NGJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAL | CAI | sing | 1.51Å | 1.57Å | |
| CAL | CAN | sing | 1.53Å | 1.53Å | |
| CAI | CAH | doub | 1.34Å | 1.43Å | |
| CAI | NAJ | sing | 1.37Å | 1.42Å | |
| CAH | CAE | sing | 1.46Å | 1.40Å | |
| CAE | CAD | sing | 1.40Å | 1.43Å | Aromatic |
| CAE | CAF | doub | 1.41Å | 1.42Å | Aromatic |
| CAD | NAM | sing | 1.40Å | 1.35Å | |
| CAD | CAC | doub | 1.38Å | 1.41Å | Aromatic |
| CAC | CAB | sing | 1.39Å | 1.40Å | Aromatic |
| CAB | CAA | doub | 1.38Å | 1.39Å | Aromatic |
| CAA | CAF | sing | 1.40Å | 1.38Å | Aromatic |
| CAF | CAG | sing | 1.47Å | 1.41Å | |
| CAG | OAK | doub | 1.22Å | 1.23Å | |
| CAG | NAJ | sing | 1.35Å | 1.40Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å | |
| CAN | HAN1 | sing | 1.09Å | 1.10Å | |
| CAN | HAN2 | sing | 1.09Å | 1.10Å | |
| CAN | HAN3 | sing | 1.09Å | 1.10Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| NAJ | HAJ | sing | 0.97Å | 1.00Å | |
| NAM | HAM1 | sing | 0.97Å | 1.00Å | |
| NAM | HAM2 | sing | 0.97Å | 1.00Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAA | HAA | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAI | CAL | CAN | 118.2° | 109.5° |
| CAL | CAI | CAH | 119.7° | 118.8° |
| CAL | CAI | NAJ | 120.3° | 118.8° |
| CAI | CAL | HAL1 | 107.3° | 109.5° |
| CAI | CAL | HAL2 | 107.2° | 109.5° |
| CAN | CAL | HAL1 | 107.2° | 109.4° |
| CAN | CAL | HAL2 | 107.3° | 109.4° |
| CAL | CAN | HAN1 | 109.5° | 109.5° |
| CAL | CAN | HAN2 | 109.5° | 109.5° |
| CAL | CAN | HAN3 | 109.5° | 109.4° |
| CAH | CAI | NAJ | 120.0° | 122.3° |
| CAI | CAH | CAE | 120.5° | 119.5° |
| CAI | CAH | HAH | 119.7° | 120.2° |
| CAI | NAJ | CAG | 119.9° | 122.3° |
| CAI | NAJ | HAJ | 120.0° | 118.8° |
| CAH | CAE | CAD | 121.2° | 122.0° |
| CAH | CAE | CAF | 118.4° | 118.4° |
| CAE | CAH | HAH | 119.8° | 120.3° |
| CAD | CAE | CAF | 120.4° | 119.6° |
| CAE | CAD | NAM | 123.7° | 120.3° |
| CAE | CAD | CAC | 119.9° | 119.4° |
| CAE | CAF | CAA | 118.1° | 119.8° |
| CAE | CAF | CAG | 122.0° | 118.3° |
| NAM | CAD | CAC | 116.4° | 120.3° |
| CAD | NAM | HAM1 | 109.5° | 120.0° |
| CAD | NAM | HAM2 | 109.5° | 120.0° |
| CAD | CAC | CAB | 118.3° | 120.7° |
| CAD | CAC | HAC | 120.8° | 119.7° |
| CAC | CAB | CAA | 121.3° | 120.8° |
| CAB | CAC | HAC | 120.9° | 119.6° |
| CAC | CAB | HAB | 119.3° | 119.6° |
| CAB | CAA | CAF | 121.9° | 119.7° |
| CAA | CAB | HAB | 119.4° | 119.6° |
| CAB | CAA | HAA | 119.0° | 120.1° |
| CAA | CAF | CAG | 119.9° | 121.9° |
| CAF | CAA | HAA | 119.1° | 120.2° |
| CAF | CAG | OAK | 123.6° | 120.4° |
| CAF | CAG | NAJ | 119.1° | 119.2° |
| OAK | CAG | NAJ | 117.3° | 120.4° |
| CAG | NAJ | HAJ | 120.0° | 118.9° |
| HAL1 | CAL | HAL2 | 109.4° | 109.4° |
| HAN1 | CAN | HAN2 | 109.5° | 109.5° |
| HAN1 | CAN | HAN3 | 109.5° | 109.5° |
| HAN2 | CAN | HAN3 | 109.5° | 109.5° |
| HAM1 | NAM | HAM2 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAI | CAL | CAN | HAL1 | 121.3° | 120.1° |
| CAI | CAL | CAN | HAL2 | 121.2° | 120.0° |
| CAL | CAI | CAH | NAJ | 179.0° | 179.7° |
| CAL | CAI | CAH | CAE | 179.7° | 180.0° |
| CAL | CAI | NAJ | CAG | 179.1° | 179.7° |
| CAI | CAL | HAL1 | HAL2 | 116.0° | 120.0° |
| CAI | CAL | CAN | HAN1 | 180.0° | 60.0° |
| CAI | CAL | CAN | HAN2 | 60.0° | 180.0° |
| CAI | CAL | CAN | HAN3 | 60.0° | 59.9° |
| CAL | CAI | CAH | HAH | 0.3° | 0.1° |
| CAL | CAI | NAJ | HAJ | 0.9° | 0.0° |
| CAN | CAL | CAI | CAH | 179.0° | 95.0° |
| CAN | CAL | CAI | NAJ | 0.0° | 85.3° |
| CAN | CAL | HAL1 | HAL2 | 116.1° | 119.9° |
| CAL | CAN | HAN1 | HAN2 | 120.0° | 120.0° |
| CAL | CAN | HAN1 | HAN3 | 120.0° | 119.9° |
| CAL | CAN | HAN2 | HAN3 | 120.0° | 120.0° |
| CAI | CAH | CAE | HAH | 180.0° | 179.9° |
| CAI | CAH | CAE | CAD | 179.5° | 180.0° |
| CAI | CAH | CAE | CAF | 0.3° | 0.1° |
| CAH | CAI | NAJ | CAG | 1.9° | 0.6° |
| CAH | CAI | CAL | HAL1 | 59.7° | 145.0° |
| CAH | CAI | CAL | HAL2 | 57.8° | 25.0° |
| CAH | CAI | NAJ | HAJ | 178.1° | 179.7° |
| NAJ | CAI | CAH | CAE | 0.7° | 0.3° |
| CAI | NAJ | CAG | CAF | 2.7° | 0.6° |
| CAI | NAJ | CAG | OAK | 178.8° | 179.7° |
| CAI | NAJ | CAG | HAJ | 180.0° | 179.7° |
| NAJ | CAI | CAL | HAL1 | 121.3° | 34.7° |
| NAJ | CAI | CAL | HAL2 | 121.2° | 154.8° |
| NAJ | CAI | CAH | HAH | 179.3° | 179.8° |
| CAH | CAE | CAD | CAF | 179.2° | 179.9° |
| CAH | CAE | CAD | NAM | 1.9° | 0.1° |
| CAH | CAE | CAD | CAC | 179.1° | 180.0° |
| CAH | CAE | CAF | CAA | 179.2° | 180.0° |
| CAH | CAE | CAF | CAG | 1.1° | 0.1° |
| CAE | CAD | NAM | CAC | 179.0° | 180.0° |
| CAE | CAD | CAC | CAB | 1.1° | 0.0° |
| CAD | CAE | CAF | CAA | 0.0° | 0.1° |
| CAD | CAE | CAF | CAG | 179.7° | 180.0° |
| CAD | CAE | CAH | HAH | 0.5° | 0.1° |
| CAE | CAD | NAM | HAM1 | 180.0° | 0.1° |
| CAE | CAD | NAM | HAM2 | 60.0° | 180.0° |
| CAE | CAD | CAC | HAC | 178.9° | 180.0° |
| CAF | CAE | CAD | NAM | 178.8° | 180.0° |
| CAF | CAE | CAD | CAC | 0.1° | 0.1° |
| CAE | CAF | CAA | CAB | 1.4° | 0.1° |
| CAE | CAF | CAA | CAG | 179.7° | 179.9° |
| CAE | CAF | CAG | OAK | 179.2° | 180.0° |
| CAE | CAF | CAG | NAJ | 2.3° | 0.3° |
| CAF | CAE | CAH | HAH | 179.7° | 180.0° |
| CAE | CAF | CAA | HAA | 178.6° | 179.9° |
| NAM | CAD | CAC | CAB | 179.9° | 180.0° |
| CAD | NAM | HAM1 | HAM2 | 120.0° | 179.9° |
| NAM | CAD | CAC | HAC | 0.1° | 0.0° |
| CAD | CAC | CAB | HAC | 180.0° | 180.0° |
| CAD | CAC | CAB | CAA | 2.5° | 0.0° |
| CAC | CAD | NAM | HAM1 | 1.0° | 179.9° |
| CAC | CAD | NAM | HAM2 | 121.0° | 0.1° |
| CAD | CAC | CAB | HAB | 177.5° | 179.9° |
| CAC | CAB | CAA | HAB | 180.0° | 179.9° |
| CAC | CAB | CAA | CAF | 2.7° | 0.0° |
| CAC | CAB | CAA | HAA | 177.3° | 180.0° |
| CAB | CAA | CAF | HAA | 180.0° | 180.0° |
| CAB | CAA | CAF | CAG | 179.0° | 180.0° |
| CAA | CAB | CAC | HAC | 177.5° | 180.0° |
| CAA | CAF | CAG | OAK | 0.4° | 0.0° |
| CAA | CAF | CAG | NAJ | 178.0° | 179.8° |
| CAF | CAA | CAB | HAB | 177.3° | 180.0° |
| CAF | CAG | OAK | NAJ | 178.5° | 179.7° |
| CAF | CAG | NAJ | HAJ | 177.4° | 179.7° |
| CAG | CAF | CAA | HAA | 1.0° | 0.0° |
| OAK | CAG | NAJ | HAJ | 1.2° | 0.0° |
| HAL1 | CAL | CAN | HAN1 | 58.7° | 60.0° |
| HAL1 | CAL | CAN | HAN2 | 178.7° | 60.0° |
| HAL1 | CAL | CAN | HAN3 | 61.3° | NaN° |
| HAL2 | CAL | CAN | HAN1 | 58.8° | 180.0° |
| HAL2 | CAL | CAN | HAN2 | 61.2° | 60.0° |
| HAL2 | CAL | CAN | HAN3 | 178.8° | 60.1° |
| HAN1 | CAN | HAN2 | HAN3 | 120.0° | 120.0° |
| HAC | CAC | CAB | HAB | 2.5° | 0.1° |
| HAB | CAB | CAA | HAA | 2.7° | 0.0° |
