9FT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C9 | doub | 1.39Å | 1.32Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.53Å | Aromatic |
| O3 | C9 | sing | 1.36Å | 1.40Å | |
| O3 | C12 | sing | 1.43Å | 1.40Å | |
| C9 | C8 | sing | 1.39Å | 1.52Å | Aromatic |
| C11 | C6 | doub | 1.38Å | 1.32Å | Aromatic |
| O2 | C3 | doub | 1.21Å | 1.19Å | |
| C6 | C7 | sing | 1.38Å | 1.52Å | Aromatic |
| C6 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | N1 | sing | 1.34Å | 1.47Å | |
| C3 | C4 | sing | 1.51Å | 1.55Å | |
| N1 | C2 | sing | 1.34Å | 1.43Å | |
| C8 | C7 | doub | 1.38Å | 1.31Å | Aromatic |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C2 | O1 | doub | 1.21Å | 1.19Å | |
| C2 | C1 | sing | 1.51Å | 1.49Å | |
| C5 | C1 | sing | 1.53Å | 1.51Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å | |
| N1 | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C10 | C11 | 119.8° | 119.9° |
| C10 | C9 | O3 | 120.8° | 120.0° |
| C10 | C9 | C8 | 120.1° | 119.9° |
| C9 | C10 | H4 | 120.1° | 120.0° |
| C10 | C11 | C6 | 120.0° | 120.1° |
| C11 | C10 | H4 | 120.1° | 120.1° |
| C10 | C11 | H5 | 120.0° | 120.0° |
| C9 | O3 | C12 | 113.2° | 117.0° |
| O3 | C9 | C8 | 119.0° | 120.1° |
| O3 | C12 | H8 | 109.5° | 109.5° |
| O3 | C12 | H9 | 109.5° | 109.5° |
| O3 | C12 | H10 | 109.4° | 109.5° |
| C9 | C8 | C7 | 119.9° | 120.0° |
| C9 | C8 | H12 | 120.0° | 120.0° |
| C11 | C6 | C7 | 119.8° | 120.1° |
| C11 | C6 | C4 | 121.6° | 119.9° |
| C6 | C11 | H5 | 120.0° | 120.0° |
| O2 | C3 | N1 | 119.5° | 119.3° |
| O2 | C3 | C4 | 120.8° | 119.3° |
| C7 | C6 | C4 | 118.5° | 120.0° |
| C6 | C7 | C8 | 120.3° | 120.1° |
| C6 | C7 | H3 | 119.8° | 120.0° |
| C6 | C4 | C3 | 111.6° | 109.5° |
| C6 | C4 | C5 | 109.5° | 109.7° |
| C6 | C4 | H11 | 108.7° | 109.5° |
| N1 | C3 | C4 | 119.6° | 121.3° |
| C3 | N1 | C2 | 120.4° | 122.6° |
| C3 | N1 | H13 | 119.8° | 118.8° |
| C3 | C4 | C5 | 110.2° | 109.3° |
| C3 | C4 | H11 | 108.3° | 109.5° |
| N1 | C2 | O1 | 119.9° | 119.4° |
| N1 | C2 | C1 | 119.8° | 121.3° |
| C2 | N1 | H13 | 119.8° | 118.7° |
| C8 | C7 | H3 | 119.8° | 119.9° |
| C7 | C8 | H12 | 120.1° | 120.0° |
| C4 | C5 | C1 | 111.2° | 108.6° |
| C4 | C5 | H1 | 109.0° | 109.6° |
| C4 | C5 | H2 | 109.0° | 109.8° |
| C5 | C4 | H11 | 108.5° | 109.3° |
| O1 | C2 | C1 | 120.3° | 119.3° |
| C2 | C1 | C5 | 112.6° | 109.2° |
| C2 | C1 | H6 | 108.7° | 109.6° |
| C2 | C1 | H7 | 108.7° | 109.5° |
| C1 | C5 | H1 | 109.0° | 109.6° |
| C1 | C5 | H2 | 109.0° | 109.6° |
| C5 | C1 | H6 | 108.7° | 109.5° |
| C5 | C1 | H7 | 108.7° | 109.5° |
| H1 | C5 | H2 | 109.5° | 109.6° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H8 | C12 | H9 | 109.5° | 109.4° |
| H8 | C12 | H10 | 109.5° | 109.5° |
| H9 | C12 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C10 | C11 | H4 | 180.0° | 179.1° |
| C10 | C9 | O3 | C8 | 179.8° | 179.5° |
| C10 | C9 | O3 | C12 | 130.3° | 0.5° |
| C9 | C10 | C11 | C6 | 0.1° | 0.6° |
| C10 | C9 | C8 | C7 | 0.0° | 0.5° |
| C9 | C10 | C11 | H5 | 179.9° | 179.4° |
| C10 | C9 | C8 | H12 | 180.0° | 180.0° |
| C11 | C10 | C9 | O3 | 180.0° | 179.7° |
| C11 | C10 | C9 | C8 | 0.2° | 0.8° |
| C10 | C11 | C6 | H5 | 180.0° | 180.0° |
| C10 | C11 | C6 | C7 | 0.3° | 0.0° |
| C10 | C11 | C6 | C4 | 179.6° | 179.7° |
| O3 | C9 | C8 | C7 | 179.8° | 180.0° |
| O3 | C9 | C10 | H4 | 0.0° | 0.6° |
| C9 | O3 | C12 | H8 | 180.0° | 60.1° |
| C9 | O3 | C12 | H9 | 60.0° | 180.0° |
| C9 | O3 | C12 | H10 | 60.0° | 60.0° |
| O3 | C9 | C8 | H12 | 0.2° | 0.5° |
| C12 | O3 | C9 | C8 | 49.4° | 180.0° |
| O3 | C12 | H8 | H9 | 120.0° | 120.0° |
| O3 | C12 | H8 | H10 | 120.0° | 120.0° |
| O3 | C12 | H9 | H10 | 119.9° | 120.1° |
| C9 | C8 | C7 | C6 | 0.4° | 0.1° |
| C9 | C8 | C7 | H12 | 180.0° | 179.5° |
| C9 | C8 | C7 | H3 | 179.6° | 180.0° |
| C8 | C9 | C10 | H4 | 179.8° | 179.9° |
| C11 | C6 | C7 | C4 | 179.3° | 179.8° |
| C11 | C6 | C4 | C3 | 55.1° | 59.8° |
| C11 | C6 | C7 | C8 | 0.5° | 0.3° |
| C11 | C6 | C4 | C5 | 67.2° | 60.2° |
| C11 | C6 | C7 | H3 | 179.5° | 179.8° |
| C6 | C11 | C10 | H4 | 179.9° | 179.7° |
| C11 | C6 | C4 | H11 | 174.4° | 179.9° |
| O2 | C3 | C4 | C6 | 36.2° | 31.0° |
| O2 | C3 | N1 | C4 | 178.2° | 180.0° |
| O2 | C3 | N1 | C2 | 175.0° | 179.5° |
| O2 | C3 | C4 | C5 | 158.1° | 151.2° |
| O2 | C3 | C4 | H11 | 83.4° | 89.1° |
| O2 | C3 | N1 | H13 | 5.0° | 0.5° |
| C7 | C6 | C4 | C3 | 125.6° | 120.0° |
| C6 | C7 | C8 | H3 | 180.0° | 179.9° |
| C7 | C6 | C4 | C5 | 112.1° | 120.1° |
| C7 | C6 | C11 | H5 | 179.7° | 180.0° |
| C7 | C6 | C4 | H11 | 6.3° | 0.1° |
| C6 | C7 | C8 | H12 | 179.6° | 179.4° |
| C6 | C4 | C3 | N1 | 145.7° | 149.0° |
| C6 | C4 | C3 | C5 | 121.9° | 120.2° |
| C6 | C4 | C3 | H11 | 119.6° | 120.1° |
| C4 | C6 | C7 | C8 | 179.9° | 179.9° |
| C6 | C4 | C5 | H11 | 118.5° | 120.1° |
| C6 | C4 | C5 | C1 | 176.1° | 175.4° |
| C6 | C4 | C5 | H1 | 63.6° | 55.7° |
| C6 | C4 | C5 | H2 | 55.9° | 64.7° |
| C4 | C6 | C7 | H3 | 0.1° | 0.0° |
| C4 | C6 | C11 | H5 | 0.4° | 0.2° |
| C3 | N1 | C2 | H13 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 23.8° | 28.8° |
| C3 | N1 | C2 | O1 | 179.5° | 179.4° |
| C3 | N1 | C2 | C1 | 0.5° | 0.8° |
| N1 | C3 | C4 | H11 | 94.7° | 90.9° |
| C4 | C3 | N1 | C2 | 3.1° | 0.5° |
| C3 | C4 | C5 | H11 | 118.4° | 119.9° |
| C3 | C4 | C5 | C1 | 53.0° | 55.4° |
| C3 | C4 | C5 | H1 | 173.2° | 64.3° |
| C3 | C4 | C5 | H2 | 67.3° | 175.2° |
| C4 | C3 | N1 | H13 | 176.9° | 179.4° |
| N1 | C2 | O1 | C1 | 179.9° | 179.7° |
| N1 | C2 | C1 | C5 | 29.7° | 29.3° |
| N1 | C2 | C1 | H6 | 150.2° | 149.3° |
| N1 | C2 | C1 | H7 | 90.8° | 90.6° |
| C4 | C5 | C1 | C2 | 57.1° | 55.6° |
| C4 | C5 | C1 | H1 | 120.2° | 119.7° |
| C4 | C5 | C1 | H2 | 120.2° | 120.0° |
| C4 | C5 | H1 | H2 | 119.2° | 120.6° |
| C4 | C5 | C1 | H6 | 177.6° | 175.5° |
| C4 | C5 | C1 | H7 | 63.4° | 64.3° |
| O1 | C2 | C1 | C5 | 150.3° | 150.9° |
| O1 | C2 | C1 | H6 | 29.9° | 31.0° |
| O1 | C2 | C1 | H7 | 89.2° | 89.2° |
| O1 | C2 | N1 | H13 | 0.5° | 0.6° |
| C2 | C1 | C5 | H6 | 120.5° | 120.0° |
| C2 | C1 | C5 | H7 | 120.5° | 119.9° |
| C2 | C1 | C5 | H1 | 177.3° | 64.1° |
| C2 | C1 | C5 | H2 | 63.1° | 175.5° |
| C2 | C1 | H6 | H7 | 118.6° | 120.1° |
| C1 | C2 | N1 | H13 | 179.5° | 179.2° |
| C1 | C5 | H1 | H2 | 119.2° | 120.4° |
| C5 | C1 | H6 | H7 | 118.5° | 120.1° |
| C1 | C5 | C4 | H11 | 65.4° | 64.5° |
| H1 | C5 | C1 | H6 | 62.2° | 55.8° |
| H1 | C5 | C1 | H7 | 56.9° | 176.0° |
| H1 | C5 | C4 | H11 | 54.8° | 175.8° |
| H2 | C5 | C1 | H6 | 57.4° | 64.5° |
| H2 | C5 | C1 | H7 | 176.4° | 55.6° |
| H2 | C5 | C4 | H11 | 174.4° | 55.3° |
| H3 | C7 | C8 | H12 | 0.4° | 0.5° |
| H4 | C10 | C11 | H5 | 0.1° | 0.3° |
| H8 | C12 | H9 | H10 | 120.0° | 120.0° |
