JF4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAK | doub | 1.31Å | 1.32Å | |
| CAB | CAK | sing | 1.51Å | 1.50Å | |
| CAK | CAL | sing | 1.51Å | 1.49Å | |
| CAG | CAL | sing | 1.53Å | 1.52Å | |
| CAG | CAI | sing | 1.53Å | 1.52Å | |
| CAL | CAJ | sing | 1.53Å | 1.52Å | |
| CAI | CAO | sing | 1.53Å | 1.52Å | |
| CAJ | NAN | sing | 1.47Å | 1.47Å | |
| CAO | NAN | sing | 1.47Å | 1.48Å | |
| CAO | CAH | sing | 1.53Å | 1.53Å | |
| CAO | CAD | sing | 1.53Å | 1.52Å | |
| NAN | CAM | sing | 1.47Å | 1.48Å | |
| CAH | CAE | sing | 1.53Å | 1.52Å | |
| CAM | CAC | sing | 1.53Å | 1.52Å | |
| CAM | CAF | sing | 1.53Å | 1.53Å | |
| CAE | CAF | sing | 1.53Å | 1.52Å | |
| CAA | H1 | sing | 1.08Å | 1.08Å | |
| CAA | H2 | sing | 1.08Å | 1.08Å | |
| CAB | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAL | H6 | sing | 1.09Å | 1.10Å | |
| CAG | H7 | sing | 1.09Å | 1.10Å | |
| CAG | H8 | sing | 1.09Å | 1.10Å | |
| CAI | H9 | sing | 1.09Å | 1.10Å | |
| CAI | H10 | sing | 1.09Å | 1.10Å | |
| CAD | H11 | sing | 1.09Å | 1.10Å | |
| CAD | H12 | sing | 1.09Å | 1.10Å | |
| CAD | H13 | sing | 1.09Å | 1.10Å | |
| CAJ | H15 | sing | 1.09Å | 1.10Å | |
| CAJ | H16 | sing | 1.09Å | 1.10Å | |
| CAH | H17 | sing | 1.09Å | 1.10Å | |
| CAH | H18 | sing | 1.09Å | 1.10Å | |
| CAE | H19 | sing | 1.09Å | 1.10Å | |
| CAE | H20 | sing | 1.09Å | 1.10Å | |
| CAF | H21 | sing | 1.09Å | 1.10Å | |
| CAF | H22 | sing | 1.09Å | 1.10Å | |
| CAM | H23 | sing | 1.09Å | 1.10Å | |
| CAC | H24 | sing | 1.09Å | 1.10Å | |
| CAC | H25 | sing | 1.09Å | 1.10Å | |
| CAC | H26 | sing | 1.09Å | 1.10Å | |
| NAN | H14 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAK | CAB | 120.7° | 120.0° |
| CAA | CAK | CAL | 120.2° | 120.0° |
| CAK | CAA | H1 | 120.0° | 120.0° |
| CAK | CAA | H2 | 120.0° | 120.0° |
| CAB | CAK | CAL | 119.1° | 120.0° |
| CAK | CAB | H3 | 109.5° | 109.5° |
| CAK | CAB | H4 | 109.5° | 109.4° |
| CAK | CAB | H5 | 109.4° | 109.5° |
| CAK | CAL | CAG | 108.1° | 109.5° |
| CAK | CAL | CAJ | 109.0° | 109.5° |
| CAK | CAL | H6 | 110.7° | 109.5° |
| CAL | CAG | CAI | 111.5° | 109.1° |
| CAG | CAL | CAJ | 108.2° | 109.3° |
| CAG | CAL | H6 | 110.3° | 109.5° |
| CAL | CAG | H7 | 108.9° | 109.6° |
| CAL | CAG | H8 | 109.0° | 109.5° |
| CAG | CAI | CAO | 112.0° | 109.3° |
| CAI | CAG | H7 | 108.9° | 109.6° |
| CAI | CAG | H8 | 108.9° | 109.5° |
| CAG | CAI | H9 | 108.8° | 109.5° |
| CAG | CAI | H10 | 108.8° | 109.5° |
| CAL | CAJ | NAN | 109.3° | 109.6° |
| CAJ | CAL | H6 | 110.3° | 109.5° |
| CAL | CAJ | H15 | 109.5° | 109.4° |
| CAL | CAJ | H16 | 109.5° | 109.5° |
| CAI | CAO | NAN | 110.9° | 109.6° |
| CAI | CAO | CAH | 108.8° | 109.5° |
| CAI | CAO | CAD | 107.6° | 109.4° |
| CAO | CAI | H9 | 108.9° | 109.5° |
| CAO | CAI | H10 | 108.8° | 109.5° |
| CAJ | NAN | CAO | 111.3° | 109.8° |
| CAJ | NAN | CAM | 108.7° | 109.5° |
| NAN | CAJ | H15 | 109.5° | 109.5° |
| NAN | CAJ | H16 | 109.5° | 109.4° |
| CAJ | NAN | H14 | 108.5° | 109.0° |
| NAN | CAO | CAH | 111.1° | 109.6° |
| NAN | CAO | CAD | 108.8° | 109.4° |
| CAO | NAN | CAM | 111.3° | 109.7° |
| CAO | NAN | H14 | 108.5° | 109.4° |
| CAH | CAO | CAD | 109.6° | 109.4° |
| CAO | CAH | CAE | 111.9° | 109.2° |
| CAO | CAH | H17 | 108.9° | 109.5° |
| CAO | CAH | H18 | 108.8° | 109.5° |
| CAO | CAD | H11 | 109.5° | 109.5° |
| CAO | CAD | H12 | 109.5° | 109.4° |
| CAO | CAD | H13 | 109.5° | 109.5° |
| NAN | CAM | CAC | 109.6° | 109.5° |
| NAN | CAM | CAF | 110.7° | 109.5° |
| NAN | CAM | H23 | 109.0° | 109.4° |
| CAM | NAN | H14 | 108.5° | 109.4° |
| CAH | CAE | CAF | 110.1° | 109.1° |
| CAE | CAH | H17 | 108.9° | 109.5° |
| CAE | CAH | H18 | 108.8° | 109.5° |
| CAH | CAE | H19 | 109.3° | 109.6° |
| CAH | CAE | H20 | 109.3° | 109.5° |
| CAC | CAM | CAF | 110.6° | 109.5° |
| CAC | CAM | H23 | 108.5° | 109.5° |
| CAM | CAC | H24 | 109.5° | 109.5° |
| CAM | CAC | H25 | 109.5° | 109.4° |
| CAM | CAC | H26 | 109.5° | 109.5° |
| CAM | CAF | CAE | 110.8° | 109.3° |
| CAM | CAF | H21 | 109.2° | 109.5° |
| CAM | CAF | H22 | 109.1° | 109.6° |
| CAF | CAM | H23 | 108.4° | 109.4° |
| CAF | CAE | H19 | 109.3° | 109.5° |
| CAF | CAE | H20 | 109.3° | 109.5° |
| CAE | CAF | H21 | 109.1° | 109.5° |
| CAE | CAF | H22 | 109.2° | 109.5° |
| H1 | CAA | H2 | 120.0° | 120.0° |
| H3 | CAB | H4 | 109.5° | 109.5° |
| H3 | CAB | H5 | 109.5° | 109.4° |
| H4 | CAB | H5 | 109.5° | 109.5° |
| H7 | CAG | H8 | 109.5° | 109.6° |
| H9 | CAI | H10 | 109.5° | 109.6° |
| H11 | CAD | H12 | 109.4° | 109.5° |
| H11 | CAD | H13 | 109.5° | 109.5° |
| H12 | CAD | H13 | 109.5° | 109.5° |
| H15 | CAJ | H16 | 109.5° | 109.4° |
| H17 | CAH | H18 | 109.5° | 109.6° |
| H19 | CAE | H20 | 109.5° | 109.6° |
| H21 | CAF | H22 | 109.4° | 109.5° |
| H24 | CAC | H25 | 109.5° | 109.5° |
| H24 | CAC | H26 | 109.5° | 109.5° |
| H25 | CAC | H26 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAK | CAB | CAL | 179.7° | 180.0° |
| CAA | CAK | CAL | CAG | 117.2° | 120.2° |
| CAA | CAK | CAL | CAJ | 125.4° | 120.0° |
| CAK | CAA | H1 | H2 | 180.0° | 179.8° |
| CAA | CAK | CAB | H3 | 180.0° | 90.0° |
| CAA | CAK | CAB | H4 | 60.0° | 150.0° |
| CAA | CAK | CAB | H5 | 60.0° | 30.0° |
| CAA | CAK | CAL | H6 | 3.8° | 0.1° |
| CAB | CAK | CAL | CAG | 62.5° | 59.8° |
| CAB | CAK | CAL | CAJ | 54.9° | 60.0° |
| CAB | CAK | CAA | H1 | 179.7° | 180.0° |
| CAB | CAK | CAA | H2 | 0.3° | 0.2° |
| CAK | CAB | H3 | H4 | 120.0° | 120.0° |
| CAK | CAB | H3 | H5 | 120.0° | 120.0° |
| CAK | CAB | H4 | H5 | 119.9° | 120.0° |
| CAB | CAK | CAL | H6 | 176.5° | 179.9° |
| CAK | CAL | CAG | CAJ | 118.0° | 120.0° |
| CAK | CAL | CAG | H6 | 121.2° | 120.1° |
| CAK | CAL | CAG | CAI | 174.4° | 176.9° |
| CAK | CAL | CAJ | H6 | 121.8° | 120.1° |
| CAK | CAL | CAJ | NAN | 179.6° | 179.9° |
| CAL | CAK | CAA | H1 | 0.0° | 0.1° |
| CAL | CAK | CAA | H2 | 180.0° | 179.7° |
| CAL | CAK | CAB | H3 | 0.3° | 90.0° |
| CAL | CAK | CAB | H4 | 119.7° | 30.1° |
| CAL | CAK | CAB | H5 | 120.3° | 150.0° |
| CAK | CAL | CAG | H7 | 65.3° | 63.2° |
| CAK | CAL | CAG | H8 | 54.1° | 57.0° |
| CAK | CAL | CAJ | H15 | 59.6° | 59.9° |
| CAK | CAL | CAJ | H16 | 60.5° | 60.0° |
| CAL | CAG | CAI | H7 | 120.3° | 119.9° |
| CAL | CAG | CAI | H8 | 120.3° | 119.9° |
| CAG | CAL | CAJ | H6 | 120.8° | 119.9° |
| CAL | CAG | CAI | CAO | 51.5° | 56.9° |
| CAG | CAL | CAJ | NAN | 62.2° | 60.0° |
| CAL | CAG | H7 | H8 | 119.1° | 120.2° |
| CAL | CAG | CAI | H9 | 68.9° | 63.0° |
| CAL | CAG | CAI | H10 | 171.8° | 176.8° |
| CAG | CAL | CAJ | H15 | 57.8° | 60.1° |
| CAG | CAL | CAJ | H16 | 177.9° | 179.9° |
| CAI | CAG | CAL | CAJ | 56.5° | 56.9° |
| CAG | CAI | CAO | H9 | 120.4° | 119.9° |
| CAG | CAI | CAO | H10 | 120.4° | 119.9° |
| CAG | CAI | CAO | NAN | 50.7° | 60.0° |
| CAG | CAI | CAO | CAH | 71.8° | 60.2° |
| CAG | CAI | CAO | CAD | 169.6° | 179.9° |
| CAI | CAG | CAL | H6 | 64.3° | 63.0° |
| CAI | CAG | H7 | H8 | 119.0° | 120.2° |
| CAG | CAI | H9 | H10 | 118.8° | 120.1° |
| CAL | CAJ | NAN | H15 | 120.0° | 120.0° |
| CAL | CAJ | NAN | H16 | 120.0° | 120.1° |
| CAL | CAJ | NAN | CAO | 63.6° | 63.2° |
| CAL | CAJ | NAN | CAM | 173.5° | 176.2° |
| CAJ | CAL | CAG | H7 | 176.7° | 176.8° |
| CAJ | CAL | CAG | H8 | 63.8° | 63.0° |
| CAL | CAJ | H15 | H16 | 120.1° | 119.9° |
| CAL | CAJ | NAN | H14 | 55.7° | 56.6° |
| CAI | CAO | NAN | CAJ | 57.2° | 63.2° |
| CAI | CAO | NAN | CAH | 121.2° | 120.2° |
| CAI | CAO | NAN | CAD | 118.1° | 120.0° |
| CAI | CAO | CAH | CAD | 117.3° | 119.9° |
| CAI | CAO | NAN | CAM | 178.6° | 176.4° |
| CAI | CAO | CAH | CAE | 177.1° | 179.6° |
| CAO | CAI | CAG | H7 | 171.7° | 176.8° |
| CAO | CAI | CAG | H8 | 68.8° | 63.0° |
| CAO | CAI | H9 | H10 | 118.8° | 120.1° |
| CAI | CAO | CAD | H11 | 180.0° | 60.1° |
| CAI | CAO | CAD | H12 | 60.0° | 180.0° |
| CAI | CAO | CAD | H13 | 60.0° | 60.0° |
| CAI | CAO | CAH | H17 | 62.6° | 59.7° |
| CAI | CAO | CAH | H18 | 56.7° | 60.5° |
| CAI | CAO | NAN | H14 | 62.1° | 56.4° |
| CAJ | NAN | CAO | CAM | 121.4° | 120.4° |
| CAJ | NAN | CAO | H14 | 119.3° | 119.6° |
| CAJ | NAN | CAO | CAH | 64.0° | 57.0° |
| CAJ | NAN | CAO | CAD | 175.3° | 176.9° |
| CAJ | NAN | CAM | H14 | 117.8° | 119.4° |
| CAJ | NAN | CAM | CAC | 58.5° | 62.7° |
| CAJ | NAN | CAM | CAF | 63.7° | 57.3° |
| NAN | CAJ | CAL | H6 | 58.6° | 59.9° |
| NAN | CAJ | H15 | H16 | 120.1° | 119.9° |
| CAJ | NAN | CAM | H23 | 177.1° | 177.2° |
| NAN | CAO | CAH | CAD | 120.2° | 119.9° |
| CAO | NAN | CAM | H14 | 119.3° | 120.0° |
| NAN | CAO | CAH | CAE | 54.6° | 60.2° |
| CAO | NAN | CAM | CAC | 178.6° | 176.7° |
| CAO | NAN | CAM | CAF | 59.2° | 63.3° |
| NAN | CAO | CAI | H9 | 69.7° | 60.0° |
| NAN | CAO | CAI | H10 | 171.1° | 179.9° |
| NAN | CAO | CAD | H11 | 59.8° | 179.9° |
| NAN | CAO | CAD | H12 | 60.2° | 59.9° |
| NAN | CAO | CAD | H13 | 179.8° | 60.1° |
| CAO | NAN | CAJ | H15 | 56.3° | 56.8° |
| CAO | NAN | CAJ | H16 | 176.4° | 176.7° |
| NAN | CAO | CAH | H17 | 175.0° | 180.0° |
| NAN | CAO | CAH | H18 | 65.7° | 59.7° |
| CAO | NAN | CAM | H23 | 60.0° | 56.7° |
| CAH | CAO | NAN | CAM | 57.4° | 63.5° |
| CAO | CAH | CAE | H17 | 120.4° | 119.8° |
| CAO | CAH | CAE | H18 | 120.3° | 119.9° |
| CAO | CAH | CAE | CAF | 53.0° | 56.9° |
| CAH | CAO | CAI | H9 | 167.8° | 179.8° |
| CAH | CAO | CAI | H10 | 48.5° | 59.7° |
| CAH | CAO | CAD | H11 | 61.8° | 59.9° |
| CAH | CAO | CAD | H12 | 178.1° | 60.1° |
| CAH | CAO | CAD | H13 | 58.2° | 179.9° |
| CAO | CAH | H17 | H18 | 118.9° | 120.2° |
| CAO | CAH | CAE | H19 | 67.1° | 63.0° |
| CAO | CAH | CAE | H20 | 173.1° | 176.8° |
| CAH | CAO | NAN | H14 | 176.7° | 176.6° |
| CAD | CAO | NAN | CAM | 63.3° | 56.4° |
| CAD | CAO | CAH | CAE | 65.6° | 59.7° |
| CAD | CAO | CAI | H9 | 49.2° | 60.0° |
| CAD | CAO | CAI | H10 | 70.1° | 60.1° |
| CAO | CAD | H11 | H12 | 120.0° | 119.9° |
| CAO | CAD | H11 | H13 | 120.0° | 120.0° |
| CAO | CAD | H12 | H13 | 120.0° | 120.0° |
| CAD | CAO | CAH | H17 | 54.8° | 60.1° |
| CAD | CAO | CAH | H18 | 174.1° | 179.7° |
| CAD | CAO | NAN | H14 | 56.0° | 63.6° |
| NAN | CAM | CAC | CAF | 122.3° | 120.1° |
| NAN | CAM | CAC | H23 | 118.9° | 119.9° |
| NAN | CAM | CAF | H23 | 119.5° | 119.9° |
| NAN | CAM | CAF | CAE | 57.7° | 60.0° |
| CAM | NAN | CAJ | H15 | 66.6° | 63.7° |
| CAM | NAN | CAJ | H16 | 53.5° | 56.2° |
| NAN | CAM | CAF | H21 | 62.5° | 179.9° |
| NAN | CAM | CAF | H22 | 177.9° | 60.1° |
| NAN | CAM | CAC | H24 | 180.0° | 60.0° |
| NAN | CAM | CAC | H25 | 60.0° | 180.0° |
| NAN | CAM | CAC | H26 | 60.0° | 60.0° |
| CAH | CAE | CAF | CAM | 54.3° | 56.9° |
| CAH | CAE | CAF | H19 | 120.1° | 119.9° |
| CAH | CAE | CAF | H20 | 120.1° | 119.9° |
| CAE | CAH | H17 | H18 | 118.9° | 120.2° |
| CAH | CAE | H19 | H20 | 119.7° | 120.2° |
| CAH | CAE | CAF | H21 | 66.0° | 176.8° |
| CAH | CAE | CAF | H22 | 174.5° | 63.2° |
| CAC | CAM | CAF | H23 | 118.8° | 120.0° |
| CAC | CAM | CAF | CAE | 179.4° | 180.0° |
| CAC | CAM | CAF | H21 | 59.2° | 60.1° |
| CAC | CAM | CAF | H22 | 60.4° | 60.0° |
| CAM | CAC | H24 | H25 | 120.0° | 120.0° |
| CAM | CAC | H24 | H26 | 120.0° | 120.0° |
| CAM | CAC | H25 | H26 | 120.0° | 120.0° |
| CAC | CAM | NAN | H14 | 59.3° | 56.7° |
| CAM | CAF | CAE | H21 | 120.2° | 119.9° |
| CAM | CAF | CAE | H22 | 120.2° | 120.1° |
| CAM | CAF | CAE | H19 | 65.8° | 63.0° |
| CAM | CAF | CAE | H20 | 174.4° | 176.8° |
| CAM | CAF | H21 | H22 | 119.4° | 120.1° |
| CAF | CAM | CAC | H24 | 57.7° | 179.9° |
| CAF | CAM | CAC | H25 | 62.4° | 59.9° |
| CAF | CAM | CAC | H26 | 177.7° | 60.0° |
| CAF | CAM | NAN | H14 | 178.4° | 176.7° |
| CAF | CAE | CAH | H17 | 173.4° | 176.8° |
| CAF | CAE | CAH | H18 | 67.3° | 63.0° |
| CAF | CAE | H19 | H20 | 119.7° | 120.2° |
| CAE | CAF | H21 | H22 | 119.4° | 120.0° |
| CAE | CAF | CAM | H23 | 61.8° | 60.0° |
| H3 | CAB | H4 | H5 | 120.0° | 120.0° |
| H6 | CAL | CAG | H7 | 55.9° | 56.9° |
| H6 | CAL | CAG | H8 | 175.4° | 177.1° |
| H6 | CAL | CAJ | H15 | 178.6° | 180.0° |
| H6 | CAL | CAJ | H16 | 61.3° | 60.1° |
| H7 | CAG | CAI | H9 | 51.3° | 56.9° |
| H7 | CAG | CAI | H10 | 67.9° | 63.3° |
| H8 | CAG | CAI | H9 | 170.8° | 177.1° |
| H8 | CAG | CAI | H10 | 51.5° | 57.0° |
| H11 | CAD | H12 | H13 | 120.0° | 120.0° |
| H15 | CAJ | NAN | H14 | 175.6° | 176.6° |
| H16 | CAJ | NAN | H14 | 64.3° | 63.5° |
| H17 | CAH | CAE | H19 | 53.3° | 56.9° |
| H17 | CAH | CAE | H20 | 66.5° | 63.4° |
| H18 | CAH | CAE | H19 | 172.6° | 177.1° |
| H18 | CAH | CAE | H20 | 52.8° | 56.9° |
| H19 | CAE | CAF | H21 | 174.0° | 56.9° |
| H19 | CAE | CAF | H22 | 54.4° | 176.9° |
| H20 | CAE | CAF | H21 | 54.1° | 63.3° |
| H20 | CAE | CAF | H22 | 65.4° | 56.7° |
| H21 | CAF | CAM | H23 | 178.0° | 59.9° |
| H22 | CAF | CAM | H23 | 58.4° | 180.0° |
| H23 | CAM | CAC | H24 | 61.1° | 60.0° |
| H23 | CAM | CAC | H25 | 178.9° | 60.1° |
| H23 | CAM | CAC | H26 | 58.9° | 180.0° |
| H23 | CAM | NAN | H14 | 59.3° | 63.3° |
| H24 | CAC | H25 | H26 | 120.0° | 120.0° |
