JUT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAE | SAF | sing | 1.76Å | 1.74Å | Aromatic |
| CAE | CAD | doub | 1.34Å | 1.33Å | Aromatic |
| FAM | CAL | sing | 1.35Å | 1.27Å | |
| CAN | CAL | doub | 1.38Å | 1.43Å | Aromatic |
| CAN | CAG | sing | 1.39Å | 1.41Å | Aromatic |
| SAF | CAB | sing | 1.76Å | 1.64Å | Aromatic |
| CAL | CAJ | sing | 1.39Å | 1.42Å | Aromatic |
| CAD | CAG | sing | 1.48Å | 1.32Å | |
| CAD | NAC | sing | 1.33Å | 1.40Å | Aromatic |
| CAG | CAH | doub | 1.39Å | 1.37Å | Aromatic |
| CAB | NAC | doub | 1.30Å | 1.34Å | Aromatic |
| CAB | NAA | sing | 1.39Å | 1.30Å | |
| CAJ | FAK | sing | 1.35Å | 1.29Å | |
| CAJ | CAI | doub | 1.38Å | 1.33Å | Aromatic |
| CAH | CAI | sing | 1.38Å | 1.36Å | Aromatic |
| CAN | H1 | sing | 1.08Å | 1.08Å | |
| CAI | H2 | sing | 1.08Å | 1.08Å | |
| CAH | H3 | sing | 1.08Å | 1.08Å | |
| NAA | H4 | sing | 0.97Å | 1.00Å | |
| NAA | H5 | sing | 0.97Å | 1.00Å | |
| CAE | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| SAF | CAE | CAD | 105.3° | 108.3° |
| CAE | SAF | CAB | 96.2° | 90.1° |
| SAF | CAE | H6 | 127.3° | 125.9° |
| CAE | CAD | CAG | 123.7° | 122.3° |
| CAE | CAD | NAC | 116.1° | 115.3° |
| CAD | CAE | H6 | 127.4° | 125.8° |
| FAM | CAL | CAN | 125.2° | 120.0° |
| FAM | CAL | CAJ | 113.5° | 119.9° |
| CAL | CAN | CAG | 115.0° | 119.9° |
| CAN | CAL | CAJ | 121.3° | 120.1° |
| CAL | CAN | H1 | 122.5° | 120.0° |
| CAN | CAG | CAD | 131.0° | 120.1° |
| CAN | CAG | CAH | 121.2° | 119.9° |
| CAG | CAN | H1 | 122.5° | 120.1° |
| SAF | CAB | NAC | 109.1° | 109.4° |
| SAF | CAB | NAA | 123.1° | 125.3° |
| CAL | CAJ | FAK | 128.0° | 119.9° |
| CAL | CAJ | CAI | 119.5° | 120.1° |
| CAG | CAD | NAC | 120.1° | 122.4° |
| CAD | CAG | CAH | 107.5° | 120.1° |
| CAD | NAC | CAB | 113.4° | 116.9° |
| CAG | CAH | CAI | 121.8° | 119.9° |
| CAG | CAH | H3 | 119.1° | 120.1° |
| NAC | CAB | NAA | 127.8° | 125.3° |
| CAB | NAA | H4 | 109.5° | 120.0° |
| CAB | NAA | H5 | 109.4° | 120.0° |
| FAK | CAJ | CAI | 112.6° | 119.9° |
| CAJ | CAI | CAH | 121.2° | 120.2° |
| CAJ | CAI | H2 | 119.4° | 119.9° |
| CAH | CAI | H2 | 119.4° | 119.9° |
| CAI | CAH | H3 | 119.1° | 120.0° |
| H4 | NAA | H5 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| SAF | CAE | CAD | H6 | 180.0° | 179.7° |
| SAF | CAE | CAD | CAG | 177.5° | 179.9° |
| SAF | CAE | CAD | NAC | 0.1° | 0.4° |
| CAE | SAF | CAB | NAC | 0.5° | 0.2° |
| CAE | SAF | CAB | NAA | 178.4° | 179.9° |
| CAE | CAD | CAG | CAN | 10.3° | 179.7° |
| CAD | CAE | SAF | CAB | 0.3° | 0.3° |
| CAE | CAD | CAG | NAC | 177.3° | 179.6° |
| CAE | CAD | CAG | CAH | 175.3° | 0.3° |
| CAE | CAD | NAC | CAB | 0.3° | 0.3° |
| FAM | CAL | CAN | CAJ | 179.4° | 180.0° |
| FAM | CAL | CAN | CAG | 177.7° | 180.0° |
| FAM | CAL | CAJ | FAK | 0.2° | 0.0° |
| FAM | CAL | CAJ | CAI | 178.8° | 180.0° |
| FAM | CAL | CAN | H1 | 2.3° | 0.2° |
| CAL | CAN | CAG | H1 | 180.0° | 179.8° |
| CAL | CAN | CAG | CAD | 176.3° | 180.0° |
| CAL | CAN | CAG | CAH | 2.6° | 0.0° |
| CAN | CAL | CAJ | FAK | 179.2° | 180.0° |
| CAN | CAL | CAJ | CAI | 0.7° | 0.0° |
| CAG | CAN | CAL | CAJ | 1.7° | 0.0° |
| CAN | CAG | CAD | CAH | 174.4° | 179.9° |
| CAN | CAG | CAD | NAC | 167.1° | 0.1° |
| CAN | CAG | CAH | CAI | 2.5° | 0.0° |
| CAN | CAG | CAH | H3 | 177.5° | 180.0° |
| SAF | CAB | NAC | CAD | 0.5° | 0.0° |
| SAF | CAB | NAC | NAA | 178.8° | 180.0° |
| SAF | CAB | NAA | H4 | 0.0° | 180.0° |
| SAF | CAB | NAA | H5 | 120.0° | 0.0° |
| CAB | SAF | CAE | H6 | 179.7° | 180.0° |
| CAL | CAJ | FAK | CAI | 178.6° | 180.0° |
| CAL | CAJ | CAI | CAH | 0.4° | 0.0° |
| CAJ | CAL | CAN | H1 | 178.3° | 179.8° |
| CAL | CAJ | CAI | H2 | 179.6° | 180.0° |
| CAG | CAD | NAC | CAB | 177.3° | 179.9° |
| CAD | CAG | CAH | CAI | 177.6° | 180.0° |
| CAD | CAG | CAN | H1 | 3.7° | 0.2° |
| CAD | CAG | CAH | H3 | 2.4° | 0.1° |
| CAG | CAD | CAE | H6 | 2.5° | 0.2° |
| NAC | CAD | CAG | CAH | 7.3° | 180.0° |
| CAD | NAC | CAB | NAA | 178.3° | 180.0° |
| NAC | CAD | CAE | H6 | 179.9° | 179.9° |
| CAG | CAH | CAI | CAJ | 1.3° | 0.0° |
| CAG | CAH | CAI | H3 | 180.0° | 180.0° |
| CAH | CAG | CAN | H1 | 177.4° | 179.7° |
| CAG | CAH | CAI | H2 | 178.7° | 180.0° |
| NAC | CAB | NAA | H4 | 178.7° | 0.1° |
| NAC | CAB | NAA | H5 | 58.7° | 180.0° |
| CAB | NAA | H4 | H5 | 120.0° | 179.9° |
| FAK | CAJ | CAI | CAH | 179.2° | 180.0° |
| FAK | CAJ | CAI | H2 | 0.9° | 0.0° |
| CAJ | CAI | CAH | H2 | 180.0° | 180.0° |
| CAJ | CAI | CAH | H3 | 178.7° | 180.0° |
| H2 | CAI | CAH | H3 | 1.3° | 0.0° |
