T9F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C9 | sing | 1.47Å | 1.46Å | |
| N | C10 | sing | 1.47Å | 1.46Å | |
| C9 | C8 | sing | 1.50Å | 1.49Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C8 | C7 | doub | 1.32Å | 1.34Å | |
| C11 | C7 | sing | 1.50Å | 1.53Å | |
| C7 | C4 | sing | 1.48Å | 1.48Å | |
| C4 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C1 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | O | sing | 1.36Å | 1.37Å | |
| O | C | sing | 1.43Å | 1.43Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| N | H6 | sing | 1.01Å | 1.00Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.08Å | 1.08Å | |
| C3 | H14 | sing | 1.08Å | 1.08Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | N | C10 | 113.8° | 110.4° |
| N | C9 | C8 | 115.6° | 110.3° |
| C9 | N | H6 | 108.4° | 111.0° |
| N | C9 | H15 | 107.9° | 109.3° |
| N | C9 | H16 | 107.9° | 109.3° |
| N | C10 | C11 | 109.3° | 108.5° |
| N | C10 | H4 | 109.5° | 109.6° |
| N | C10 | H5 | 109.5° | 109.8° |
| C10 | N | H6 | 108.4° | 111.0° |
| C9 | C8 | C7 | 123.2° | 123.1° |
| C9 | C8 | H3 | 118.4° | 118.5° |
| C8 | C9 | H15 | 107.9° | 109.2° |
| C8 | C9 | H16 | 107.9° | 109.5° |
| C10 | C11 | C7 | 109.4° | 109.7° |
| C11 | C10 | H4 | 109.5° | 109.6° |
| C11 | C10 | H5 | 109.5° | 109.6° |
| C10 | C11 | H11 | 109.5° | 109.5° |
| C10 | C11 | H12 | 109.5° | 109.4° |
| C8 | C7 | C11 | 119.0° | 122.7° |
| C8 | C7 | C4 | 122.4° | 118.7° |
| C7 | C8 | H3 | 118.4° | 118.5° |
| C11 | C7 | C4 | 118.6° | 118.6° |
| C7 | C11 | H11 | 109.5° | 109.5° |
| C7 | C11 | H12 | 109.5° | 109.4° |
| C7 | C4 | C5 | 120.8° | 120.1° |
| C7 | C4 | C3 | 120.7° | 120.1° |
| C5 | C4 | C3 | 118.4° | 119.8° |
| C4 | C5 | C6 | 120.8° | 119.9° |
| C4 | C5 | H1 | 119.6° | 120.0° |
| C4 | C3 | C2 | 120.8° | 119.9° |
| C4 | C3 | H14 | 119.6° | 120.0° |
| C5 | C6 | C1 | 119.7° | 120.1° |
| C6 | C5 | H1 | 119.6° | 120.1° |
| C5 | C6 | H2 | 120.1° | 120.0° |
| C3 | C2 | C1 | 119.8° | 120.0° |
| C3 | C2 | H13 | 120.1° | 120.0° |
| C2 | C3 | H14 | 119.6° | 120.0° |
| C6 | C1 | C2 | 120.3° | 120.2° |
| C6 | C1 | O | 127.5° | 119.9° |
| C1 | C6 | H2 | 120.1° | 120.0° |
| C2 | C1 | O | 112.1° | 119.9° |
| C1 | C2 | H13 | 120.1° | 120.0° |
| C1 | O | C | 118.3° | 117.0° |
| O | C | H8 | 109.5° | 109.5° |
| O | C | H9 | 109.5° | 109.5° |
| O | C | H10 | 109.5° | 109.5° |
| H4 | C10 | H5 | 109.5° | 109.6° |
| H8 | C | H9 | 109.5° | 109.5° |
| H8 | C | H10 | 109.5° | 109.4° |
| H9 | C | H10 | 109.4° | 109.4° |
| H11 | C11 | H12 | 109.5° | 109.4° |
| H15 | C9 | H16 | 109.5° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | N | C10 | H6 | 120.6° | 123.6° |
| N | C9 | C8 | H15 | 120.9° | 120.1° |
| N | C9 | C8 | H16 | 120.9° | 120.3° |
| C9 | N | C10 | C11 | 59.0° | 69.1° |
| N | C9 | C8 | C7 | 0.5° | 17.1° |
| N | C9 | C8 | H3 | 179.5° | 162.9° |
| C9 | N | C10 | H4 | 60.9° | 50.6° |
| C9 | N | C10 | H5 | 179.0° | 171.1° |
| N | C9 | H15 | H16 | 117.2° | 119.6° |
| C10 | N | C9 | C8 | 29.9° | 51.0° |
| N | C10 | C11 | H4 | 120.0° | 119.7° |
| N | C10 | C11 | H5 | 120.0° | 119.9° |
| N | C10 | C11 | C7 | 58.0° | 49.2° |
| N | C10 | H4 | H5 | 120.1° | 120.6° |
| N | C10 | C11 | H11 | 178.0° | 70.9° |
| N | C10 | C11 | H12 | 62.0° | 169.3° |
| C10 | N | C9 | H15 | 150.8° | 69.1° |
| C10 | N | C9 | H16 | 91.0° | 171.4° |
| C9 | C8 | C7 | H3 | 180.0° | 180.0° |
| C9 | C8 | C7 | C11 | 2.1° | 0.6° |
| C9 | C8 | C7 | C4 | 175.6° | 179.7° |
| C8 | C9 | N | H6 | 150.5° | 174.6° |
| C8 | C9 | H15 | H16 | 117.2° | 119.7° |
| C10 | C11 | C7 | C8 | 30.5° | 16.8° |
| C10 | C11 | C7 | H11 | 120.0° | 120.1° |
| C10 | C11 | C7 | H12 | 120.0° | 120.0° |
| C10 | C11 | C7 | C4 | 147.2° | 163.5° |
| C11 | C10 | H4 | H5 | 120.1° | 120.4° |
| C11 | C10 | N | H6 | 179.7° | 167.3° |
| C10 | C11 | H11 | H12 | 120.0° | 119.9° |
| C8 | C7 | C11 | C4 | 177.7° | 179.7° |
| C8 | C7 | C4 | C5 | 136.0° | 65.0° |
| C8 | C7 | C4 | C3 | 46.5° | 114.7° |
| C8 | C7 | C11 | H11 | 150.5° | 103.3° |
| C8 | C7 | C11 | H12 | 89.5° | 136.9° |
| C7 | C8 | C9 | H15 | 121.4° | 103.0° |
| C7 | C8 | C9 | H16 | 120.4° | 137.4° |
| C11 | C7 | C4 | C5 | 41.6° | 115.3° |
| C11 | C7 | C4 | C3 | 135.9° | 65.0° |
| C11 | C7 | C8 | H3 | 177.9° | 179.4° |
| C7 | C11 | C10 | H4 | 61.9° | 70.5° |
| C7 | C11 | C10 | H5 | 178.0° | 169.1° |
| C7 | C11 | H11 | H12 | 120.0° | 119.8° |
| C7 | C4 | C5 | C3 | 177.5° | 179.7° |
| C7 | C4 | C5 | C6 | 174.6° | 179.7° |
| C7 | C4 | C3 | C2 | 174.9° | 179.7° |
| C7 | C4 | C5 | H1 | 5.4° | 0.3° |
| C4 | C7 | C8 | H3 | 4.4° | 0.3° |
| C4 | C7 | C11 | H11 | 27.2° | 76.4° |
| C4 | C7 | C11 | H12 | 92.8° | 43.4° |
| C7 | C4 | C3 | H14 | 5.1° | 0.2° |
| C4 | C5 | C6 | H1 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 2.6° | 0.0° |
| C4 | C5 | C6 | C1 | 0.2° | 0.0° |
| C4 | C5 | C6 | H2 | 179.9° | 180.0° |
| C5 | C4 | C3 | H14 | 177.4° | 180.0° |
| C3 | C4 | C5 | C6 | 3.0° | 0.0° |
| C4 | C3 | C2 | H14 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 0.5° | 0.0° |
| C3 | C4 | C5 | H1 | 177.0° | 180.0° |
| C4 | C3 | C2 | H13 | 179.5° | 180.0° |
| C5 | C6 | C1 | H2 | 180.0° | 180.0° |
| C5 | C6 | C1 | C2 | 3.1° | 0.0° |
| C5 | C6 | C1 | O | 171.3° | 180.0° |
| C3 | C2 | C1 | C6 | 3.4° | 0.0° |
| C3 | C2 | C1 | H13 | 180.0° | 180.0° |
| C3 | C2 | C1 | O | 171.8° | 179.9° |
| C6 | C1 | C2 | O | 175.2° | 180.0° |
| C6 | C1 | O | C | 7.2° | 180.0° |
| C1 | C6 | C5 | H1 | 179.8° | 180.0° |
| C6 | C1 | C2 | H13 | 176.6° | 180.0° |
| C2 | C1 | O | C | 178.0° | 0.0° |
| C2 | C1 | C6 | H2 | 176.9° | 180.0° |
| C1 | C2 | C3 | H14 | 179.5° | 180.0° |
| O | C1 | C6 | H2 | 8.7° | 0.1° |
| C1 | O | C | H8 | 180.0° | 60.0° |
| C1 | O | C | H9 | 60.0° | 60.0° |
| C1 | O | C | H10 | 60.0° | 180.0° |
| O | C1 | C2 | H13 | 8.2° | 0.0° |
| O | C | H8 | H9 | 120.0° | 120.0° |
| O | C | H8 | H10 | 120.0° | 120.0° |
| O | C | H9 | H10 | 120.0° | 120.0° |
| H1 | C5 | C6 | H2 | 0.1° | 0.0° |
| H3 | C8 | C9 | H15 | 58.6° | 76.9° |
| H3 | C8 | C9 | H16 | 59.6° | 42.6° |
| H4 | C10 | N | H6 | 59.7° | 73.0° |
| H4 | C10 | C11 | H11 | 58.1° | 169.4° |
| H4 | C10 | C11 | H12 | 178.1° | 49.6° |
| H5 | C10 | N | H6 | 60.4° | 47.5° |
| H5 | C10 | C11 | H11 | 62.0° | 49.0° |
| H5 | C10 | C11 | H12 | 58.0° | 70.8° |
| H6 | N | C9 | H15 | 88.6° | 54.5° |
| H6 | N | C9 | H16 | 29.6° | 65.0° |
| H8 | C | H9 | H10 | 120.0° | 120.0° |
| H13 | C2 | C3 | H14 | 0.5° | 0.1° |
