GB9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C10 | sing | 1.35Å | 1.36Å | |
| C8 | C10 | doub | 1.39Å | 1.31Å | Aromatic |
| C8 | C5 | sing | 1.38Å | 1.52Å | Aromatic |
| C10 | C7 | sing | 1.39Å | 1.52Å | Aromatic |
| C5 | C1 | doub | 1.40Å | 1.31Å | Aromatic |
| C7 | C4 | doub | 1.38Å | 1.32Å | Aromatic |
| C1 | C4 | sing | 1.40Å | 1.52Å | Aromatic |
| C1 | C3 | sing | 1.48Å | 1.53Å | |
| N1 | C3 | sing | 1.35Å | 1.46Å | |
| N1 | C2 | sing | 1.40Å | 1.46Å | |
| C6 | C2 | doub | 1.39Å | 1.27Å | Aromatic |
| C6 | C11 | sing | 1.38Å | 1.49Å | Aromatic |
| C3 | O1 | doub | 1.22Å | 1.18Å | |
| C2 | C9 | sing | 1.39Å | 1.52Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.31Å | Aromatic |
| C9 | N2 | doub | 1.32Å | 1.28Å | Aromatic |
| C12 | N2 | sing | 1.32Å | 1.48Å | Aromatic |
| C12 | CL1 | sing | 1.74Å | 1.79Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C10 | C8 | 120.1° | 119.9° |
| F1 | C10 | C7 | 120.1° | 119.9° |
| C10 | C8 | C5 | 120.3° | 120.1° |
| C8 | C10 | C7 | 119.7° | 120.2° |
| C10 | C8 | H6 | 119.8° | 119.9° |
| C8 | C5 | C1 | 120.0° | 119.9° |
| C8 | C5 | H3 | 120.0° | 120.1° |
| C5 | C8 | H6 | 119.9° | 119.9° |
| C10 | C7 | C4 | 120.0° | 120.1° |
| C10 | C7 | H5 | 120.0° | 119.9° |
| C5 | C1 | C4 | 119.8° | 119.8° |
| C5 | C1 | C3 | 119.6° | 120.1° |
| C1 | C5 | H3 | 120.0° | 120.1° |
| C7 | C4 | C1 | 120.2° | 119.9° |
| C7 | C4 | H2 | 119.9° | 120.1° |
| C4 | C7 | H5 | 120.0° | 120.0° |
| C4 | C1 | C3 | 120.6° | 120.1° |
| C1 | C4 | H2 | 119.9° | 120.1° |
| C1 | C3 | N1 | 118.2° | 120.0° |
| C1 | C3 | O1 | 120.0° | 120.0° |
| C3 | N1 | C2 | 123.1° | 120.0° |
| N1 | C3 | O1 | 121.9° | 120.0° |
| C3 | N1 | H1 | 118.4° | 120.0° |
| N1 | C2 | C6 | 118.3° | 120.5° |
| N1 | C2 | C9 | 121.9° | 120.4° |
| C2 | N1 | H1 | 118.4° | 120.0° |
| C2 | C6 | C11 | 120.3° | 118.4° |
| C6 | C2 | C9 | 119.8° | 119.1° |
| C2 | C6 | H4 | 119.8° | 120.8° |
| C6 | C11 | C12 | 119.9° | 119.3° |
| C6 | C11 | H8 | 120.1° | 120.4° |
| C11 | C6 | H4 | 119.8° | 120.8° |
| C2 | C9 | N2 | 119.8° | 120.7° |
| C2 | C9 | H7 | 120.1° | 119.7° |
| C11 | C12 | N2 | 119.8° | 120.9° |
| C11 | C12 | CL1 | 119.3° | 119.6° |
| C12 | C11 | H8 | 120.1° | 120.3° |
| C9 | N2 | C12 | 120.4° | 121.7° |
| N2 | C9 | H7 | 120.1° | 119.6° |
| N2 | C12 | CL1 | 120.9° | 119.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C10 | C8 | C7 | 179.9° | 179.5° |
| F1 | C10 | C8 | C5 | 179.9° | 179.7° |
| F1 | C10 | C7 | C4 | 180.0° | 180.0° |
| F1 | C10 | C7 | H5 | 0.0° | 0.4° |
| F1 | C10 | C8 | H6 | 0.0° | 0.6° |
| C10 | C8 | C5 | H6 | 180.0° | 179.1° |
| C10 | C8 | C5 | C1 | 0.2° | 0.6° |
| C8 | C10 | C7 | C4 | 0.1° | 0.5° |
| C10 | C8 | C5 | H3 | 179.8° | 179.5° |
| C8 | C10 | C7 | H5 | 179.9° | 179.9° |
| C5 | C8 | C10 | C7 | 0.1° | 0.8° |
| C8 | C5 | C1 | H3 | 180.0° | 180.0° |
| C8 | C5 | C1 | C4 | 0.5° | 0.0° |
| C8 | C5 | C1 | C3 | 179.9° | 179.7° |
| C10 | C7 | C4 | H5 | 180.0° | 179.6° |
| C10 | C7 | C4 | C1 | 0.2° | 0.1° |
| C10 | C7 | C4 | H2 | 179.8° | 180.0° |
| C7 | C10 | C8 | H6 | 179.9° | 179.9° |
| C5 | C1 | C4 | C7 | 0.5° | 0.3° |
| C5 | C1 | C4 | C3 | 179.4° | 179.8° |
| C5 | C1 | C3 | N1 | 0.1° | 0.2° |
| C5 | C1 | C3 | O1 | 179.8° | 179.7° |
| C5 | C1 | C4 | H2 | 179.5° | 179.8° |
| C1 | C5 | C8 | H6 | 179.8° | 179.7° |
| C7 | C4 | C1 | H2 | 180.0° | 179.9° |
| C7 | C4 | C1 | C3 | 179.9° | 179.9° |
| C4 | C1 | C3 | N1 | 179.3° | 180.0° |
| C4 | C1 | C3 | O1 | 0.8° | 0.0° |
| C4 | C1 | C5 | H3 | 179.5° | 180.0° |
| C1 | C4 | C7 | H5 | 179.8° | 179.5° |
| C1 | C3 | N1 | O1 | 179.9° | 179.9° |
| C1 | C3 | N1 | C2 | 179.5° | 175.3° |
| C3 | C1 | C4 | H2 | 0.1° | 0.0° |
| C3 | C1 | C5 | H3 | 0.1° | 0.2° |
| C1 | C3 | N1 | H1 | 0.4° | 4.6° |
| C3 | N1 | C2 | H1 | 180.0° | 179.9° |
| C3 | N1 | C2 | C6 | 167.3° | 35.8° |
| C3 | N1 | C2 | C9 | 12.4° | 145.0° |
| N1 | C2 | C6 | C9 | 179.7° | 179.2° |
| N1 | C2 | C6 | C11 | 179.8° | 179.7° |
| C2 | N1 | C3 | O1 | 0.5° | 4.7° |
| N1 | C2 | C9 | N2 | 179.8° | 180.0° |
| N1 | C2 | C6 | H4 | 0.3° | 0.3° |
| N1 | C2 | C9 | H7 | 0.2° | 0.8° |
| C2 | C6 | C11 | H4 | 180.0° | 180.0° |
| C2 | C6 | C11 | C12 | 0.0° | 0.0° |
| C6 | C2 | C9 | N2 | 0.0° | 0.8° |
| C2 | C6 | C11 | H8 | 180.0° | 179.7° |
| C6 | C2 | C9 | H7 | 180.0° | 180.0° |
| C6 | C2 | N1 | H1 | 12.7° | 144.3° |
| C11 | C6 | C2 | C9 | 0.0° | 0.5° |
| C6 | C11 | C12 | H8 | 180.0° | 179.8° |
| C6 | C11 | C12 | N2 | 0.0° | 0.2° |
| C6 | C11 | C12 | CL1 | 180.0° | 179.8° |
| O1 | C3 | N1 | H1 | 179.5° | 175.3° |
| C2 | C9 | N2 | H7 | 180.0° | 179.2° |
| C2 | C9 | N2 | C12 | 0.0° | 0.5° |
| C9 | C2 | C6 | H4 | 180.0° | 179.5° |
| C9 | C2 | N1 | H1 | 167.6° | 34.9° |
| C11 | C12 | N2 | C9 | 0.0° | 0.0° |
| C11 | C12 | N2 | CL1 | 179.9° | 180.0° |
| C12 | C11 | C6 | H4 | 180.0° | 180.0° |
| C9 | N2 | C12 | CL1 | 180.0° | 180.0° |
| N2 | C12 | C11 | H8 | 180.0° | 180.0° |
| C12 | N2 | C9 | H7 | 180.0° | 179.7° |
| CL1 | C12 | C11 | H8 | 0.0° | 0.0° |
| H8 | C11 | C6 | H4 | 0.0° | 0.3° |
| H2 | C4 | C7 | H5 | 0.2° | 0.4° |
| H3 | C5 | C8 | H6 | 0.2° | 0.3° |
