JF1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAC | CAM | sing | 1.53Å | 1.53Å | |
| CAF | CAM | sing | 1.53Å | 1.52Å | |
| CAF | CAE | sing | 1.53Å | 1.53Å | |
| CAM | CAO | sing | 1.53Å | 1.51Å | |
| CAE | CAH | sing | 1.53Å | 1.52Å | |
| CAO | CAD | sing | 1.53Å | 1.52Å | |
| CAO | CAJ | sing | 1.53Å | 1.51Å | |
| CAO | NAN | sing | 1.47Å | 1.47Å | |
| CAH | NAN | sing | 1.47Å | 1.47Å | |
| CAJ | CAL | sing | 1.53Å | 1.52Å | |
| NAN | CAI | sing | 1.47Å | 1.47Å | |
| CAB | CAK | doub | 1.31Å | 1.33Å | |
| CAL | CAK | sing | 1.51Å | 1.50Å | |
| CAL | CAG | sing | 1.53Å | 1.54Å | |
| CAI | CAG | sing | 1.53Å | 1.52Å | |
| CAK | CAA | sing | 1.51Å | 1.50Å | |
| CAJ | H1 | sing | 1.09Å | 1.10Å | |
| CAJ | H2 | sing | 1.09Å | 1.10Å | |
| CAD | H3 | sing | 1.09Å | 1.10Å | |
| CAD | H4 | sing | 1.09Å | 1.10Å | |
| CAD | H5 | sing | 1.09Å | 1.10Å | |
| CAM | H6 | sing | 1.09Å | 1.10Å | |
| CAC | H7 | sing | 1.09Å | 1.10Å | |
| CAC | H8 | sing | 1.09Å | 1.10Å | |
| CAC | H9 | sing | 1.09Å | 1.10Å | |
| CAF | H10 | sing | 1.09Å | 1.10Å | |
| CAF | H11 | sing | 1.09Å | 1.10Å | |
| CAE | H12 | sing | 1.09Å | 1.10Å | |
| CAE | H13 | sing | 1.09Å | 1.10Å | |
| CAH | H14 | sing | 1.09Å | 1.10Å | |
| CAH | H15 | sing | 1.09Å | 1.10Å | |
| NAN | H16 | sing | 1.01Å | 1.00Å | |
| CAI | H17 | sing | 1.09Å | 1.10Å | |
| CAI | H18 | sing | 1.09Å | 1.10Å | |
| CAG | H19 | sing | 1.09Å | 1.10Å | |
| CAG | H20 | sing | 1.09Å | 1.10Å | |
| CAL | H21 | sing | 1.09Å | 1.10Å | |
| CAB | H22 | sing | 1.08Å | 1.08Å | |
| CAB | H23 | sing | 1.08Å | 1.08Å | |
| CAA | H24 | sing | 1.09Å | 1.10Å | |
| CAA | H25 | sing | 1.09Å | 1.10Å | |
| CAA | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | CAM | CAF | 114.0° | 109.4° |
| CAC | CAM | CAO | 107.3° | 109.4° |
| CAC | CAM | H6 | 107.2° | 109.4° |
| CAM | CAC | H7 | 109.5° | 109.5° |
| CAM | CAC | H8 | 109.5° | 109.5° |
| CAM | CAC | H9 | 109.5° | 109.5° |
| CAM | CAF | CAE | 112.3° | 108.7° |
| CAF | CAM | CAO | 113.4° | 109.8° |
| CAF | CAM | H6 | 107.2° | 109.4° |
| CAM | CAF | H10 | 108.7° | 109.6° |
| CAM | CAF | H11 | 108.8° | 109.6° |
| CAF | CAE | CAH | 111.5° | 108.8° |
| CAE | CAF | H10 | 108.8° | 109.6° |
| CAE | CAF | H11 | 108.8° | 109.6° |
| CAF | CAE | H12 | 109.0° | 109.5° |
| CAF | CAE | H13 | 109.0° | 109.5° |
| CAM | CAO | CAD | 110.9° | 109.5° |
| CAM | CAO | CAJ | 102.6° | 108.1° |
| CAM | CAO | NAN | 114.9° | 110.2° |
| CAO | CAM | H6 | 107.4° | 109.4° |
| CAE | CAH | NAN | 107.8° | 110.2° |
| CAH | CAE | H12 | 109.0° | 109.6° |
| CAH | CAE | H13 | 109.0° | 109.6° |
| CAE | CAH | H14 | 109.9° | 109.3° |
| CAE | CAH | H15 | 109.9° | 109.4° |
| CAD | CAO | CAJ | 112.9° | 109.5° |
| CAD | CAO | NAN | 109.2° | 109.5° |
| CAO | CAD | H3 | 109.5° | 109.5° |
| CAO | CAD | H4 | 109.5° | 109.5° |
| CAO | CAD | H5 | 109.5° | 109.5° |
| CAJ | CAO | NAN | 106.2° | 110.0° |
| CAO | CAJ | CAL | 115.2° | 109.8° |
| CAO | CAJ | H1 | 108.0° | 109.4° |
| CAO | CAJ | H2 | 108.0° | 109.4° |
| CAO | NAN | CAH | 111.7° | 110.2° |
| CAO | NAN | CAI | 107.1° | 110.2° |
| CAO | NAN | H16 | 109.0° | 109.5° |
| CAH | NAN | CAI | 111.0° | 108.1° |
| NAN | CAH | H14 | 109.9° | 109.3° |
| NAN | CAH | H15 | 109.9° | 109.3° |
| CAH | NAN | H16 | 109.0° | 109.4° |
| CAJ | CAL | CAK | 104.2° | 109.6° |
| CAJ | CAL | CAG | 114.6° | 108.8° |
| CAL | CAJ | H1 | 108.0° | 109.4° |
| CAL | CAJ | H2 | 108.0° | 109.4° |
| CAJ | CAL | H21 | 110.2° | 109.6° |
| NAN | CAI | CAG | 108.7° | 110.2° |
| CAI | NAN | H16 | 109.0° | 109.5° |
| NAN | CAI | H17 | 109.6° | 109.4° |
| NAN | CAI | H18 | 109.6° | 109.4° |
| CAB | CAK | CAL | 120.5° | 120.0° |
| CAB | CAK | CAA | 119.7° | 120.0° |
| CAK | CAB | H22 | 120.0° | 120.0° |
| CAK | CAB | H23 | 120.0° | 120.0° |
| CAK | CAL | CAG | 107.4° | 109.7° |
| CAL | CAK | CAA | 119.8° | 120.0° |
| CAK | CAL | H21 | 110.4° | 109.6° |
| CAL | CAG | CAI | 112.2° | 108.9° |
| CAL | CAG | H19 | 108.8° | 109.5° |
| CAL | CAG | H20 | 108.8° | 109.7° |
| CAG | CAL | H21 | 109.9° | 109.6° |
| CAG | CAI | H17 | 109.7° | 109.4° |
| CAG | CAI | H18 | 109.6° | 109.3° |
| CAI | CAG | H19 | 108.8° | 109.5° |
| CAI | CAG | H20 | 108.8° | 109.6° |
| CAK | CAA | H24 | 109.5° | 109.5° |
| CAK | CAA | H25 | 109.4° | 109.5° |
| CAK | CAA | H26 | 109.4° | 109.5° |
| H1 | CAJ | H2 | 109.4° | 109.4° |
| H3 | CAD | H4 | 109.4° | 109.5° |
| H3 | CAD | H5 | 109.5° | 109.4° |
| H4 | CAD | H5 | 109.4° | 109.4° |
| H7 | CAC | H8 | 109.5° | 109.5° |
| H7 | CAC | H9 | 109.5° | 109.5° |
| H8 | CAC | H9 | 109.4° | 109.5° |
| H10 | CAF | H11 | 109.5° | 109.7° |
| H12 | CAE | H13 | 109.5° | 109.8° |
| H14 | CAH | H15 | 109.4° | 109.3° |
| H17 | CAI | H18 | 109.5° | 109.2° |
| H19 | CAG | H20 | 109.5° | 109.6° |
| H22 | CAB | H23 | 120.0° | 120.0° |
| H24 | CAA | H25 | 109.5° | 109.5° |
| H24 | CAA | H26 | 109.5° | 109.5° |
| H25 | CAA | H26 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | CAM | CAF | CAO | 123.2° | 120.1° |
| CAC | CAM | CAF | H6 | 118.4° | 119.9° |
| CAC | CAM | CAF | CAE | 164.1° | 177.5° |
| CAC | CAM | CAO | H6 | 114.9° | 119.9° |
| CAC | CAM | CAO | CAD | 44.8° | 58.4° |
| CAC | CAM | CAO | CAJ | 76.0° | 60.8° |
| CAC | CAM | CAO | NAN | 169.3° | 178.9° |
| CAM | CAC | H7 | H8 | 120.0° | 120.0° |
| CAM | CAC | H7 | H9 | 120.0° | 120.0° |
| CAM | CAC | H8 | H9 | 120.0° | 120.0° |
| CAC | CAM | CAF | H10 | 75.4° | 62.8° |
| CAC | CAM | CAF | H11 | 43.7° | 57.7° |
| CAM | CAF | CAE | H10 | 120.4° | 119.8° |
| CAM | CAF | CAE | H11 | 120.4° | 119.8° |
| CAF | CAM | CAO | H6 | 118.3° | 120.0° |
| CAM | CAF | CAE | CAH | 51.5° | 58.0° |
| CAF | CAM | CAO | CAD | 81.9° | 61.7° |
| CAF | CAM | CAO | CAJ | 157.3° | 179.1° |
| CAF | CAM | CAO | NAN | 42.5° | 58.8° |
| CAF | CAM | CAC | H7 | 180.0° | 60.3° |
| CAF | CAM | CAC | H8 | 60.0° | 59.7° |
| CAF | CAM | CAC | H9 | 60.0° | 179.7° |
| CAM | CAF | H10 | H11 | 118.7° | 120.4° |
| CAM | CAF | CAE | H12 | 68.8° | 61.8° |
| CAM | CAF | CAE | H13 | 171.8° | 177.7° |
| CAE | CAF | CAM | CAO | 41.0° | 57.4° |
| CAF | CAE | CAH | H12 | 120.3° | 119.8° |
| CAF | CAE | CAH | H13 | 120.3° | 119.7° |
| CAF | CAE | CAH | NAN | 61.7° | 60.5° |
| CAE | CAF | CAM | H6 | 77.4° | 62.7° |
| CAE | CAF | H10 | H11 | 118.7° | 120.4° |
| CAF | CAE | H12 | H13 | 119.1° | 120.3° |
| CAF | CAE | CAH | H14 | 178.5° | 179.3° |
| CAF | CAE | CAH | H15 | 58.1° | 59.7° |
| CAM | CAO | CAD | CAJ | 114.5° | 118.4° |
| CAM | CAO | CAD | NAN | 127.6° | 120.9° |
| CAM | CAO | CAJ | NAN | 121.0° | 120.3° |
| CAM | CAO | NAN | CAH | 54.2° | 60.7° |
| CAM | CAO | CAJ | CAL | 174.1° | 179.2° |
| CAM | CAO | NAN | CAI | 175.9° | 180.0° |
| CAM | CAO | CAJ | H1 | 65.0° | 60.7° |
| CAM | CAO | CAJ | H2 | 53.3° | 59.1° |
| CAM | CAO | CAD | H3 | 180.0° | 178.3° |
| CAM | CAO | CAD | H4 | 60.0° | 61.6° |
| CAM | CAO | CAD | H5 | 60.0° | 58.4° |
| CAO | CAM | CAC | H7 | 53.5° | 60.0° |
| CAO | CAM | CAC | H8 | 66.5° | 180.0° |
| CAO | CAM | CAC | H9 | 173.6° | 60.0° |
| CAO | CAM | CAF | H10 | 161.4° | 177.1° |
| CAO | CAM | CAF | H11 | 79.5° | 62.4° |
| CAM | CAO | NAN | H16 | 66.3° | 59.6° |
| CAE | CAH | NAN | CAO | 62.4° | 62.0° |
| CAE | CAH | NAN | H14 | 119.8° | 120.2° |
| CAE | CAH | NAN | H15 | 119.7° | 120.2° |
| CAE | CAH | NAN | CAI | 178.2° | 177.5° |
| CAH | CAE | CAF | H10 | 171.9° | 177.7° |
| CAH | CAE | CAF | H11 | 69.0° | 61.8° |
| CAH | CAE | H12 | H13 | 119.1° | 120.4° |
| CAE | CAH | H14 | H15 | 120.7° | 119.7° |
| CAE | CAH | NAN | H16 | 58.1° | 58.4° |
| CAD | CAO | CAJ | NAN | 119.6° | 120.4° |
| CAD | CAO | NAN | CAH | 71.1° | 59.7° |
| CAD | CAO | CAJ | CAL | 66.5° | 61.6° |
| CAD | CAO | NAN | CAI | 50.6° | 59.5° |
| CAD | CAO | CAJ | H1 | 54.4° | 58.5° |
| CAD | CAO | CAJ | H2 | 172.7° | 178.3° |
| CAO | CAD | H3 | H4 | 120.0° | 120.1° |
| CAO | CAD | H3 | H5 | 120.0° | 120.0° |
| CAO | CAD | H4 | H5 | 120.0° | 120.0° |
| CAD | CAO | CAM | H6 | 159.8° | 178.3° |
| CAD | CAO | NAN | H16 | 168.4° | 179.9° |
| CAJ | CAO | NAN | CAH | 166.9° | 179.8° |
| CAO | CAJ | CAL | H1 | 120.9° | 120.1° |
| CAO | CAJ | CAL | H2 | 120.9° | 120.1° |
| CAJ | CAO | NAN | CAI | 71.4° | 60.9° |
| CAO | CAJ | CAL | CAK | 152.9° | 177.2° |
| CAO | CAJ | CAL | CAG | 35.8° | 57.3° |
| CAO | CAJ | H1 | H2 | 117.4° | 119.9° |
| CAJ | CAO | CAD | H3 | 65.5° | 59.9° |
| CAJ | CAO | CAD | H4 | 174.5° | 180.0° |
| CAJ | CAO | CAD | H5 | 54.5° | 60.0° |
| CAJ | CAO | CAM | H6 | 39.0° | 59.1° |
| CAJ | CAO | NAN | H16 | 46.4° | 59.5° |
| CAO | CAJ | CAL | H21 | 88.7° | 62.5° |
| CAO | NAN | CAH | CAI | 119.4° | 120.5° |
| CAO | NAN | CAH | H16 | 120.5° | 120.4° |
| NAN | CAO | CAJ | CAL | 53.2° | 58.8° |
| CAO | NAN | CAI | H16 | 117.8° | 120.4° |
| CAO | NAN | CAI | CAG | 72.6° | 62.1° |
| NAN | CAO | CAJ | H1 | 174.0° | 178.9° |
| NAN | CAO | CAJ | H2 | 67.7° | 61.3° |
| NAN | CAO | CAD | H3 | 52.4° | 60.8° |
| NAN | CAO | CAD | H4 | 67.6° | 59.3° |
| NAN | CAO | CAD | H5 | 172.4° | 179.3° |
| NAN | CAO | CAM | H6 | 75.8° | 61.2° |
| CAO | NAN | CAH | H14 | 177.8° | 177.8° |
| CAO | NAN | CAH | H15 | 57.3° | 58.2° |
| CAO | NAN | CAI | H17 | 167.5° | 177.6° |
| CAO | NAN | CAI | H18 | 47.3° | 58.1° |
| CAH | NAN | CAI | H16 | 120.1° | 119.1° |
| CAH | NAN | CAI | CAG | 165.2° | 177.4° |
| NAN | CAH | CAE | H12 | 58.6° | 59.3° |
| NAN | CAH | CAE | H13 | 178.0° | 179.8° |
| NAN | CAH | H14 | H15 | 120.8° | 119.5° |
| CAH | NAN | CAI | H17 | 45.3° | 57.1° |
| CAH | NAN | CAI | H18 | 74.9° | 62.4° |
| CAJ | CAL | CAK | CAB | 39.5° | 120.1° |
| CAJ | CAL | CAK | CAG | 122.0° | 119.3° |
| CAJ | CAL | CAK | H21 | 118.2° | 120.3° |
| CAJ | CAL | CAG | H21 | 124.7° | 119.8° |
| CAJ | CAL | CAG | CAI | 34.2° | 57.8° |
| CAJ | CAL | CAK | CAA | 140.0° | 60.0° |
| CAL | CAJ | H1 | H2 | 117.4° | 119.9° |
| CAJ | CAL | CAG | H19 | 154.6° | 61.9° |
| CAJ | CAL | CAG | H20 | 86.2° | 177.7° |
| NAN | CAI | CAG | CAL | 52.0° | 60.4° |
| NAN | CAI | CAG | H17 | 119.9° | 120.3° |
| NAN | CAI | CAG | H18 | 119.9° | 120.2° |
| CAI | NAN | CAH | H14 | 58.4° | 57.3° |
| CAI | NAN | CAH | H15 | 62.1° | 62.3° |
| NAN | CAI | H17 | H18 | 120.3° | 119.6° |
| NAN | CAI | CAG | H19 | 172.4° | 59.3° |
| NAN | CAI | CAG | H20 | 68.4° | 179.5° |
| CAB | CAK | CAL | CAA | 179.5° | 179.9° |
| CAB | CAK | CAL | CAG | 161.5° | 120.6° |
| CAB | CAK | CAL | H21 | 78.7° | 0.3° |
| CAK | CAB | H22 | H23 | 180.0° | 179.9° |
| CAB | CAK | CAA | H24 | 180.0° | 120.0° |
| CAB | CAK | CAA | H25 | 60.0° | 0.1° |
| CAB | CAK | CAA | H26 | 60.0° | 120.0° |
| CAK | CAL | CAG | H21 | 120.1° | 120.3° |
| CAK | CAL | CAG | CAI | 149.4° | 177.6° |
| CAK | CAL | CAJ | H1 | 86.2° | 62.8° |
| CAK | CAL | CAJ | H2 | 32.1° | 57.1° |
| CAK | CAL | CAG | H19 | 90.1° | 57.9° |
| CAK | CAL | CAG | H20 | 29.1° | 62.4° |
| CAL | CAK | CAB | H22 | 179.5° | 180.0° |
| CAL | CAK | CAB | H23 | 0.5° | 0.1° |
| CAL | CAK | CAA | H24 | 0.5° | 60.0° |
| CAL | CAK | CAA | H25 | 120.5° | 180.0° |
| CAL | CAK | CAA | H26 | 119.6° | 60.0° |
| CAL | CAG | CAI | H19 | 120.4° | 119.7° |
| CAL | CAG | CAI | H20 | 120.4° | 120.0° |
| CAG | CAL | CAK | CAA | 18.0° | 59.3° |
| CAG | CAL | CAJ | H1 | 156.7° | 177.3° |
| CAG | CAL | CAJ | H2 | 85.0° | 62.8° |
| CAL | CAG | CAI | H17 | 171.9° | 179.3° |
| CAL | CAG | CAI | H18 | 67.8° | 59.8° |
| CAL | CAG | H19 | H20 | 118.8° | 120.4° |
| CAG | CAI | NAN | H16 | 45.2° | 58.3° |
| CAG | CAI | H17 | H18 | 120.3° | 119.6° |
| CAI | CAG | H19 | H20 | 118.7° | 120.3° |
| CAI | CAG | CAL | H21 | 90.4° | 62.0° |
| CAA | CAK | CAL | H21 | 101.8° | 179.6° |
| CAA | CAK | CAB | H22 | 0.0° | 0.1° |
| CAA | CAK | CAB | H23 | 180.0° | 180.0° |
| CAK | CAA | H24 | H25 | 120.0° | 120.0° |
| CAK | CAA | H24 | H26 | 120.0° | 120.0° |
| CAK | CAA | H25 | H26 | 119.9° | 120.0° |
| H1 | CAJ | CAL | H21 | 32.2° | 57.6° |
| H2 | CAJ | CAL | H21 | 150.5° | 177.4° |
| H3 | CAD | H4 | H5 | 120.0° | 120.0° |
| H6 | CAM | CAC | H7 | 61.5° | 179.9° |
| H6 | CAM | CAC | H8 | 178.4° | 60.1° |
| H6 | CAM | CAC | H9 | 58.5° | 59.9° |
| H6 | CAM | CAF | H10 | 43.0° | 57.1° |
| H6 | CAM | CAF | H11 | 162.1° | 177.6° |
| H7 | CAC | H8 | H9 | 120.0° | 120.0° |
| H10 | CAF | CAE | H12 | 51.6° | 57.9° |
| H10 | CAF | CAE | H13 | 67.8° | 62.5° |
| H11 | CAF | CAE | H12 | 170.7° | 178.4° |
| H11 | CAF | CAE | H13 | 51.3° | 57.9° |
| H12 | CAE | CAH | H14 | 61.2° | 60.9° |
| H12 | CAE | CAH | H15 | 178.4° | 179.4° |
| H13 | CAE | CAH | H14 | 58.3° | 59.6° |
| H13 | CAE | CAH | H15 | 62.2° | 60.1° |
| H14 | CAH | NAN | H16 | 61.7° | 61.8° |
| H15 | CAH | NAN | H16 | 177.8° | 178.6° |
| H16 | NAN | CAI | H17 | 74.7° | 62.0° |
| H16 | NAN | CAI | H18 | 165.1° | 178.5° |
| H17 | CAI | CAG | H19 | 67.7° | 61.0° |
| H17 | CAI | CAG | H20 | 51.5° | 59.2° |
| H18 | CAI | CAG | H19 | 52.6° | 179.5° |
| H18 | CAI | CAG | H20 | 171.8° | 60.2° |
| H19 | CAG | CAL | H21 | 30.0° | 178.2° |
| H20 | CAG | CAL | H21 | 149.2° | 57.9° |
| H24 | CAA | H25 | H26 | 120.1° | 120.0° |
