DJU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAJ | CAL | doub | 1.38Å | 1.42Å | Aromatic |
| CAJ | CAF | sing | 1.39Å | 1.38Å | Aromatic |
| CAL | CAK | sing | 1.39Å | 1.43Å | Aromatic |
| NAB | CAF | sing | 1.38Å | 1.43Å | Aromatic |
| NAB | CAH | sing | 1.37Å | 1.36Å | Aromatic |
| CAF | CAE | doub | 1.41Å | 1.40Å | Aromatic |
| CAK | OAA | sing | 1.36Å | 1.41Å | |
| CAK | CAI | doub | 1.38Å | 1.42Å | Aromatic |
| CAH | CAD | doub | 1.34Å | 1.35Å | Aromatic |
| OAA | CAO | sing | 1.43Å | 1.44Å | |
| CAE | CAI | sing | 1.40Å | 1.35Å | Aromatic |
| CAE | CAD | sing | 1.47Å | 1.46Å | Aromatic |
| CAD | CAG | sing | 1.51Å | 1.48Å | |
| CAG | NAC | sing | 1.47Å | 1.38Å | |
| CAO | CAP | sing | 1.51Å | 1.54Å | |
| CAQ | CAP | doub | 1.38Å | 1.40Å | Aromatic |
| CAQ | CAS | sing | 1.38Å | 1.42Å | Aromatic |
| CAP | CAR | sing | 1.38Å | 1.40Å | Aromatic |
| NAC | CAN | sing | 1.47Å | 1.43Å | |
| NAC | CAM | sing | 1.47Å | 1.44Å | |
| CAS | CAU | doub | 1.38Å | 1.41Å | Aromatic |
| CAR | CAT | doub | 1.38Å | 1.43Å | Aromatic |
| CAU | CAT | sing | 1.38Å | 1.40Å | Aromatic |
| CAG | HAH | sing | 1.09Å | 1.10Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAH | HAI | sing | 1.08Å | 1.08Å | |
| CAI | HAJ | sing | 1.08Å | 1.08Å | |
| CAJ | HAK | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | HAN | sing | 1.09Å | 1.10Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAO | sing | 1.09Å | 1.10Å | |
| CAN | HAQ | sing | 1.09Å | 1.10Å | |
| CAN | HAP | sing | 1.09Å | 1.10Å | |
| CAN | HAR | sing | 1.09Å | 1.10Å | |
| CAO | HAS | sing | 1.09Å | 1.10Å | |
| CAO | HAT | sing | 1.09Å | 1.10Å | |
| CAQ | HAU | sing | 1.08Å | 1.08Å | |
| CAR | HAV | sing | 1.08Å | 1.08Å | |
| CAS | HAW | sing | 1.08Å | 1.08Å | |
| CAT | HAX | sing | 1.08Å | 1.08Å | |
| CAU | HAY | sing | 1.08Å | 1.08Å | |
| NAB | HAB | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAL | CAJ | CAF | 123.1° | 120.0° |
| CAJ | CAL | CAK | 115.7° | 120.6° |
| CAL | CAJ | HAK | 118.4° | 120.0° |
| CAJ | CAL | HAL | 122.2° | 119.7° |
| CAJ | CAF | NAB | 134.6° | 133.3° |
| CAJ | CAF | CAE | 119.8° | 119.5° |
| CAF | CAJ | HAK | 118.4° | 120.0° |
| CAL | CAK | OAA | 119.6° | 119.8° |
| CAL | CAK | CAI | 119.3° | 120.3° |
| CAK | CAL | HAL | 122.2° | 119.8° |
| CAF | NAB | CAH | 114.5° | 109.8° |
| NAB | CAF | CAE | 105.5° | 107.2° |
| CAF | NAB | HAB | 122.8° | 125.2° |
| NAB | CAH | CAD | 101.9° | 110.0° |
| NAB | CAH | HAI | 129.1° | 125.0° |
| CAH | NAB | HAB | 122.7° | 125.0° |
| CAF | CAE | CAI | 119.5° | 120.0° |
| CAF | CAE | CAD | 102.9° | 106.1° |
| OAA | CAK | CAI | 121.0° | 119.8° |
| CAK | OAA | CAO | 108.7° | 117.0° |
| CAK | CAI | CAE | 122.5° | 119.6° |
| CAK | CAI | HAJ | 118.8° | 120.3° |
| CAH | CAD | CAE | 115.1° | 107.0° |
| CAH | CAD | CAG | 118.6° | 126.5° |
| CAD | CAH | HAI | 129.0° | 125.0° |
| OAA | CAO | CAP | 104.4° | 109.5° |
| OAA | CAO | HAS | 110.7° | 109.4° |
| OAA | CAO | HAT | 110.8° | 109.5° |
| CAI | CAE | CAD | 137.5° | 133.9° |
| CAE | CAI | HAJ | 118.8° | 120.2° |
| CAE | CAD | CAG | 125.9° | 126.5° |
| CAD | CAG | NAC | 120.5° | 109.5° |
| CAD | CAG | HAH | 106.7° | 109.5° |
| CAD | CAG | HAG | 106.6° | 109.5° |
| CAG | NAC | CAN | 107.0° | 111.0° |
| CAG | NAC | CAM | 103.6° | 111.0° |
| NAC | CAG | HAH | 106.6° | 109.5° |
| NAC | CAG | HAG | 106.7° | 109.4° |
| CAO | CAP | CAQ | 121.2° | 120.0° |
| CAO | CAP | CAR | 121.0° | 120.0° |
| CAP | CAO | HAS | 110.7° | 109.5° |
| CAP | CAO | HAT | 110.7° | 109.5° |
| CAP | CAQ | CAS | 120.0° | 120.0° |
| CAQ | CAP | CAR | 117.8° | 120.0° |
| CAP | CAQ | HAU | 120.0° | 120.0° |
| CAQ | CAS | CAU | 123.0° | 120.0° |
| CAS | CAQ | HAU | 120.0° | 120.0° |
| CAQ | CAS | HAW | 118.5° | 120.0° |
| CAP | CAR | CAT | 122.0° | 120.0° |
| CAP | CAR | HAV | 119.0° | 120.0° |
| CAN | NAC | CAM | 106.8° | 111.0° |
| NAC | CAN | HAQ | 109.5° | 109.5° |
| NAC | CAN | HAP | 109.5° | 109.5° |
| NAC | CAN | HAR | 109.5° | 109.4° |
| NAC | CAM | HAN | 109.5° | 109.5° |
| NAC | CAM | HAM | 109.5° | 109.5° |
| NAC | CAM | HAO | 109.5° | 109.5° |
| CAS | CAU | CAT | 116.7° | 120.0° |
| CAU | CAS | HAW | 118.5° | 119.9° |
| CAS | CAU | HAY | 121.6° | 120.0° |
| CAR | CAT | CAU | 120.5° | 120.0° |
| CAT | CAR | HAV | 119.0° | 120.0° |
| CAR | CAT | HAX | 119.8° | 120.0° |
| CAU | CAT | HAX | 119.7° | 120.0° |
| CAT | CAU | HAY | 121.6° | 120.0° |
| HAH | CAG | HAG | 109.4° | 109.5° |
| HAN | CAM | HAM | 109.5° | 109.5° |
| HAN | CAM | HAO | 109.4° | 109.5° |
| HAM | CAM | HAO | 109.5° | 109.4° |
| HAQ | CAN | HAP | 109.4° | 109.5° |
| HAQ | CAN | HAR | 109.4° | 109.5° |
| HAP | CAN | HAR | 109.5° | 109.5° |
| HAS | CAO | HAT | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAL | CAJ | CAF | HAK | 180.0° | 179.9° |
| CAJ | CAL | CAK | HAL | 180.0° | 180.0° |
| CAL | CAJ | CAF | NAB | 177.2° | 180.0° |
| CAL | CAJ | CAF | CAE | 0.6° | 0.1° |
| CAJ | CAL | CAK | OAA | 174.6° | 179.9° |
| CAJ | CAL | CAK | CAI | 3.3° | 0.1° |
| CAF | CAJ | CAL | CAK | 2.7° | 0.1° |
| CAJ | CAF | NAB | CAE | 178.0° | 179.9° |
| CAJ | CAF | NAB | CAH | 179.4° | 179.7° |
| CAJ | CAF | CAE | CAI | 1.0° | 0.0° |
| CAJ | CAF | CAE | CAD | 179.8° | 180.0° |
| CAF | CAJ | CAL | HAL | 177.3° | 179.9° |
| CAJ | CAF | NAB | HAB | 0.6° | 0.0° |
| CAL | CAK | OAA | CAI | 177.9° | 180.0° |
| CAL | CAK | OAA | CAO | 94.0° | 0.0° |
| CAL | CAK | CAI | CAE | 1.9° | 0.0° |
| CAL | CAK | CAI | HAJ | 178.1° | 180.0° |
| CAK | CAL | CAJ | HAK | 177.3° | 179.9° |
| CAF | NAB | CAH | HAB | 180.0° | 179.7° |
| CAF | NAB | CAH | CAD | 0.1° | 0.5° |
| NAB | CAF | CAE | CAI | 179.4° | 180.0° |
| NAB | CAF | CAE | CAD | 1.9° | 0.0° |
| CAF | NAB | CAH | HAI | 179.8° | 179.8° |
| NAB | CAF | CAJ | HAK | 2.8° | 0.2° |
| CAH | NAB | CAF | CAE | 1.4° | 0.3° |
| NAB | CAH | CAD | HAI | 180.0° | 179.8° |
| NAB | CAH | CAD | CAE | 1.2° | 0.5° |
| NAB | CAH | CAD | CAG | 174.7° | 179.8° |
| CAF | CAE | CAI | CAK | 0.4° | 0.0° |
| CAF | CAE | CAD | CAH | 2.0° | 0.3° |
| CAF | CAE | CAI | CAD | 178.2° | 180.0° |
| CAF | CAE | CAD | CAG | 175.0° | 180.0° |
| CAF | CAE | CAI | HAJ | 179.6° | 180.0° |
| CAE | CAF | CAJ | HAK | 179.4° | 179.9° |
| CAE | CAF | NAB | HAB | 178.6° | 179.9° |
| OAA | CAK | CAI | CAE | 176.0° | 180.0° |
| CAK | OAA | CAO | CAP | 134.0° | 180.0° |
| OAA | CAK | CAI | HAJ | 4.0° | 0.0° |
| OAA | CAK | CAL | HAL | 5.4° | 0.0° |
| CAK | OAA | CAO | HAS | 106.9° | 60.0° |
| CAK | OAA | CAO | HAT | 14.8° | 60.0° |
| CAI | CAK | OAA | CAO | 83.9° | 180.0° |
| CAK | CAI | CAE | HAJ | 180.0° | 180.0° |
| CAK | CAI | CAE | CAD | 178.5° | 180.0° |
| CAI | CAK | CAL | HAL | 176.7° | 180.0° |
| CAH | CAD | CAE | CAI | 179.6° | 179.7° |
| CAH | CAD | CAE | CAG | 173.0° | 179.7° |
| CAH | CAD | CAG | NAC | 113.9° | 99.7° |
| CAH | CAD | CAG | HAH | 7.7° | 20.3° |
| CAH | CAD | CAG | HAG | 124.5° | 140.4° |
| CAD | CAH | NAB | HAB | 179.9° | 179.8° |
| OAA | CAO | CAP | HAS | 119.2° | 120.0° |
| OAA | CAO | CAP | HAT | 119.2° | 120.0° |
| OAA | CAO | CAP | CAQ | 86.7° | 89.7° |
| OAA | CAO | CAP | CAR | 91.7° | 90.0° |
| OAA | CAO | HAS | HAT | 122.4° | 120.0° |
| CAI | CAE | CAD | CAG | 6.6° | 0.0° |
| CAE | CAD | CAG | NAC | 73.4° | 80.0° |
| CAE | CAD | CAG | HAH | 165.1° | 160.0° |
| CAE | CAD | CAG | HAG | 48.2° | 40.0° |
| CAE | CAD | CAH | HAI | 178.8° | 179.8° |
| CAD | CAE | CAI | HAJ | 1.5° | 0.0° |
| CAD | CAG | NAC | HAH | 121.6° | 120.0° |
| CAD | CAG | NAC | HAG | 121.6° | 120.0° |
| CAD | CAG | NAC | CAN | 98.0° | 170.0° |
| CAD | CAG | NAC | CAM | 149.4° | 66.1° |
| CAD | CAG | HAH | HAG | 115.0° | 120.0° |
| CAG | CAD | CAH | HAI | 5.3° | 0.1° |
| CAG | NAC | CAN | CAM | 110.4° | 124.0° |
| NAC | CAG | HAH | HAG | 115.0° | 119.9° |
| CAG | NAC | CAM | HAN | 180.0° | 60.0° |
| CAG | NAC | CAM | HAM | 60.0° | 179.9° |
| CAG | NAC | CAM | HAO | 60.0° | 60.0° |
| CAG | NAC | CAN | HAQ | 180.0° | 60.0° |
| CAG | NAC | CAN | HAP | 60.0° | 180.0° |
| CAG | NAC | CAN | HAR | 60.0° | 60.0° |
| CAO | CAP | CAQ | CAR | 178.5° | 179.7° |
| CAO | CAP | CAQ | CAS | 179.2° | 180.0° |
| CAO | CAP | CAR | CAT | 179.9° | 180.0° |
| CAP | CAO | HAS | HAT | 122.3° | 120.0° |
| CAO | CAP | CAQ | HAU | 0.8° | 0.0° |
| CAO | CAP | CAR | HAV | 0.1° | 0.0° |
| CAP | CAQ | CAS | HAU | 180.0° | 180.0° |
| CAP | CAQ | CAS | CAU | 0.0° | 0.1° |
| CAQ | CAP | CAR | CAT | 1.7° | 0.3° |
| CAQ | CAP | CAO | HAS | 32.5° | 30.3° |
| CAQ | CAP | CAO | HAT | 154.1° | 150.3° |
| CAQ | CAP | CAR | HAV | 178.3° | 179.7° |
| CAP | CAQ | CAS | HAW | 179.9° | 179.9° |
| CAS | CAQ | CAP | CAR | 0.7° | 0.3° |
| CAQ | CAS | CAU | HAW | 180.0° | 180.0° |
| CAQ | CAS | CAU | CAT | 0.3° | 0.2° |
| CAQ | CAS | CAU | HAY | 179.6° | 180.0° |
| CAP | CAR | CAT | HAV | 180.0° | 180.0° |
| CAP | CAR | CAT | CAU | 2.0° | 0.0° |
| CAR | CAP | CAO | HAS | 149.1° | 150.0° |
| CAR | CAP | CAO | HAT | 27.5° | 30.0° |
| CAR | CAP | CAQ | HAU | 179.3° | 179.7° |
| CAP | CAR | CAT | HAX | 178.0° | 180.0° |
| CAN | NAC | CAG | HAH | 140.5° | 70.0° |
| CAN | NAC | CAG | HAG | 23.6° | 50.0° |
| CAN | NAC | CAM | HAN | 67.2° | 64.0° |
| CAN | NAC | CAM | HAM | 172.7° | 56.1° |
| CAN | NAC | CAM | HAO | 52.8° | 176.0° |
| NAC | CAN | HAQ | HAP | 120.0° | 120.0° |
| NAC | CAN | HAQ | HAR | 120.0° | 119.9° |
| NAC | CAN | HAP | HAR | 120.0° | 120.0° |
| CAM | NAC | CAG | HAH | 27.8° | 54.0° |
| CAM | NAC | CAG | HAG | 89.1° | 174.0° |
| NAC | CAM | HAN | HAM | 120.0° | 120.0° |
| NAC | CAM | HAN | HAO | 120.0° | 120.0° |
| NAC | CAM | HAM | HAO | 120.0° | 120.0° |
| CAM | NAC | CAN | HAQ | 69.6° | 176.1° |
| CAM | NAC | CAN | HAP | 50.4° | 56.0° |
| CAM | NAC | CAN | HAR | 170.4° | 64.0° |
| CAS | CAU | CAT | CAR | 1.3° | 0.2° |
| CAS | CAU | CAT | HAY | 180.0° | 179.8° |
| CAU | CAS | CAQ | HAU | 180.0° | 180.0° |
| CAS | CAU | CAT | HAX | 178.7° | 179.8° |
| CAR | CAT | CAU | HAX | 180.0° | 180.0° |
| CAR | CAT | CAU | HAY | 178.7° | 180.0° |
| CAU | CAT | CAR | HAV | 178.0° | 180.0° |
| CAT | CAU | CAS | HAW | 179.6° | 179.8° |
| HAI | CAH | NAB | HAB | 0.1° | 0.1° |
| HAK | CAJ | CAL | HAL | 2.7° | 0.1° |
| HAN | CAM | HAM | HAO | 120.0° | 120.0° |
| HAQ | CAN | HAP | HAR | 120.0° | 120.0° |
| HAU | CAQ | CAS | HAW | 0.1° | 0.0° |
| HAV | CAR | CAT | HAX | 2.0° | 0.0° |
| HAW | CAS | CAU | HAY | 0.4° | 0.0° |
| HAX | CAT | CAU | HAY | 1.3° | 0.0° |
