FKS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | C11 | sing | 1.43Å | 1.41Å | |
| F16 | C12 | sing | 1.40Å | 1.34Å | |
| O14 | C11 | sing | 1.43Å | 1.43Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C12 | F17 | sing | 1.40Å | 1.31Å | |
| C12 | F15 | sing | 1.40Å | 1.31Å | |
| C2 | N1 | sing | 1.47Å | 1.46Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C4 | N5 | sing | 1.47Å | 1.46Å | |
| N5 | C6 | sing | 1.47Å | 1.46Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| N5 | H17 | sing | 1.01Å | 1.00Å | |
| N1 | H19 | sing | 1.01Å | 1.00Å | |
| N1 | H20 | sing | 1.01Å | 1.00Å | |
| O13 | H22 | sing | 0.97Å | 0.95Å | |
| O14 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | C11 | O14 | 107.1° | 109.5° |
| O13 | C11 | C12 | 108.8° | 109.5° |
| O13 | C11 | C10 | 110.6° | 109.4° |
| C11 | O13 | H22 | 109.5° | 114.0° |
| F16 | C12 | C11 | 108.6° | 109.4° |
| F16 | C12 | F17 | 107.3° | 109.5° |
| F16 | C12 | F15 | 109.0° | 109.5° |
| O14 | C11 | C12 | 107.7° | 109.5° |
| O14 | C11 | C10 | 111.5° | 109.5° |
| C11 | O14 | H23 | 109.5° | 114.0° |
| C12 | C11 | C10 | 111.0° | 109.4° |
| C11 | C12 | F17 | 111.7° | 109.5° |
| C11 | C12 | F15 | 112.0° | 109.4° |
| C11 | C10 | C9 | 115.4° | 109.4° |
| C11 | C10 | H15 | 108.0° | 109.5° |
| C11 | C10 | H16 | 108.0° | 109.5° |
| F17 | C12 | F15 | 108.1° | 109.5° |
| N1 | C2 | C3 | 108.8° | 109.5° |
| N1 | C2 | H1 | 109.7° | 109.5° |
| N1 | C2 | H2 | 109.7° | 109.5° |
| C2 | N1 | H19 | 109.5° | 111.0° |
| C2 | N1 | H20 | 109.5° | 111.0° |
| C2 | C3 | C4 | 111.9° | 109.5° |
| C3 | C2 | H1 | 109.6° | 109.4° |
| C3 | C2 | H2 | 109.6° | 109.5° |
| C2 | C3 | H3 | 108.9° | 109.5° |
| C2 | C3 | H4 | 108.9° | 109.4° |
| C10 | C9 | C8 | 109.8° | 109.4° |
| C10 | C9 | H13 | 109.4° | 109.5° |
| C10 | C9 | H14 | 109.4° | 109.5° |
| C9 | C10 | H15 | 108.0° | 109.5° |
| C9 | C10 | H16 | 108.0° | 109.4° |
| C9 | C8 | C7 | 109.3° | 109.5° |
| C9 | C8 | H11 | 109.6° | 109.5° |
| C9 | C8 | H12 | 109.5° | 109.5° |
| C8 | C9 | H13 | 109.4° | 109.4° |
| C8 | C9 | H14 | 109.4° | 109.4° |
| C8 | C7 | C6 | 108.5° | 109.5° |
| C8 | C7 | H9 | 109.7° | 109.5° |
| C8 | C7 | H10 | 109.7° | 109.5° |
| C7 | C8 | H11 | 109.5° | 109.5° |
| C7 | C8 | H12 | 109.5° | 109.4° |
| C7 | C6 | N5 | 112.2° | 109.5° |
| C7 | C6 | H7 | 108.8° | 109.5° |
| C7 | C6 | H8 | 108.8° | 109.5° |
| C6 | C7 | H9 | 109.7° | 109.5° |
| C6 | C7 | H10 | 109.7° | 109.4° |
| C3 | C4 | N5 | 111.3° | 109.5° |
| C4 | C3 | H3 | 108.9° | 109.5° |
| C4 | C3 | H4 | 108.9° | 109.5° |
| C3 | C4 | H5 | 109.0° | 109.5° |
| C3 | C4 | H6 | 109.0° | 109.4° |
| C4 | N5 | C6 | 120.4° | 111.0° |
| N5 | C4 | H5 | 109.0° | 109.5° |
| N5 | C4 | H6 | 109.0° | 109.5° |
| C4 | N5 | H17 | 106.7° | 111.0° |
| N5 | C6 | H7 | 108.8° | 109.4° |
| N5 | C6 | H8 | 108.8° | 109.5° |
| C6 | N5 | H17 | 106.7° | 111.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H3 | C3 | H4 | 109.5° | 109.4° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.4° |
| H9 | C7 | H10 | 109.5° | 109.4° |
| H11 | C8 | H12 | 109.4° | 109.4° |
| H13 | C9 | H14 | 109.5° | 109.5° |
| H15 | C10 | H16 | 109.5° | 109.5° |
| H19 | N1 | H20 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | C11 | C12 | F16 | 62.7° | 180.0° |
| O13 | C11 | O14 | C12 | 116.9° | 120.0° |
| O13 | C11 | O14 | C10 | 121.1° | 120.0° |
| O13 | C11 | C12 | C10 | 121.9° | 119.9° |
| O13 | C11 | C12 | F17 | 55.4° | 60.0° |
| O13 | C11 | C12 | F15 | 176.8° | 60.1° |
| O13 | C11 | C10 | C9 | 57.2° | 60.0° |
| O13 | C11 | C10 | H15 | 63.7° | 180.0° |
| O13 | C11 | C10 | H16 | 178.1° | 60.0° |
| O13 | C11 | O14 | H23 | 180.0° | 179.9° |
| F16 | C12 | C11 | O14 | 53.1° | 60.0° |
| F16 | C12 | C11 | F17 | 118.1° | 120.0° |
| F16 | C12 | C11 | F15 | 120.5° | 120.0° |
| F16 | C12 | C11 | C10 | 175.4° | 60.0° |
| F16 | C12 | F17 | F15 | 117.4° | 120.1° |
| O14 | C11 | C12 | C10 | 122.3° | 120.0° |
| O14 | C11 | C12 | F17 | 171.2° | 180.0° |
| O14 | C11 | C12 | F15 | 67.4° | 60.0° |
| O14 | C11 | C10 | C9 | 61.8° | 60.0° |
| O14 | C11 | C10 | H15 | 177.3° | 60.0° |
| O14 | C11 | C10 | H16 | 59.0° | 179.9° |
| O14 | C11 | O13 | H22 | 180.0° | 180.0° |
| C11 | C12 | F17 | F15 | 123.7° | 120.0° |
| C12 | C11 | C10 | C9 | 178.1° | 180.0° |
| C12 | C11 | C10 | H15 | 57.2° | 60.0° |
| C12 | C11 | C10 | H16 | 61.1° | 60.0° |
| C12 | C11 | O13 | H22 | 63.9° | 59.9° |
| C12 | C11 | O14 | H23 | 63.1° | 60.0° |
| C10 | C11 | C12 | F17 | 66.5° | 60.0° |
| C10 | C11 | C12 | F15 | 54.9° | 180.0° |
| C11 | C10 | C9 | H15 | 120.9° | 120.0° |
| C11 | C10 | C9 | H16 | 120.8° | 120.0° |
| C11 | C10 | C9 | C8 | 163.3° | 180.0° |
| C11 | C10 | C9 | H13 | 43.3° | 60.1° |
| C11 | C10 | C9 | H14 | 76.6° | 60.0° |
| C11 | C10 | H15 | H16 | 117.3° | 120.0° |
| C10 | C11 | O13 | H22 | 58.3° | 60.0° |
| C10 | C11 | O14 | H23 | 58.9° | 60.0° |
| N1 | C2 | C3 | H1 | 119.9° | 120.0° |
| N1 | C2 | C3 | H2 | 119.9° | 120.0° |
| N1 | C2 | C3 | C4 | 176.9° | 179.9° |
| N1 | C2 | H1 | H2 | 120.4° | 120.0° |
| N1 | C2 | C3 | H3 | 56.5° | 60.0° |
| N1 | C2 | C3 | H4 | 62.8° | 60.0° |
| C2 | N1 | H19 | H20 | 120.0° | 124.0° |
| C2 | C3 | C4 | H3 | 120.4° | 120.1° |
| C2 | C3 | C4 | H4 | 120.3° | 120.0° |
| C2 | C3 | C4 | N5 | 179.9° | 180.0° |
| C3 | C2 | H1 | H2 | 120.3° | 119.9° |
| C2 | C3 | H3 | H4 | 118.9° | 119.9° |
| C2 | C3 | C4 | H5 | 59.8° | 59.9° |
| C2 | C3 | C4 | H6 | 59.7° | 60.0° |
| C3 | C2 | N1 | H19 | 180.0° | 180.0° |
| C3 | C2 | N1 | H20 | 60.0° | 56.0° |
| C10 | C9 | C8 | H13 | 120.1° | 120.0° |
| C10 | C9 | C8 | H14 | 120.1° | 120.0° |
| C10 | C9 | C8 | C7 | 163.5° | 180.0° |
| C10 | C9 | C8 | H11 | 43.5° | 60.0° |
| C10 | C9 | C8 | H12 | 76.5° | 60.0° |
| C10 | C9 | H13 | H14 | 119.9° | 120.1° |
| C9 | C10 | H15 | H16 | 117.3° | 120.0° |
| C9 | C8 | C7 | H11 | 120.0° | 120.1° |
| C9 | C8 | C7 | H12 | 120.0° | 120.0° |
| C9 | C8 | C7 | C6 | 175.7° | 180.0° |
| C9 | C8 | C7 | H9 | 55.8° | 60.0° |
| C9 | C8 | C7 | H10 | 64.5° | 60.0° |
| C9 | C8 | H11 | H12 | 120.1° | 120.0° |
| C8 | C9 | H13 | H14 | 119.8° | 120.0° |
| C8 | C9 | C10 | H15 | 75.8° | 59.9° |
| C8 | C9 | C10 | H16 | 42.5° | 60.1° |
| C8 | C7 | C6 | H9 | 119.8° | 120.1° |
| C8 | C7 | C6 | H10 | 119.8° | 120.0° |
| C8 | C7 | C6 | N5 | 175.8° | 180.0° |
| C8 | C7 | C6 | H7 | 55.4° | 60.0° |
| C8 | C7 | C6 | H8 | 63.8° | 60.0° |
| C8 | C7 | H9 | H10 | 120.4° | 120.0° |
| C7 | C8 | H11 | H12 | 120.0° | 119.9° |
| C7 | C8 | C9 | H13 | 76.4° | 60.0° |
| C7 | C8 | C9 | H14 | 43.4° | 60.0° |
| C7 | C6 | N5 | C4 | 50.0° | 180.0° |
| C7 | C6 | N5 | H7 | 120.4° | 120.0° |
| C7 | C6 | N5 | H8 | 120.4° | 120.1° |
| C7 | C6 | H7 | H8 | 118.8° | 120.0° |
| C6 | C7 | H9 | H10 | 120.4° | 119.9° |
| C6 | C7 | C8 | H11 | 64.3° | 59.9° |
| C6 | C7 | C8 | H12 | 55.7° | 60.0° |
| C7 | C6 | N5 | H17 | 171.5° | 56.0° |
| C3 | C4 | N5 | H5 | 120.3° | 120.0° |
| C3 | C4 | N5 | H6 | 120.3° | 119.9° |
| C3 | C4 | N5 | C6 | 179.3° | 180.0° |
| C4 | C3 | C2 | H1 | 63.2° | 60.0° |
| C4 | C3 | C2 | H2 | 57.0° | 59.9° |
| C4 | C3 | H3 | H4 | 118.9° | 120.0° |
| C3 | C4 | H5 | H6 | 119.2° | 119.9° |
| C3 | C4 | N5 | H17 | 59.2° | 56.0° |
| C4 | N5 | C6 | H17 | 121.5° | 123.9° |
| N5 | C4 | C3 | H3 | 59.6° | 60.0° |
| N5 | C4 | C3 | H4 | 59.7° | 60.0° |
| N5 | C4 | H5 | H6 | 119.2° | 120.1° |
| C4 | N5 | C6 | H7 | 170.4° | 60.0° |
| C4 | N5 | C6 | H8 | 70.4° | 60.0° |
| C6 | N5 | C4 | H5 | 59.0° | 60.0° |
| C6 | N5 | C4 | H6 | 60.5° | 60.1° |
| N5 | C6 | H7 | H8 | 118.8° | 119.9° |
| N5 | C6 | C7 | H9 | 64.4° | 59.9° |
| N5 | C6 | C7 | H10 | 55.9° | 60.0° |
| H1 | C2 | C3 | H3 | 176.4° | 60.1° |
| H1 | C2 | C3 | H4 | 57.1° | NaN° |
| H1 | C2 | N1 | H19 | 60.1° | 60.0° |
| H1 | C2 | N1 | H20 | 59.9° | 176.0° |
| H2 | C2 | C3 | H3 | 63.4° | 180.0° |
| H2 | C2 | C3 | H4 | 177.3° | 60.1° |
| H2 | C2 | N1 | H19 | 60.1° | 60.0° |
| H2 | C2 | N1 | H20 | 179.9° | 64.0° |
| H3 | C3 | C4 | H5 | 179.9° | 180.0° |
| H3 | C3 | C4 | H6 | 60.7° | 60.0° |
| H4 | C3 | C4 | H5 | 60.5° | 60.0° |
| H4 | C3 | C4 | H6 | 180.0° | 180.0° |
| H5 | C4 | N5 | H17 | 179.5° | 176.1° |
| H6 | C4 | N5 | H17 | 61.1° | 63.9° |
| H7 | C6 | C7 | H9 | 175.2° | 60.0° |
| H7 | C6 | C7 | H10 | 64.5° | 180.0° |
| H7 | C6 | N5 | H17 | 68.1° | 64.0° |
| H8 | C6 | C7 | H9 | 56.0° | 180.0° |
| H8 | C6 | C7 | H10 | 176.3° | 60.0° |
| H8 | C6 | N5 | H17 | 51.1° | 176.1° |
| H9 | C7 | C8 | H11 | 175.8° | 180.0° |
| H9 | C7 | C8 | H12 | 64.2° | 60.0° |
| H10 | C7 | C8 | H11 | 55.5° | 60.0° |
| H10 | C7 | C8 | H12 | 175.5° | 180.0° |
| H11 | C8 | C9 | H13 | 163.6° | 180.0° |
| H11 | C8 | C9 | H14 | 76.6° | 60.0° |
| H12 | C8 | C9 | H13 | 43.5° | 60.0° |
| H12 | C8 | C9 | H14 | 163.4° | 180.0° |
| H13 | C9 | C10 | H15 | 164.2° | 179.9° |
| H13 | C9 | C10 | H16 | 77.5° | 59.9° |
| H14 | C9 | C10 | H15 | 44.3° | 60.0° |
| H14 | C9 | C10 | H16 | 162.6° | 180.0° |
