FX6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C16 | C12 | sing | 1.53Å | 1.55Å | |
| C12 | S11 | sing | 1.81Å | 1.85Å | |
| C12 | C13 | sing | 1.51Å | 1.55Å | |
| N03 | C01 | sing | 1.38Å | 1.38Å | Aromatic |
| N03 | C07 | sing | 1.37Å | 1.32Å | Aromatic |
| N04 | C01 | doub | 1.33Å | 1.38Å | Aromatic |
| N04 | C08 | sing | 1.32Å | 1.33Å | Aromatic |
| S11 | C07 | sing | 1.76Å | 1.84Å | |
| C01 | C02 | sing | 1.40Å | 1.38Å | Aromatic |
| C07 | N05 | doub | 1.31Å | 1.34Å | Aromatic |
| C08 | N09 | doub | 1.32Å | 1.33Å | Aromatic |
| C13 | O14 | doub | 1.21Å | 1.27Å | |
| C13 | O15 | sing | 1.34Å | 1.27Å | |
| C02 | N05 | sing | 1.36Å | 1.37Å | Aromatic |
| C02 | C06 | doub | 1.40Å | 1.44Å | Aromatic |
| N09 | C06 | sing | 1.33Å | 1.34Å | Aromatic |
| C06 | N10 | sing | 1.39Å | 1.45Å | |
| N10 | H1 | sing | 0.97Å | 1.00Å | |
| N10 | H2 | sing | 0.97Å | 1.00Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| N03 | H10 | sing | 0.97Å | 1.00Å | |
| O15 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C16 | C12 | 114.8° | 109.5° |
| C17 | C16 | H4 | 108.1° | 109.5° |
| C17 | C16 | H5 | 108.1° | 109.5° |
| C16 | C17 | H7 | 109.5° | 109.5° |
| C16 | C17 | H8 | 109.5° | 109.5° |
| C16 | C17 | H9 | 109.5° | 109.5° |
| C16 | C12 | S11 | 110.9° | 109.5° |
| C16 | C12 | C13 | 108.2° | 109.5° |
| C16 | C12 | H3 | 108.6° | 109.5° |
| C12 | C16 | H4 | 108.1° | 109.5° |
| C12 | C16 | H5 | 108.1° | 109.5° |
| S11 | C12 | C13 | 115.1° | 109.5° |
| C12 | S11 | C07 | 115.5° | 100.0° |
| S11 | C12 | H3 | 105.4° | 109.5° |
| C12 | C13 | O14 | 119.0° | 120.0° |
| C12 | C13 | O15 | 121.2° | 120.0° |
| C13 | C12 | H3 | 108.5° | 109.5° |
| C01 | N03 | C07 | 110.3° | 107.4° |
| N03 | C01 | N04 | 134.5° | 134.7° |
| N03 | C01 | C02 | 106.4° | 106.2° |
| C01 | N03 | H10 | 124.9° | 126.3° |
| N03 | C07 | S11 | 126.8° | 125.1° |
| N03 | C07 | N05 | 106.9° | 109.7° |
| C07 | N03 | H10 | 124.8° | 126.3° |
| C01 | N04 | C08 | 122.0° | 120.6° |
| N04 | C01 | C02 | 119.0° | 119.1° |
| N04 | C08 | N09 | 120.4° | 122.4° |
| N04 | C08 | H6 | 119.8° | 118.8° |
| S11 | C07 | N05 | 126.3° | 125.2° |
| C01 | C02 | N05 | 105.7° | 107.3° |
| C01 | C02 | C06 | 117.4° | 118.2° |
| C07 | N05 | C02 | 110.7° | 109.4° |
| C08 | N09 | C06 | 121.8° | 121.2° |
| N09 | C08 | H6 | 119.8° | 118.8° |
| O14 | C13 | O15 | 119.8° | 120.0° |
| C13 | O15 | H12 | 109.5° | 117.0° |
| N05 | C02 | C06 | 136.9° | 134.5° |
| C02 | C06 | N09 | 119.3° | 118.5° |
| C02 | C06 | N10 | 121.7° | 120.8° |
| N09 | C06 | N10 | 119.0° | 120.8° |
| C06 | N10 | H1 | 109.5° | 120.0° |
| C06 | N10 | H2 | 109.5° | 120.0° |
| H1 | N10 | H2 | 109.5° | 120.0° |
| H4 | C16 | H5 | 109.5° | 109.5° |
| H7 | C17 | H8 | 109.4° | 109.5° |
| H7 | C17 | H9 | 109.5° | 109.5° |
| H8 | C17 | H9 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C16 | C12 | H4 | 120.8° | 120.0° |
| C17 | C16 | C12 | H5 | 120.8° | 120.0° |
| C17 | C16 | C12 | S11 | 160.9° | 65.6° |
| C17 | C16 | C12 | C13 | 72.0° | 174.4° |
| C17 | C16 | C12 | H3 | 45.6° | 54.4° |
| C17 | C16 | H4 | H5 | 117.6° | 120.0° |
| C16 | C17 | H7 | H8 | 120.0° | 120.0° |
| C16 | C17 | H7 | H9 | 120.0° | 120.0° |
| C16 | C17 | H8 | H9 | 120.0° | 120.0° |
| C16 | C12 | S11 | C13 | 123.2° | 120.0° |
| C16 | C12 | S11 | H3 | 117.3° | 120.0° |
| C16 | C12 | C13 | H3 | 117.6° | 120.0° |
| C16 | C12 | S11 | C07 | 156.9° | 171.7° |
| C16 | C12 | C13 | O14 | 118.9° | 100.0° |
| C16 | C12 | C13 | O15 | 59.4° | 80.0° |
| C12 | C16 | H4 | H5 | 117.6° | 120.0° |
| C12 | C16 | C17 | H7 | 180.0° | 65.2° |
| C12 | C16 | C17 | H8 | 60.0° | 174.7° |
| C12 | C16 | C17 | H9 | 60.0° | 54.8° |
| S11 | C12 | C13 | H3 | 117.8° | 120.0° |
| C12 | S11 | C07 | N03 | 41.4° | 174.7° |
| C12 | S11 | C07 | N05 | 138.7° | 5.4° |
| S11 | C12 | C13 | O14 | 116.6° | 20.0° |
| S11 | C12 | C13 | O15 | 65.1° | 160.0° |
| S11 | C12 | C16 | H4 | 78.3° | 54.4° |
| S11 | C12 | C16 | H5 | 40.1° | 174.4° |
| C13 | C12 | S11 | C07 | 80.0° | 68.3° |
| C12 | C13 | O14 | O15 | 178.3° | 180.0° |
| C13 | C12 | C16 | H4 | 48.8° | 65.6° |
| C13 | C12 | C16 | H5 | 167.2° | 54.4° |
| C12 | C13 | O15 | H12 | 178.3° | 180.0° |
| C01 | N03 | C07 | H10 | 180.0° | 180.0° |
| N03 | C01 | N04 | C02 | 179.9° | 179.7° |
| N03 | C01 | N04 | C08 | 179.9° | 179.7° |
| C01 | N03 | C07 | S11 | 179.6° | 180.0° |
| C01 | N03 | C07 | N05 | 0.5° | 0.0° |
| N03 | C01 | C02 | N05 | 0.1° | 0.0° |
| N03 | C01 | C02 | C06 | 180.0° | 180.0° |
| C07 | N03 | C01 | N04 | 179.8° | 179.7° |
| N03 | C07 | S11 | N05 | 180.0° | 179.9° |
| C07 | N03 | C01 | C02 | 0.3° | 0.0° |
| N03 | C07 | N05 | C02 | 0.4° | 0.0° |
| C01 | N04 | C08 | N09 | 0.2° | 0.5° |
| N04 | C01 | C02 | N05 | 180.0° | 179.8° |
| N04 | C01 | C02 | C06 | 0.1° | 0.2° |
| C01 | N04 | C08 | H6 | 179.8° | 179.8° |
| N04 | C01 | N03 | H10 | 0.2° | 0.3° |
| C08 | N04 | C01 | C02 | 0.0° | 0.0° |
| N04 | C08 | N09 | H6 | 180.0° | 179.3° |
| N04 | C08 | N09 | C06 | 0.3° | 0.7° |
| S11 | C07 | N05 | C02 | 179.6° | 180.0° |
| C07 | S11 | C12 | H3 | 39.6° | 51.7° |
| S11 | C07 | N03 | H10 | 0.4° | 0.0° |
| C01 | C02 | N05 | C07 | 0.2° | 0.0° |
| C01 | C02 | N05 | C06 | 179.9° | 180.0° |
| C01 | C02 | C06 | N09 | 0.1° | 0.0° |
| C01 | C02 | C06 | N10 | 179.7° | 180.0° |
| C02 | C01 | N03 | H10 | 179.7° | 180.0° |
| C07 | N05 | C02 | C06 | 179.6° | 180.0° |
| N05 | C07 | N03 | H10 | 179.6° | 180.0° |
| C08 | N09 | C06 | C02 | 0.1° | 0.5° |
| C08 | N09 | C06 | N10 | 179.5° | 179.6° |
| O14 | C13 | C12 | H3 | 1.2° | 140.0° |
| O14 | C13 | O15 | H12 | 0.0° | 0.0° |
| O15 | C13 | C12 | H3 | 177.0° | 40.0° |
| N05 | C02 | C06 | N09 | 179.9° | 180.0° |
| N05 | C02 | C06 | N10 | 0.4° | 0.0° |
| C02 | C06 | N09 | N10 | 179.7° | 180.0° |
| C02 | C06 | N10 | H1 | 179.7° | 0.1° |
| C02 | C06 | N10 | H2 | 60.3° | 179.7° |
| N09 | C06 | N10 | H1 | 0.0° | 180.0° |
| N09 | C06 | N10 | H2 | 120.0° | 0.2° |
| C06 | N09 | C08 | H6 | 179.7° | 180.0° |
| C06 | N10 | H1 | H2 | 120.0° | 179.8° |
| H3 | C12 | C16 | H4 | 166.4° | 174.4° |
| H3 | C12 | C16 | H5 | 75.2° | 65.6° |
| H4 | C16 | C17 | H7 | 59.2° | 54.8° |
| H4 | C16 | C17 | H8 | 60.8° | 65.3° |
| H4 | C16 | C17 | H9 | 179.2° | 174.8° |
| H5 | C16 | C17 | H7 | 59.2° | 174.8° |
| H5 | C16 | C17 | H8 | 179.2° | 54.7° |
| H5 | C16 | C17 | H9 | 60.8° | 65.2° |
| H7 | C17 | H8 | H9 | 120.0° | 120.0° |
