C9M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C2 | sing | 1.36Å | 1.36Å | |
| O13 | C14 | sing | 1.43Å | 1.42Å | |
| O13 | C1 | sing | 1.36Å | 1.37Å | |
| C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C7 | sing | 1.48Å | 1.48Å | |
| C7 | C8 | doub | 1.33Å | 1.32Å | |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C9 | O10 | sing | 1.43Å | 1.42Å | |
| O10 | C11 | sing | 1.43Å | 1.42Å | |
| O12 | H1 | sing | 0.97Å | 0.95Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C2 | C3 | 119.3° | 119.9° |
| O12 | C2 | C1 | 119.6° | 119.9° |
| C2 | O12 | H1 | 109.5° | 114.0° |
| C14 | O13 | C1 | 120.2° | 117.0° |
| O13 | C14 | H12 | 109.5° | 109.5° |
| O13 | C14 | H13 | 109.4° | 109.5° |
| O13 | C14 | H14 | 109.5° | 109.5° |
| O13 | C1 | C2 | 117.3° | 120.0° |
| O13 | C1 | C6 | 122.4° | 120.0° |
| C3 | C2 | C1 | 121.0° | 120.2° |
| C2 | C3 | C4 | 119.3° | 120.1° |
| C2 | C3 | H2 | 120.3° | 119.9° |
| C2 | C1 | C6 | 120.3° | 120.0° |
| C3 | C4 | C5 | 120.6° | 120.0° |
| C4 | C3 | H2 | 120.4° | 120.0° |
| C3 | C4 | H3 | 119.7° | 120.0° |
| C1 | C6 | C5 | 118.0° | 119.9° |
| C1 | C6 | H11 | 121.0° | 120.1° |
| C4 | C5 | C6 | 120.8° | 119.9° |
| C4 | C5 | C7 | 115.8° | 120.1° |
| C5 | C4 | H3 | 119.7° | 120.0° |
| C6 | C5 | C7 | 123.4° | 120.1° |
| C5 | C6 | H11 | 121.0° | 120.0° |
| C5 | C7 | C8 | 122.5° | 120.0° |
| C5 | C7 | H4 | 118.8° | 120.0° |
| C7 | C8 | C9 | 119.5° | 120.0° |
| C8 | C7 | H4 | 118.7° | 119.9° |
| C7 | C8 | H5 | 120.3° | 120.0° |
| C8 | C9 | O10 | 104.5° | 109.5° |
| C9 | C8 | H5 | 120.3° | 120.0° |
| C8 | C9 | H6 | 110.7° | 109.5° |
| C8 | C9 | H7 | 110.7° | 109.4° |
| C9 | O10 | C11 | 113.7° | 114.0° |
| O10 | C9 | H6 | 110.7° | 109.4° |
| O10 | C9 | H7 | 110.7° | 109.5° |
| O10 | C11 | H8 | 109.5° | 109.5° |
| O10 | C11 | H9 | 109.4° | 109.5° |
| O10 | C11 | H10 | 109.5° | 109.4° |
| H6 | C9 | H7 | 109.4° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H8 | C11 | H10 | 109.5° | 109.5° |
| H9 | C11 | H10 | 109.5° | 109.5° |
| H12 | C14 | H13 | 109.5° | 109.5° |
| H12 | C14 | H14 | 109.4° | 109.4° |
| H13 | C14 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C2 | C1 | O13 | 1.4° | 0.3° |
| O12 | C2 | C3 | C1 | 178.6° | 179.6° |
| O12 | C2 | C3 | C4 | 179.0° | 179.7° |
| O12 | C2 | C1 | C6 | 179.1° | 179.7° |
| O12 | C2 | C3 | H2 | 1.0° | 0.4° |
| C14 | O13 | C1 | C2 | 158.1° | 179.9° |
| C14 | O13 | C1 | C6 | 21.3° | 0.0° |
| O13 | C14 | H12 | H13 | 120.0° | 120.1° |
| O13 | C14 | H12 | H14 | 120.0° | 120.0° |
| O13 | C14 | H13 | H14 | 120.0° | 120.0° |
| O13 | C1 | C2 | C3 | 180.0° | 179.9° |
| O13 | C1 | C2 | C6 | 179.5° | 180.0° |
| O13 | C1 | C6 | C5 | 180.0° | 180.0° |
| O13 | C1 | C6 | H11 | 0.0° | 0.0° |
| C1 | O13 | C14 | H12 | 180.0° | 180.0° |
| C1 | O13 | C14 | H13 | 60.0° | 60.0° |
| C1 | O13 | C14 | H14 | 60.0° | 60.0° |
| C2 | C3 | C4 | H2 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 0.5° | 0.1° |
| C2 | C3 | C4 | C5 | 0.3° | 0.1° |
| C3 | C2 | O12 | H1 | 180.0° | 90.1° |
| C2 | C3 | C4 | H3 | 179.7° | 180.0° |
| C1 | C2 | C3 | C4 | 0.4° | 0.1° |
| C2 | C1 | C6 | C5 | 0.5° | 0.1° |
| C1 | C2 | O12 | H1 | 1.4° | 90.3° |
| C1 | C2 | C3 | H2 | 179.6° | 180.0° |
| C2 | C1 | C6 | H11 | 179.4° | 179.9° |
| C3 | C4 | C5 | H3 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.4° | 0.0° |
| C3 | C4 | C5 | C7 | 179.9° | 179.9° |
| C1 | C6 | C5 | C4 | 0.5° | 0.0° |
| C1 | C6 | C5 | H11 | 180.0° | 180.0° |
| C1 | C6 | C5 | C7 | 179.8° | 179.9° |
| C4 | C5 | C6 | C7 | 179.7° | 180.0° |
| C4 | C5 | C7 | C8 | 171.0° | 0.0° |
| C5 | C4 | C3 | H2 | 179.7° | 179.9° |
| C4 | C5 | C7 | H4 | 9.0° | 179.9° |
| C4 | C5 | C6 | H11 | 179.5° | 180.0° |
| C6 | C5 | C7 | C8 | 9.3° | 180.0° |
| C6 | C5 | C4 | H3 | 179.7° | 180.0° |
| C6 | C5 | C7 | H4 | 170.7° | 0.1° |
| C5 | C7 | C8 | H4 | 180.0° | 179.9° |
| C5 | C7 | C8 | C9 | 179.9° | 180.0° |
| C7 | C5 | C4 | H3 | 0.0° | 0.0° |
| C5 | C7 | C8 | H5 | 0.1° | 0.1° |
| C7 | C5 | C6 | H11 | 0.2° | 0.1° |
| C7 | C8 | C9 | H5 | 180.0° | 179.9° |
| C7 | C8 | C9 | O10 | 141.1° | 135.0° |
| C7 | C8 | C9 | H6 | 21.8° | 105.0° |
| C7 | C8 | C9 | H7 | 99.7° | 15.0° |
| C8 | C9 | O10 | H6 | 119.2° | 120.0° |
| C8 | C9 | O10 | H7 | 119.2° | 120.0° |
| C8 | C9 | O10 | C11 | 161.1° | 180.0° |
| C9 | C8 | C7 | H4 | 0.1° | 0.1° |
| C8 | C9 | H6 | H7 | 122.3° | 120.0° |
| O10 | C9 | C8 | H5 | 38.9° | 45.0° |
| O10 | C9 | H6 | H7 | 122.3° | 120.0° |
| C9 | O10 | C11 | H8 | 180.0° | 60.0° |
| C9 | O10 | C11 | H9 | 60.0° | 60.0° |
| C9 | O10 | C11 | H10 | 60.0° | 180.0° |
| C11 | O10 | C9 | H6 | 79.7° | 60.0° |
| C11 | O10 | C9 | H7 | 41.9° | 60.0° |
| O10 | C11 | H8 | H9 | 120.0° | 120.0° |
| O10 | C11 | H8 | H10 | 120.0° | 119.9° |
| O10 | C11 | H9 | H10 | 120.0° | 119.9° |
| H2 | C3 | C4 | H3 | 0.3° | 0.1° |
| H4 | C7 | C8 | H5 | 179.9° | 180.0° |
| H5 | C8 | C9 | H6 | 158.2° | 75.0° |
| H5 | C8 | C9 | H7 | 80.3° | 165.1° |
| H8 | C11 | H9 | H10 | 120.0° | 120.0° |
| H12 | C14 | H13 | H14 | 120.0° | 120.0° |
