FKX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C11 | doub | 1.22Å | 1.40Å | |
| C17 | C15 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C11 | N10 | sing | 1.35Å | 1.34Å | |
| C11 | N13 | sing | 1.35Å | 1.35Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | N13 | sing | 1.47Å | 1.45Å | |
| N10 | C09 | sing | 1.39Å | 1.48Å | |
| N13 | C01 | sing | 1.39Å | 1.48Å | |
| C09 | C01 | doub | 1.40Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.39Å | 1.49Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.50Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.41Å | Aromatic |
| C02 | C03 | doub | 1.40Å | 1.42Å | Aromatic |
| C07 | C03 | sing | 1.40Å | 1.44Å | Aromatic |
| C03 | C04 | sing | 1.47Å | 1.52Å | |
| C04 | O05 | doub | 1.22Å | 1.26Å | |
| C04 | O06 | sing | 1.35Å | 1.26Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C02 | H7 | sing | 1.08Å | 1.08Å | |
| C07 | H8 | sing | 1.08Å | 1.08Å | |
| C08 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| N10 | H13 | sing | 0.97Å | 1.00Å | |
| O06 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C11 | N10 | 126.6° | 125.1° |
| O12 | C11 | N13 | 129.5° | 125.1° |
| C17 | C15 | C16 | 108.2° | 109.5° |
| C17 | C15 | C14 | 112.7° | 109.4° |
| C17 | C15 | H3 | 108.9° | 109.4° |
| C15 | C17 | H10 | 109.5° | 109.5° |
| C15 | C17 | H11 | 109.4° | 109.5° |
| C15 | C17 | H12 | 109.5° | 109.5° |
| C16 | C15 | C14 | 109.3° | 109.5° |
| C16 | C15 | H3 | 108.9° | 109.5° |
| C15 | C16 | H4 | 109.5° | 109.5° |
| C15 | C16 | H5 | 109.5° | 109.4° |
| C15 | C16 | H6 | 109.4° | 109.5° |
| N10 | C11 | N13 | 103.9° | 109.8° |
| C11 | N10 | C09 | 113.7° | 108.4° |
| C11 | N10 | H13 | 123.1° | 125.8° |
| C11 | N13 | C14 | 124.1° | 125.9° |
| C11 | N13 | C01 | 113.8° | 108.2° |
| C15 | C14 | N13 | 111.0° | 109.5° |
| C15 | C14 | H1 | 109.1° | 109.5° |
| C15 | C14 | H2 | 109.1° | 109.5° |
| C14 | C15 | H3 | 108.8° | 109.5° |
| C14 | N13 | C01 | 122.0° | 125.9° |
| N13 | C14 | H1 | 109.1° | 109.5° |
| N13 | C14 | H2 | 109.1° | 109.4° |
| N10 | C09 | C01 | 104.4° | 106.8° |
| N10 | C09 | C08 | 135.3° | 133.1° |
| C09 | N10 | H13 | 123.1° | 125.7° |
| N13 | C01 | C09 | 104.1° | 106.7° |
| N13 | C01 | C02 | 136.4° | 133.3° |
| C01 | C09 | C08 | 120.3° | 120.1° |
| C09 | C01 | C02 | 119.5° | 120.0° |
| C09 | C08 | C07 | 119.3° | 120.0° |
| C09 | C08 | H9 | 120.4° | 120.0° |
| C01 | C02 | C03 | 119.6° | 119.7° |
| C01 | C02 | H7 | 120.2° | 120.1° |
| C08 | C07 | C03 | 121.2° | 120.2° |
| C08 | C07 | H8 | 119.4° | 119.9° |
| C07 | C08 | H9 | 120.3° | 120.0° |
| C02 | C03 | C07 | 120.1° | 119.9° |
| C02 | C03 | C04 | 119.9° | 120.0° |
| C03 | C02 | H7 | 120.2° | 120.2° |
| C07 | C03 | C04 | 120.0° | 120.0° |
| C03 | C07 | H8 | 119.4° | 119.9° |
| C03 | C04 | O05 | 118.4° | 120.0° |
| C03 | C04 | O06 | 120.4° | 120.0° |
| O05 | C04 | O06 | 121.2° | 120.0° |
| C04 | O06 | H14 | 109.5° | 117.1° |
| H1 | C14 | H2 | 109.5° | 109.5° |
| H4 | C16 | H5 | 109.5° | 109.4° |
| H4 | C16 | H6 | 109.5° | 109.5° |
| H5 | C16 | H6 | 109.4° | 109.5° |
| H10 | C17 | H11 | 109.5° | 109.5° |
| H10 | C17 | H12 | 109.5° | 109.5° |
| H11 | C17 | H12 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C11 | N10 | N13 | 179.6° | 179.7° |
| O12 | C11 | N13 | C14 | 0.1° | 0.2° |
| O12 | C11 | N10 | C09 | 179.7° | 179.9° |
| O12 | C11 | N13 | C01 | 179.8° | 179.9° |
| O12 | C11 | N10 | H13 | 0.3° | 0.1° |
| C17 | C15 | C16 | C14 | 123.0° | 120.0° |
| C17 | C15 | C16 | H3 | 118.2° | 120.0° |
| C17 | C15 | C14 | H3 | 120.8° | 119.9° |
| C17 | C15 | C14 | N13 | 48.7° | 175.0° |
| C17 | C15 | C14 | H1 | 71.5° | 65.0° |
| C17 | C15 | C14 | H2 | 168.9° | 55.0° |
| C17 | C15 | C16 | H4 | 180.0° | 60.0° |
| C17 | C15 | C16 | H5 | 60.0° | 60.0° |
| C17 | C15 | C16 | H6 | 60.0° | 180.0° |
| C15 | C17 | H10 | H11 | 120.0° | 120.0° |
| C15 | C17 | H10 | H12 | 120.0° | 120.1° |
| C15 | C17 | H11 | H12 | 120.0° | 120.0° |
| C16 | C15 | C14 | H3 | 118.8° | 120.0° |
| C16 | C15 | C14 | N13 | 169.0° | 65.0° |
| C16 | C15 | C14 | H1 | 48.8° | 55.0° |
| C16 | C15 | C14 | H2 | 70.8° | 175.1° |
| C15 | C16 | H4 | H5 | 120.0° | 119.9° |
| C15 | C16 | H4 | H6 | 120.0° | 120.1° |
| C15 | C16 | H5 | H6 | 119.9° | 120.0° |
| C16 | C15 | C17 | H10 | 180.0° | 180.0° |
| C16 | C15 | C17 | H11 | 60.0° | 60.0° |
| C16 | C15 | C17 | H12 | 60.0° | 59.9° |
| N10 | C11 | N13 | C14 | 179.7° | 179.9° |
| C11 | N10 | C09 | H13 | 180.0° | 179.9° |
| N10 | C11 | N13 | C01 | 0.1° | 0.3° |
| C11 | N10 | C09 | C01 | 0.1° | 0.2° |
| C11 | N10 | C09 | C08 | 179.8° | 179.7° |
| C11 | N13 | C14 | C15 | 104.2° | 90.3° |
| C11 | N13 | C14 | C01 | 179.9° | 179.7° |
| N13 | C11 | N10 | C09 | 0.0° | 0.3° |
| C11 | N13 | C01 | C09 | 0.2° | 0.2° |
| C11 | N13 | C01 | C02 | 179.9° | 179.8° |
| C11 | N13 | C14 | H1 | 16.1° | 29.7° |
| C11 | N13 | C14 | H2 | 135.6° | 149.7° |
| N13 | C11 | N10 | H13 | 180.0° | 179.6° |
| C15 | C14 | N13 | H1 | 120.2° | 120.0° |
| C15 | C14 | N13 | H2 | 120.2° | 120.0° |
| C15 | C14 | N13 | C01 | 75.7° | 90.0° |
| C15 | C14 | H1 | H2 | 119.3° | 120.1° |
| C14 | C15 | C16 | H4 | 57.0° | 60.0° |
| C14 | C15 | C16 | H5 | 63.1° | 180.0° |
| C14 | C15 | C16 | H6 | 177.0° | 60.0° |
| C14 | C15 | C17 | H10 | 59.1° | 60.0° |
| C14 | C15 | C17 | H11 | 179.0° | 180.0° |
| C14 | C15 | C17 | H12 | 61.0° | 60.1° |
| C14 | N13 | C01 | C09 | 179.7° | 180.0° |
| C14 | N13 | C01 | C02 | 0.2° | 0.0° |
| N13 | C14 | H1 | H2 | 119.3° | 120.0° |
| N13 | C14 | C15 | H3 | 72.1° | 55.0° |
| N10 | C09 | C01 | N13 | 0.1° | 0.0° |
| N10 | C09 | C01 | C08 | 179.8° | 179.9° |
| N10 | C09 | C01 | C02 | 179.9° | 180.0° |
| N10 | C09 | C08 | C07 | 179.8° | 179.9° |
| N10 | C09 | C08 | H9 | 0.2° | 0.1° |
| N13 | C01 | C09 | C02 | 179.9° | 180.0° |
| N13 | C01 | C09 | C08 | 179.9° | 180.0° |
| N13 | C01 | C02 | C03 | 179.8° | 180.0° |
| C01 | N13 | C14 | H1 | 164.1° | 150.0° |
| C01 | N13 | C14 | H2 | 44.5° | 30.0° |
| N13 | C01 | C02 | H7 | 0.2° | 0.0° |
| C01 | C09 | C08 | C07 | 0.1° | 0.0° |
| C09 | C01 | C02 | C03 | 0.1° | 0.0° |
| C09 | C01 | C02 | H7 | 179.9° | 180.0° |
| C01 | C09 | C08 | H9 | 179.9° | 180.0° |
| C01 | C09 | N10 | H13 | 179.9° | 179.7° |
| C08 | C09 | C01 | C02 | 0.1° | 0.0° |
| C09 | C08 | C07 | H9 | 180.0° | 180.0° |
| C09 | C08 | C07 | C03 | 0.2° | 0.0° |
| C09 | C08 | C07 | H8 | 179.8° | 179.9° |
| C08 | C09 | N10 | H13 | 0.2° | 0.3° |
| C01 | C02 | C03 | H7 | 180.0° | 180.0° |
| C01 | C02 | C03 | C07 | 0.4° | 0.0° |
| C01 | C02 | C03 | C04 | 179.3° | 179.9° |
| C08 | C07 | C03 | C02 | 0.4° | 0.0° |
| C08 | C07 | C03 | H8 | 180.0° | 179.9° |
| C08 | C07 | C03 | C04 | 179.3° | 180.0° |
| C02 | C03 | C07 | C04 | 178.9° | 179.9° |
| C02 | C03 | C04 | O05 | 33.1° | 0.1° |
| C02 | C03 | C04 | O06 | 148.2° | 180.0° |
| C02 | C03 | C07 | H8 | 179.6° | 179.9° |
| C07 | C03 | C04 | O05 | 145.7° | 180.0° |
| C07 | C03 | C04 | O06 | 33.0° | 0.1° |
| C07 | C03 | C02 | H7 | 179.6° | 180.0° |
| C03 | C07 | C08 | H9 | 179.8° | 180.0° |
| C03 | C04 | O05 | O06 | 178.7° | 179.9° |
| C04 | C03 | C02 | H7 | 0.7° | 0.1° |
| C04 | C03 | C07 | H8 | 0.7° | 0.1° |
| C03 | C04 | O06 | H14 | 178.7° | 180.0° |
| O05 | C04 | O06 | H14 | 0.0° | 0.1° |
| H1 | C14 | C15 | H3 | 167.6° | 175.0° |
| H2 | C14 | C15 | H3 | 48.1° | 64.9° |
| H3 | C15 | C16 | H4 | 61.8° | 180.0° |
| H3 | C15 | C16 | H5 | 178.2° | 60.0° |
| H3 | C15 | C16 | H6 | 58.2° | 60.0° |
| H3 | C15 | C17 | H10 | 61.7° | 60.0° |
| H3 | C15 | C17 | H11 | 58.2° | 60.0° |
| H3 | C15 | C17 | H12 | 178.2° | 180.0° |
| H4 | C16 | H5 | H6 | 120.0° | 120.0° |
| H8 | C07 | C08 | H9 | 0.2° | 0.1° |
| H10 | C17 | H11 | H12 | 120.0° | 120.0° |
