GF9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C13 | sing | 1.74Å | 1.79Å | |
| C13 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | N9 | sing | 1.40Å | 1.46Å | |
| N9 | C8 | sing | 1.46Å | 1.45Å | |
| C8 | C6 | sing | 1.51Å | 1.53Å | |
| C6 | N5 | sing | 1.33Å | 1.37Å | Aromatic |
| C6 | N7 | doub | 1.31Å | 1.37Å | Aromatic |
| N5 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
| N7 | N3 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | N3 | sing | 1.36Å | 1.40Å | Aromatic |
| C4 | N17 | sing | 1.36Å | 1.52Å | |
| N3 | C2 | sing | 1.35Å | 1.49Å | |
| N17 | C18 | doub | 1.29Å | 1.44Å | |
| C22 | C21 | sing | 1.53Å | 1.54Å | |
| C18 | C20 | sing | 1.51Å | 1.54Å | |
| C18 | C19 | sing | 1.52Å | 1.47Å | |
| C2 | O1 | doub | 1.21Å | 1.20Å | |
| C2 | C19 | sing | 1.52Å | 1.48Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| N9 | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C13 | C15 | 117.3° | 120.0° |
| CL1 | C13 | C12 | 122.3° | 119.9° |
| C15 | C13 | C12 | 120.4° | 120.1° |
| C13 | C15 | C16 | 119.7° | 120.1° |
| C13 | C15 | H1 | 120.1° | 120.0° |
| C13 | C12 | C11 | 119.8° | 120.0° |
| C13 | C12 | H12 | 120.1° | 120.0° |
| C15 | C16 | C10 | 120.8° | 119.9° |
| C16 | C15 | H1 | 120.2° | 119.9° |
| C15 | C16 | H13 | 119.6° | 120.0° |
| C12 | C11 | C10 | 119.2° | 120.0° |
| C12 | C11 | H11 | 120.4° | 120.0° |
| C11 | C12 | H12 | 120.1° | 120.0° |
| C16 | C10 | C11 | 120.1° | 119.9° |
| C16 | C10 | N9 | 117.5° | 120.1° |
| C10 | C16 | H13 | 119.6° | 120.0° |
| C11 | C10 | N9 | 122.5° | 120.1° |
| C10 | C11 | H11 | 120.4° | 120.0° |
| C10 | N9 | C8 | 120.1° | 120.0° |
| C10 | N9 | H16 | 106.8° | 120.0° |
| N9 | C8 | C6 | 111.4° | 109.5° |
| N9 | C8 | H9 | 109.0° | 109.4° |
| N9 | C8 | H10 | 109.0° | 109.5° |
| C8 | N9 | H16 | 106.7° | 120.0° |
| C8 | C6 | N5 | 124.1° | 125.3° |
| C8 | C6 | N7 | 126.2° | 125.3° |
| C6 | C8 | H9 | 109.0° | 109.5° |
| C6 | C8 | H10 | 109.0° | 109.5° |
| N5 | C6 | N7 | 109.7° | 109.5° |
| C6 | N5 | C4 | 108.3° | 110.0° |
| C6 | N7 | N3 | 106.0° | 106.9° |
| N5 | C4 | N3 | 108.4° | 107.0° |
| N5 | C4 | N17 | 130.5° | 130.0° |
| N7 | N3 | C4 | 107.6° | 106.7° |
| N7 | N3 | C2 | 132.1° | 131.7° |
| N3 | C4 | N17 | 121.1° | 123.0° |
| C4 | N3 | C2 | 120.2° | 121.6° |
| C4 | N17 | C18 | 119.3° | 123.3° |
| N3 | C2 | O1 | 119.5° | 121.3° |
| N3 | C2 | C19 | 119.4° | 117.4° |
| N17 | C18 | C20 | 118.2° | 120.7° |
| N17 | C18 | C19 | 120.1° | 118.5° |
| C22 | C21 | C20 | 113.0° | 109.5° |
| C22 | C21 | H4 | 108.6° | 109.5° |
| C22 | C21 | H5 | 108.6° | 109.5° |
| C21 | C22 | H6 | 109.5° | 109.5° |
| C21 | C22 | H7 | 109.5° | 109.4° |
| C21 | C22 | H8 | 109.5° | 109.5° |
| C20 | C18 | C19 | 121.7° | 120.8° |
| C18 | C20 | C21 | 110.2° | 109.5° |
| C18 | C20 | H2 | 109.3° | 109.5° |
| C18 | C20 | H3 | 109.3° | 109.4° |
| C18 | C19 | C2 | 119.8° | 116.2° |
| C18 | C19 | H14 | 106.8° | 108.1° |
| C18 | C19 | H15 | 106.8° | 108.1° |
| O1 | C2 | C19 | 121.0° | 121.3° |
| C2 | C19 | H14 | 106.8° | 108.2° |
| C2 | C19 | H15 | 106.8° | 108.1° |
| C21 | C20 | H2 | 109.3° | 109.5° |
| C21 | C20 | H3 | 109.3° | 109.5° |
| C20 | C21 | H4 | 108.6° | 109.5° |
| C20 | C21 | H5 | 108.6° | 109.5° |
| H2 | C20 | H3 | 109.5° | 109.4° |
| H4 | C21 | H5 | 109.5° | 109.4° |
| H6 | C22 | H7 | 109.5° | 109.5° |
| H6 | C22 | H8 | 109.5° | 109.5° |
| H7 | C22 | H8 | 109.5° | 109.5° |
| H9 | C8 | H10 | 109.5° | 109.5° |
| H14 | C19 | H15 | 109.5° | 107.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C13 | C15 | C12 | 179.6° | 179.8° |
| CL1 | C13 | C15 | C16 | 179.9° | 180.0° |
| CL1 | C13 | C12 | C11 | 179.9° | 180.0° |
| CL1 | C13 | C15 | H1 | 0.1° | 0.2° |
| CL1 | C13 | C12 | H12 | 0.1° | 0.1° |
| C13 | C15 | C16 | H1 | 180.0° | 179.7° |
| C15 | C13 | C12 | C11 | 0.5° | 0.2° |
| C13 | C15 | C16 | C10 | 0.8° | 0.0° |
| C15 | C13 | C12 | H12 | 179.5° | 179.7° |
| C13 | C15 | C16 | H13 | 179.3° | 180.0° |
| C12 | C13 | C15 | C16 | 0.4° | 0.2° |
| C13 | C12 | C11 | H12 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 0.8° | 0.1° |
| C12 | C13 | C15 | H1 | 179.5° | 180.0° |
| C13 | C12 | C11 | H11 | 179.2° | 180.0° |
| C15 | C16 | C10 | H13 | 180.0° | 179.9° |
| C15 | C16 | C10 | C11 | 1.1° | 0.2° |
| C15 | C16 | C10 | N9 | 179.2° | 180.0° |
| C12 | C11 | C10 | C16 | 1.1° | 0.3° |
| C12 | C11 | C10 | H11 | 180.0° | 179.9° |
| C12 | C11 | C10 | N9 | 179.2° | 179.9° |
| C16 | C10 | C11 | N9 | 179.7° | 179.8° |
| C16 | C10 | N9 | C8 | 132.9° | 0.2° |
| C10 | C16 | C15 | H1 | 179.2° | 179.8° |
| C16 | C10 | C11 | H11 | 178.9° | 179.8° |
| C16 | C10 | N9 | H16 | 105.6° | 179.7° |
| C11 | C10 | N9 | C8 | 46.8° | 180.0° |
| C10 | C11 | C12 | H12 | 179.2° | 180.0° |
| C11 | C10 | C16 | H13 | 178.9° | 179.7° |
| C11 | C10 | N9 | H16 | 74.7° | 0.1° |
| C10 | N9 | C8 | H16 | 121.5° | 179.9° |
| C10 | N9 | C8 | C6 | 178.1° | 180.0° |
| C10 | N9 | C8 | H9 | 57.8° | 60.0° |
| C10 | N9 | C8 | H10 | 61.6° | 60.0° |
| N9 | C10 | C11 | H11 | 0.8° | 0.0° |
| N9 | C10 | C16 | H13 | 0.8° | 0.1° |
| N9 | C8 | C6 | H9 | 120.3° | 120.0° |
| N9 | C8 | C6 | H10 | 120.3° | 120.1° |
| N9 | C8 | C6 | N5 | 14.2° | 90.0° |
| N9 | C8 | C6 | N7 | 164.6° | 90.0° |
| N9 | C8 | H9 | H10 | 119.1° | 120.0° |
| C8 | C6 | N5 | N7 | 178.9° | 180.0° |
| C8 | C6 | N5 | C4 | 178.8° | 180.0° |
| C8 | C6 | N7 | N3 | 178.8° | 180.0° |
| C6 | C8 | H9 | H10 | 119.1° | 120.0° |
| C6 | C8 | N9 | H16 | 60.4° | 0.0° |
| N5 | C6 | N7 | N3 | 0.1° | 0.0° |
| C6 | N5 | C4 | N3 | 0.2° | 0.0° |
| C6 | N5 | C4 | N17 | 179.6° | 180.0° |
| N5 | C6 | C8 | H9 | 106.1° | 150.0° |
| N5 | C6 | C8 | H10 | 134.4° | 30.1° |
| N7 | C6 | N5 | C4 | 0.2° | 0.0° |
| C6 | N7 | N3 | C4 | 0.1° | 0.1° |
| C6 | N7 | N3 | C2 | 179.8° | 179.9° |
| N7 | C6 | C8 | H9 | 75.1° | 30.0° |
| N7 | C6 | C8 | H10 | 44.3° | 150.0° |
| N5 | C4 | N3 | N7 | 0.2° | 0.0° |
| N5 | C4 | N3 | N17 | 179.8° | 180.0° |
| N5 | C4 | N3 | C2 | 180.0° | 179.9° |
| N5 | C4 | N17 | C18 | 179.7° | 179.8° |
| N7 | N3 | C4 | C2 | 179.8° | 179.9° |
| N7 | N3 | C4 | N17 | 179.6° | 180.0° |
| N7 | N3 | C2 | O1 | 0.3° | 0.1° |
| N7 | N3 | C2 | C19 | 179.9° | 179.7° |
| N3 | C4 | N17 | C18 | 0.6° | 0.3° |
| C4 | N3 | C2 | O1 | 180.0° | 180.0° |
| C4 | N3 | C2 | C19 | 0.2° | 0.2° |
| N17 | C4 | N3 | C2 | 0.2° | 0.1° |
| C4 | N17 | C18 | C20 | 180.0° | 179.7° |
| C4 | N17 | C18 | C19 | 0.6° | 0.2° |
| N3 | C2 | C19 | C18 | 0.1° | 0.3° |
| N3 | C2 | O1 | C19 | 179.8° | 179.8° |
| N3 | C2 | C19 | H14 | 121.6° | 122.0° |
| N3 | C2 | C19 | H15 | 121.3° | 121.5° |
| N17 | C18 | C20 | C19 | 179.3° | 179.8° |
| N17 | C18 | C19 | C2 | 0.3° | 0.1° |
| N17 | C18 | C20 | C21 | 69.0° | 0.1° |
| N17 | C18 | C20 | H2 | 51.1° | 120.0° |
| N17 | C18 | C20 | H3 | 170.9° | 120.1° |
| N17 | C18 | C19 | H14 | 121.2° | 121.9° |
| N17 | C18 | C19 | H15 | 121.7° | 121.7° |
| C22 | C21 | C20 | C18 | 134.0° | 179.9° |
| C22 | C21 | C20 | H4 | 120.5° | 120.1° |
| C22 | C21 | C20 | H5 | 120.5° | 120.0° |
| C22 | C21 | C20 | H2 | 13.8° | 60.0° |
| C22 | C21 | C20 | H3 | 105.9° | 60.0° |
| C22 | C21 | H4 | H5 | 118.4° | 120.0° |
| C21 | C22 | H6 | H7 | 120.0° | 120.0° |
| C21 | C22 | H6 | H8 | 120.0° | 120.0° |
| C21 | C22 | H7 | H8 | 120.0° | 120.0° |
| C20 | C18 | C19 | C2 | 179.6° | 179.9° |
| C18 | C20 | C21 | H2 | 120.1° | 120.1° |
| C18 | C20 | C21 | H3 | 120.1° | 120.0° |
| C18 | C20 | H2 | H3 | 119.7° | 119.9° |
| C18 | C20 | C21 | H4 | 13.5° | 60.0° |
| C18 | C20 | C21 | H5 | 105.5° | 59.9° |
| C20 | C18 | C19 | H14 | 58.2° | 58.3° |
| C20 | C18 | C19 | H15 | 58.9° | 58.2° |
| C18 | C19 | C2 | O1 | 179.9° | 180.0° |
| C18 | C19 | C2 | H14 | 121.5° | 121.7° |
| C18 | C19 | C2 | H15 | 121.5° | 121.7° |
| C19 | C18 | C20 | C21 | 110.3° | 180.0° |
| C19 | C18 | C20 | H2 | 129.6° | 59.9° |
| C19 | C18 | C20 | H3 | 9.8° | 60.0° |
| C18 | C19 | H14 | H15 | 115.3° | 116.6° |
| O1 | C2 | C19 | H14 | 58.6° | 58.2° |
| O1 | C2 | C19 | H15 | 58.5° | 58.3° |
| C2 | C19 | H14 | H15 | 115.3° | 116.7° |
| C21 | C20 | H2 | H3 | 119.6° | 120.0° |
| C20 | C21 | H4 | H5 | 118.4° | 120.0° |
| C20 | C21 | C22 | H6 | 180.0° | 60.0° |
| C20 | C21 | C22 | H7 | 60.0° | 180.0° |
| C20 | C21 | C22 | H8 | 60.0° | 60.0° |
| H1 | C15 | C16 | H13 | 0.8° | 0.3° |
| H2 | C20 | C21 | H4 | 106.7° | 60.1° |
| H2 | C20 | C21 | H5 | 134.4° | 180.0° |
| H3 | C20 | C21 | H4 | 133.6° | 180.0° |
| H3 | C20 | C21 | H5 | 14.6° | 60.0° |
| H4 | C21 | C22 | H6 | 59.5° | 60.0° |
| H4 | C21 | C22 | H7 | 60.5° | 60.0° |
| H4 | C21 | C22 | H8 | 179.5° | 179.9° |
| H5 | C21 | C22 | H6 | 59.5° | 179.9° |
| H5 | C21 | C22 | H7 | 179.5° | 60.0° |
| H5 | C21 | C22 | H8 | 60.5° | 60.0° |
| H6 | C22 | H7 | H8 | 120.0° | 120.1° |
| H9 | C8 | N9 | H16 | 179.3° | 119.9° |
| H10 | C8 | N9 | H16 | 59.9° | 120.1° |
| H11 | C11 | C12 | H12 | 0.8° | 0.1° |
