° |
| C6 | C5 | C8 | 90.0° | 119.8° |
| C5 | C6 | H5 | 90.0° | 120.0° |
| C1 | C6 | H5 | 90.0° | 119.9° |
| C3 | C7 | H6 | 90.0° | 109.5° |
| C3 | C7 | H7 | 90.0° | 109.5° |
| C3 | C7 | H8 | 90.0° | 109.5° |
| C5 | C8 | H9 | 90.0° | 109.5° |
| C5 | C8 | H10 | 90.0° | 109.5° |
| C5 | C8 | H11 | 90.0° | 109.4° |
| C2 | C9 | O2 | 90.0° | 120.0° |
| C2 | C9 | O1 | 90.0° | 120.0° |
| O2 | C9 | O1 | 90.0° | 120.0° |
| C9 | O1 | C11 | 90.0° | 117.0° |
| O1 | C11 | H12 | 90.0° | 109.5° |
| O1 | C11 | H13 | 90.0° | 109.4° |
| O1 | C11 | H14 | 90.0° | 109.5° |
| H6 | C7 | H7 | 90.0° | 109.5° |
| H6 | C7 | H8 | 90.0° | 109.4° |
| H7 | C7 | H8 | 90.0° | 109.5° |
| H9 | C8 | H10 | 90.0° | 109.5° |
| H9 | C8 | H11 | 90.0° | 109.4° |
| H10 | C8 | H11 | 90.0° | 109.4° |
| H12 | C11 | H13 | 90.0° | 109.5° |
| H12 | C11 | H14 | 90.0° | 109.5° |
| H13 | C11 | H14 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| H1 | C | H2 | H3 | 135.3° | 120.1° |
| H1 | C | H2 | C1 | 180.0° | 119.9° |
| H1 | C | H3 | C1 | 180.0° | 120.0° |
| H1 | C | C1 | C2 | 90.0° | 89.9° |
| H1 | C | C1 | C6 | 90.0° | 90.3° |
| H2 | C | H3 | C1 | 44.7° | 119.9° |
| H2 | C | C1 | C2 | 90.0° | 30.0° |
| H2 | C | C1 | C6 | 90.0° | 149.8° |
| H3 | C | C1 | C2 | 90.0° | 150.0° |
| H3 | C | C1 | C6 | 90.0° | 29.8° |
| C | C1 | C2 | C6 | 90.0° | 179.8° |
| C | C1 | C2 | C3 | 90.0° | 180.0° |
| C | C1 | C6 | C5 | 90.0° | 179.7° |
| C | C1 | C2 | C9 | 90.0° | 0.0° |
| C | C1 | C6 | H5 | 90.0° | 0.2° |
| C1 | C2 | C3 | C9 | 90.0° | 180.0° |
| C1 | C2 | C3 | C4 | 90.0° | 0.0° |
| C2 | C1 | C6 | C5 | 90.0° | 0.5° |
| C1 | C2 | C3 | C7 | 90.0° | 180.0° |
| C1 | C2 | C9 | O2 | 90.0° | 89.9° |
| C1 | C2 | C9 | O1 | 90.0° | 90.0° |
| C2 | C1 | C6 | H5 | 90.0° | 180.0° |
| C2 | C3 | C4 | C7 | 90.0° | 180.0° |
| C2 | C3 | C4 | C5 | 90.0° | 0.0° |
| C3 | C2 | C1 | C6 | 90.0° | 0.2° |
| C3 | C2 | C9 | O2 | 90.0° | 90.0° |
| C3 | C2 | C9 | O1 | 90.0° | 90.0° |
| C2 | C3 | C4 | H4 | 90.0° | 180.0° |
| C2 | C3 | C7 | H6 | 90.0° | 90.0° |
| C2 | C3 | C7 | H7 | 90.0° | 150.0° |
| C2 | C3 | C7 | H8 | 90.0° | 30.0° |
| C3 | C4 | C5 | H4 | 90.0° | 180.0° |
| C3 | C4 | C5 | C6 | 90.0° | 0.3° |
| C3 | C4 | C5 | C8 | 90.0° | 180.0° |
| C4 | C3 | C2 | C9 | 90.0° | 180.0° |
| C4 | C3 | C7 | H6 | 90.0° | 90.1° |
| C4 | C3 | C7 | H7 | 90.0° | 30.0° |
| C4 | C3 | C7 | H8 | 90.0° | 150.0° |
| C4 | C5 | C6 | C8 | 90.0° | 179.7° |
| C4 | C5 | C6 | C1 | 90.0° | 0.5° |
| C5 | C4 | C3 | C7 | 90.0° | 180.0° |
| C4 | C5 | C6 | H5 | 90.0° | 180.0° |
| C4 | C5 | C8 | H9 | 90.0° | 90.0° |
| C4 | C5 | C8 | H10 | 90.0° | 150.0° |
| C4 | C5 | C8 | H11 | 90.0° | 30.0° |
| C5 | C6 | C1 | H5 | 90.0° | 179.5° |
| C6 | C5 | C4 | H4 | 90.0° | 179.7° |
| C6 | C5 | C8 | H9 | 90.0° | 89.8° |
| C6 | C5 | C8 | H10 | 90.0° | 30.3° |
| C6 | C5 | C8 | H11 | 90.0° | 150.3° |
| C1 | C6 | C5 | C8 | 90.0° | 179.7° |
| C6 | C1 | C2 | C9 | 90.0° | 179.8° |
| C7 | C3 | C2 | C9 | 90.0° | 0.0° |
| C7 | C3 | C4 | H4 | 90.0° | 0.0° |
| C3 | C7 | H6 | H7 | 90.0° | 120.1° |
| C3 | C7 | H6 | H8 | 90.0° | 120.0° |
| C3 | C7 | H7 | H8 | 90.0° | 120.0° |
| C8 | C5 | C4 | H4 | 90.0° | 0.0° |
| C8 | C5 | C6 | H5 | 90.0° | 0.2° |
| C5 | C8 | H9 | H10 | 90.0° | 120.1° |
| C5 | C8 | H9 | H11 | 90.0° | 120.0° |
| C5 | C8 | H10 | H11 | 90.0° | 120.0° |
| C2 | C9 | O2 | O1 | 90.0° | 180.0° |
| C2 | C9 | O1 | C11 | 90.0° | 180.0° |
| O2 | C9 | O1 | C11 | 90.0° | 0.0° |
| C9 | O1 | C11 | H12 | 90.0° | 60.0° |
| C9 | O1 | C11 | H13 | 90.0° | 60.1° |
| C9 | O1 | C11 | H14 | 90.0° | 180.0° |
| O1 | C11 | H12 | H13 | 90.0° | 120.0° |
| O1 | C11 | H12 | H14 | 90.0° | 120.0° |
| O1 | C11 | H13 | H14 | 90.0° | 119.9° |
| H6 | C7 | H7 | H8 | 90.0° | 119.9° |
| H9 | C8 | H10 | H11 | 90.0° | 120.0° |
| H12 | C11 | H13 | H14 | 90.0° | 120.0° |
