GFE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| N4 | C3 | sing | 1.37Å | 1.32Å | |
| C11 | C1 | sing | 1.53Å | 1.53Å | |
| N3 | C3 | doub | 1.32Å | 1.34Å | |
| N3 | C2 | sing | 1.34Å | 1.34Å | |
| C3 | N5 | sing | 1.38Å | 1.38Å | |
| N2 | C2 | sing | 1.38Å | 1.34Å | |
| CL2 | C7 | sing | 1.74Å | 1.73Å | |
| C2 | N1 | doub | 1.31Å | 1.35Å | |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | N5 | sing | 1.40Å | 1.44Å | |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| N5 | C1 | sing | 1.47Å | 1.49Å | |
| C1 | N1 | sing | 1.47Å | 1.47Å | |
| C1 | C10 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | CL1 | sing | 1.74Å | 1.73Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| N4 | H8 | sing | 0.97Å | 1.00Å | |
| N4 | H9 | sing | 0.97Å | 1.00Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C7 | 119.0° | 120.0° |
| C8 | C9 | C4 | 121.7° | 120.0° |
| C9 | C8 | H10 | 120.5° | 120.0° |
| C8 | C9 | H11 | 119.1° | 120.0° |
| C8 | C7 | CL2 | 119.2° | 119.9° |
| C8 | C7 | C6 | 119.6° | 120.1° |
| C7 | C8 | H10 | 120.5° | 120.0° |
| C9 | C4 | N5 | 119.8° | 120.1° |
| C9 | C4 | C5 | 118.6° | 119.9° |
| C4 | C9 | H11 | 119.2° | 120.0° |
| N4 | C3 | N3 | 117.9° | 120.7° |
| N4 | C3 | N5 | 118.9° | 120.7° |
| C3 | N4 | H8 | 120.0° | 120.0° |
| C3 | N4 | H9 | 120.0° | 120.0° |
| C11 | C1 | N5 | 111.1° | 109.8° |
| C11 | C1 | N1 | 107.2° | 109.7° |
| C11 | C1 | C10 | 107.1° | 109.7° |
| C1 | C11 | H15 | 109.5° | 109.5° |
| C1 | C11 | H16 | 109.5° | 109.4° |
| C1 | C11 | H17 | 109.4° | 109.5° |
| C3 | N3 | C2 | 116.3° | 120.9° |
| N3 | C3 | N5 | 123.1° | 118.6° |
| N3 | C2 | N2 | 116.9° | 119.0° |
| N3 | C2 | N1 | 124.4° | 122.0° |
| C3 | N5 | C4 | 121.0° | 121.2° |
| C3 | N5 | C1 | 122.0° | 117.7° |
| N2 | C2 | N1 | 118.5° | 119.0° |
| C2 | N2 | H5 | 120.0° | 119.9° |
| C2 | N2 | H6 | 120.0° | 120.0° |
| CL2 | C7 | C6 | 121.2° | 120.0° |
| C2 | N1 | C1 | 120.1° | 120.4° |
| C7 | C6 | C5 | 121.2° | 120.0° |
| C7 | C6 | CL1 | 120.5° | 120.0° |
| N5 | C4 | C5 | 121.4° | 120.0° |
| C4 | N5 | C1 | 116.4° | 121.1° |
| C4 | C5 | C6 | 119.7° | 119.9° |
| C4 | C5 | H2 | 120.1° | 120.0° |
| N5 | C1 | N1 | 108.1° | 108.3° |
| N5 | C1 | C10 | 111.1° | 109.7° |
| N1 | C1 | C10 | 112.1° | 109.7° |
| C1 | C10 | H12 | 109.5° | 109.5° |
| C1 | C10 | H13 | 109.5° | 109.5° |
| C1 | C10 | H14 | 109.5° | 109.5° |
| C5 | C6 | CL1 | 118.2° | 120.0° |
| C6 | C5 | H2 | 120.2° | 120.1° |
| H5 | N2 | H6 | 120.0° | 120.1° |
| H8 | N4 | H9 | 120.0° | 120.0° |
| H12 | C10 | H13 | 109.5° | 109.5° |
| H12 | C10 | H14 | 109.4° | 109.4° |
| H13 | C10 | H14 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.5° | 109.5° |
| H15 | C11 | H17 | 109.5° | 109.5° |
| H16 | C11 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C7 | H10 | 180.0° | 179.4° |
| C8 | C9 | C4 | H11 | 180.0° | 179.3° |
| C9 | C8 | C7 | CL2 | 179.9° | 179.7° |
| C9 | C8 | C7 | C6 | 1.3° | 0.3° |
| C8 | C9 | C4 | N5 | 177.5° | 179.7° |
| C8 | C9 | C4 | C5 | 2.6° | 0.6° |
| C7 | C8 | C9 | C4 | 0.4° | 0.6° |
| C8 | C7 | CL2 | C6 | 178.8° | 180.0° |
| C8 | C7 | C6 | C5 | 0.8° | 0.0° |
| C8 | C7 | C6 | CL1 | 177.5° | 180.0° |
| C7 | C8 | C9 | H11 | 179.6° | 179.9° |
| C9 | C4 | N5 | C3 | 77.7° | 83.2° |
| C9 | C4 | N5 | C5 | 174.7° | 179.7° |
| C9 | C4 | N5 | C1 | 93.7° | 96.7° |
| C9 | C4 | C5 | C6 | 4.6° | 0.3° |
| C9 | C4 | C5 | H2 | 175.4° | 179.7° |
| C4 | C9 | C8 | H10 | 179.6° | 180.0° |
| N4 | C3 | N3 | N5 | 177.8° | 179.9° |
| N4 | C3 | N3 | C2 | 178.1° | 178.8° |
| N4 | C3 | N5 | C4 | 6.0° | 29.5° |
| N4 | C3 | N5 | C1 | 177.0° | 150.6° |
| C3 | N4 | H8 | H9 | 180.0° | 179.9° |
| C11 | C1 | N5 | C3 | 101.6° | 159.8° |
| C11 | C1 | N1 | C2 | 92.1° | 146.7° |
| C11 | C1 | N5 | C4 | 69.7° | 20.1° |
| C11 | C1 | N5 | N1 | 117.3° | 119.7° |
| C11 | C1 | N5 | C10 | 119.2° | 120.6° |
| C11 | C1 | N1 | C10 | 117.3° | 120.6° |
| C11 | C1 | C10 | H12 | 180.0° | 60.6° |
| C11 | C1 | C10 | H13 | 60.0° | 59.5° |
| C11 | C1 | C10 | H14 | 60.0° | 179.5° |
| C1 | C11 | H15 | H16 | 120.0° | 120.0° |
| C1 | C11 | H15 | H17 | 120.0° | 120.0° |
| C1 | C11 | H16 | H17 | 120.0° | 120.0° |
| C3 | N3 | C2 | N2 | 174.8° | 167.0° |
| C3 | N3 | C2 | N1 | 9.2° | 13.1° |
| N3 | C3 | N5 | C4 | 171.7° | 150.6° |
| N3 | C3 | N5 | C1 | 0.8° | 29.3° |
| N3 | C3 | N4 | H8 | 0.0° | 176.1° |
| N3 | C3 | N4 | H9 | 180.0° | 4.0° |
| C2 | N3 | C3 | N5 | 4.1° | 1.1° |
| N3 | C2 | N2 | N1 | 176.3° | 179.9° |
| N3 | C2 | N1 | C1 | 27.1° | 2.1° |
| N3 | C2 | N2 | H5 | 0.0° | 179.9° |
| N3 | C2 | N2 | H6 | 180.0° | 0.0° |
| C3 | N5 | C4 | C1 | 171.4° | 179.9° |
| C3 | N5 | C4 | C5 | 107.5° | 96.5° |
| C3 | N5 | C1 | N1 | 15.8° | 40.1° |
| C3 | N5 | C1 | C10 | 139.2° | 79.6° |
| N5 | C3 | N4 | H8 | 177.9° | 4.0° |
| N5 | C3 | N4 | H9 | 2.1° | 175.9° |
| N2 | C2 | N1 | C1 | 156.9° | 177.8° |
| C2 | N2 | H5 | H6 | 180.0° | 180.0° |
| CL2 | C7 | C6 | C5 | 178.0° | 180.0° |
| CL2 | C7 | C6 | CL1 | 1.3° | 0.0° |
| CL2 | C7 | C8 | H10 | 0.1° | 0.2° |
| C2 | N1 | C1 | N5 | 27.8° | 27.0° |
| C2 | N1 | C1 | C10 | 150.6° | 92.7° |
| N1 | C2 | N2 | H5 | 176.3° | 0.0° |
| N1 | C2 | N2 | H6 | 3.7° | 180.0° |
| C7 | C6 | C5 | C4 | 3.8° | 0.0° |
| C7 | C6 | C5 | CL1 | 176.8° | 179.9° |
| C7 | C6 | C5 | H2 | 176.2° | 180.0° |
| C6 | C7 | C8 | H10 | 178.7° | 179.7° |
| C4 | N5 | C1 | N1 | 172.9° | 139.8° |
| C4 | N5 | C1 | C10 | 49.5° | 100.5° |
| N5 | C4 | C5 | C6 | 179.4° | 179.9° |
| N5 | C4 | C5 | H2 | 0.6° | 0.0° |
| N5 | C4 | C9 | H11 | 2.5° | 0.4° |
| C5 | C4 | N5 | C1 | 81.1° | 83.6° |
| C4 | C5 | C6 | H2 | 180.0° | 179.9° |
| C4 | C5 | C6 | CL1 | 179.4° | 180.0° |
| C5 | C4 | C9 | H11 | 177.4° | 179.9° |
| N5 | C1 | N1 | C10 | 122.8° | 119.6° |
| N5 | C1 | C10 | H12 | 58.4° | 178.8° |
| N5 | C1 | C10 | H13 | 178.5° | 61.2° |
| N5 | C1 | C10 | H14 | 61.6° | 58.9° |
| N5 | C1 | C11 | H15 | 180.0° | 54.8° |
| N5 | C1 | C11 | H16 | 60.0° | 65.2° |
| N5 | C1 | C11 | H17 | 60.0° | 174.8° |
| N1 | C1 | C10 | H12 | 62.7° | 60.0° |
| N1 | C1 | C10 | H13 | 57.4° | 180.0° |
| N1 | C1 | C10 | H14 | 177.3° | 59.9° |
| N1 | C1 | C11 | H15 | 62.1° | 64.0° |
| N1 | C1 | C11 | H16 | 57.9° | 175.9° |
| N1 | C1 | C11 | H17 | 177.9° | 56.0° |
| C1 | C10 | H12 | H13 | 120.0° | 120.0° |
| C1 | C10 | H12 | H14 | 120.0° | 120.0° |
| C1 | C10 | H13 | H14 | 120.0° | 120.1° |
| C10 | C1 | C11 | H15 | 58.4° | 175.4° |
| C10 | C1 | C11 | H16 | 178.4° | 55.4° |
| C10 | C1 | C11 | H17 | 61.6° | 64.6° |
| CL1 | C6 | C5 | H2 | 0.6° | 0.1° |
| H10 | C8 | C9 | H11 | 0.4° | 0.6° |
| H12 | C10 | H13 | H14 | 120.0° | 119.9° |
| H15 | C11 | H16 | H17 | 120.0° | 120.0° |
