T9Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | C07 | sing | 1.51Å | 1.52Å | |
| C08 | C09 | doub | 1.38Å | 1.38Å | Aromatic |
| C07 | N06 | sing | 1.47Å | 1.45Å | |
| N06 | C04 | sing | 1.35Å | 1.44Å | |
| O02 | C03 | sing | 1.43Å | 1.39Å | |
| O02 | C01 | sing | 1.43Å | 1.40Å | |
| O05 | C04 | doub | 1.21Å | 1.18Å | |
| C04 | C03 | sing | 1.51Å | 1.53Å | |
| C10 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| N06 | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | C11 | 120.5° | 120.0° |
| C12 | C13 | C08 | 120.0° | 120.0° |
| C12 | C13 | H2 | 120.1° | 120.0° |
| C13 | C12 | H12 | 119.8° | 120.0° |
| C12 | C11 | C10 | 119.1° | 120.0° |
| C12 | C11 | H11 | 120.5° | 120.0° |
| C11 | C12 | H12 | 119.7° | 120.0° |
| C13 | C08 | C07 | 120.5° | 120.0° |
| C13 | C08 | C09 | 119.6° | 120.0° |
| C08 | C13 | H2 | 120.0° | 120.0° |
| C11 | C10 | C09 | 121.0° | 120.0° |
| C11 | C10 | H1 | 119.5° | 120.0° |
| C10 | C11 | H11 | 120.5° | 120.0° |
| C07 | C08 | C09 | 119.9° | 120.0° |
| C08 | C07 | N06 | 107.8° | 109.5° |
| C08 | C07 | H8 | 109.9° | 109.5° |
| C08 | C07 | H9 | 109.9° | 109.5° |
| C08 | C09 | C10 | 119.9° | 120.0° |
| C08 | C09 | H10 | 120.0° | 120.0° |
| C07 | N06 | C04 | 120.0° | 120.0° |
| N06 | C07 | H8 | 109.9° | 109.5° |
| N06 | C07 | H9 | 109.9° | 109.5° |
| C07 | N06 | H13 | 120.0° | 120.0° |
| N06 | C04 | O05 | 118.5° | 120.0° |
| N06 | C04 | C03 | 120.7° | 120.0° |
| C04 | N06 | H13 | 120.0° | 120.0° |
| C03 | O02 | C01 | 114.0° | 114.0° |
| O02 | C03 | C04 | 107.4° | 109.5° |
| O02 | C03 | H6 | 110.0° | 109.5° |
| O02 | C03 | H7 | 110.0° | 109.5° |
| O02 | C01 | H3 | 109.5° | 109.4° |
| O02 | C01 | H4 | 109.5° | 109.4° |
| O02 | C01 | H5 | 109.5° | 109.5° |
| O05 | C04 | C03 | 120.9° | 120.0° |
| C04 | C03 | H6 | 110.0° | 109.5° |
| C04 | C03 | H7 | 110.0° | 109.5° |
| C09 | C10 | H1 | 119.5° | 120.0° |
| C10 | C09 | H10 | 120.1° | 120.0° |
| H3 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H6 | C03 | H7 | 109.5° | 109.5° |
| H8 | C07 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | C11 | H12 | 180.0° | 179.8° |
| C12 | C13 | C08 | H2 | 180.0° | 179.4° |
| C13 | C12 | C11 | C10 | 0.0° | 0.0° |
| C12 | C13 | C08 | C07 | 179.9° | 179.4° |
| C12 | C13 | C08 | C09 | 1.3° | 0.5° |
| C13 | C12 | C11 | H11 | 179.9° | 180.0° |
| C11 | C12 | C13 | C08 | 1.4° | 0.2° |
| C12 | C11 | C10 | H11 | 180.0° | 180.0° |
| C12 | C11 | C10 | C09 | 1.3° | 0.0° |
| C12 | C11 | C10 | H1 | 178.7° | 179.6° |
| C11 | C12 | C13 | H2 | 178.6° | 179.7° |
| C13 | C08 | C07 | C09 | 178.6° | 179.9° |
| C13 | C08 | C07 | N06 | 100.9° | 90.0° |
| C13 | C08 | C09 | C10 | 0.0° | 0.5° |
| C13 | C08 | C07 | H8 | 18.8° | 150.1° |
| C13 | C08 | C07 | H9 | 139.3° | 30.0° |
| C13 | C08 | C09 | H10 | 180.0° | 179.4° |
| C08 | C13 | C12 | H12 | 178.7° | 180.0° |
| C11 | C10 | C09 | C08 | 1.3° | 0.3° |
| C11 | C10 | C09 | H1 | 180.0° | 179.6° |
| C11 | C10 | C09 | H10 | 178.7° | 179.7° |
| C10 | C11 | C12 | H12 | 180.0° | 179.7° |
| C08 | C07 | N06 | H8 | 119.7° | 120.0° |
| C08 | C07 | N06 | H9 | 119.7° | 120.0° |
| C08 | C07 | N06 | C04 | 171.0° | 180.0° |
| C07 | C08 | C09 | C10 | 178.6° | 179.4° |
| C07 | C08 | C13 | H2 | 0.1° | 0.0° |
| C08 | C07 | H8 | H9 | 120.8° | 120.0° |
| C07 | C08 | C09 | H10 | 1.4° | 0.6° |
| C08 | C07 | N06 | H13 | 9.0° | 0.0° |
| C09 | C08 | C07 | N06 | 77.7° | 90.0° |
| C08 | C09 | C10 | H10 | 180.0° | 180.0° |
| C08 | C09 | C10 | H1 | 178.7° | 179.9° |
| C09 | C08 | C13 | H2 | 178.7° | 180.0° |
| C09 | C08 | C07 | H8 | 162.6° | 30.0° |
| C09 | C08 | C07 | H9 | 42.0° | 150.1° |
| C07 | N06 | C04 | H13 | 180.0° | 180.0° |
| C07 | N06 | C04 | O05 | 0.8° | 0.0° |
| C07 | N06 | C04 | C03 | 179.9° | 180.0° |
| N06 | C07 | H8 | H9 | 120.8° | 120.0° |
| N06 | C04 | C03 | O02 | 27.8° | 180.0° |
| N06 | C04 | O05 | C03 | 179.0° | 180.0° |
| N06 | C04 | C03 | H6 | 91.9° | 60.0° |
| N06 | C04 | C03 | H7 | 147.5° | 60.0° |
| C04 | N06 | C07 | H8 | 69.3° | 60.0° |
| C04 | N06 | C07 | H9 | 51.2° | 60.0° |
| O02 | C03 | C04 | O05 | 151.1° | 0.0° |
| O02 | C03 | C04 | H6 | 119.7° | 120.0° |
| O02 | C03 | C04 | H7 | 119.7° | 120.0° |
| C03 | O02 | C01 | H3 | 180.0° | 60.0° |
| C03 | O02 | C01 | H4 | 60.0° | 60.0° |
| C03 | O02 | C01 | H5 | 60.0° | 180.0° |
| O02 | C03 | H6 | H7 | 121.0° | 120.0° |
| C01 | O02 | C03 | C04 | 95.8° | 180.0° |
| O02 | C01 | H3 | H4 | 120.0° | 120.0° |
| O02 | C01 | H3 | H5 | 120.0° | 120.0° |
| O02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C01 | O02 | C03 | H6 | 23.9° | 60.0° |
| C01 | O02 | C03 | H7 | 144.5° | 60.0° |
| O05 | C04 | C03 | H6 | 89.2° | 120.0° |
| O05 | C04 | C03 | H7 | 31.5° | 120.0° |
| O05 | C04 | N06 | H13 | 179.2° | 180.0° |
| C04 | C03 | H6 | H7 | 120.9° | 120.0° |
| C03 | C04 | N06 | H13 | 0.1° | 0.0° |
| C09 | C10 | C11 | H11 | 178.7° | 180.0° |
| H1 | C10 | C09 | H10 | 1.3° | 0.1° |
| H1 | C10 | C11 | H11 | 1.3° | 0.4° |
| H2 | C13 | C12 | H12 | 1.3° | 0.6° |
| H3 | C01 | H4 | H5 | 120.0° | 120.1° |
| H8 | C07 | N06 | H13 | 110.7° | 120.0° |
| H9 | C07 | N06 | H13 | 128.8° | 120.0° |
| H11 | C11 | C12 | H12 | 0.0° | 0.3° |
