JWT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAW | CAX | doub | 1.38Å | 1.40Å | Aromatic |
| CAW | CAV | sing | 1.38Å | 1.40Å | Aromatic |
| CAX | CBA | sing | 1.38Å | 1.40Å | Aromatic |
| CBA | CAZ | doub | 1.38Å | 1.39Å | Aromatic |
| CAZ | CAY | sing | 1.38Å | 1.40Å | Aromatic |
| CAY | CAV | doub | 1.38Å | 1.40Å | Aromatic |
| CAV | CAU | sing | 1.51Å | 1.40Å | |
| CAU | NAN | sing | 1.46Å | 1.50Å | |
| NAN | CAO | sing | 1.38Å | 1.37Å | |
| NAN | CAM | sing | 1.35Å | 1.35Å | |
| CAO | NAP | sing | 1.38Å | 1.34Å | |
| CAO | CAF | doub | 1.37Å | 1.41Å | |
| CAM | OAL | doub | 1.22Å | 1.23Å | |
| CAM | NAD | sing | 1.35Å | 1.42Å | |
| NAD | CAE | sing | 1.35Å | 1.41Å | |
| CAE | OAA | doub | 1.22Å | 1.24Å | |
| CAE | CAF | sing | 1.41Å | 1.41Å | |
| CAF | NAG | sing | 1.41Å | 1.35Å | |
| NAG | CAB | sing | 1.46Å | 1.48Å | |
| NAG | SAH | sing | 1.66Å | 1.67Å | |
| SAH | OAQ | doub | 1.42Å | 1.53Å | |
| SAH | OAC | doub | 1.42Å | 1.51Å | |
| SAH | CAI | sing | 1.76Å | 1.76Å | |
| CAI | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAI | CAR | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | CAT | sing | 1.39Å | 1.40Å | Aromatic |
| CAT | CAS | doub | 1.38Å | 1.38Å | Aromatic |
| CAT | FAM | sing | 1.35Å | 1.28Å | |
| CAS | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAW | HAW | sing | 1.08Å | 1.08Å | |
| CAX | HAX | sing | 1.08Å | 1.08Å | |
| CBA | HBA | sing | 1.08Å | 1.08Å | |
| CAZ | HAZ | sing | 1.08Å | 1.08Å | |
| CAY | HAY | sing | 1.08Å | 1.08Å | |
| CAU | HAU1 | sing | 1.09Å | 1.10Å | |
| CAU | HAU2 | sing | 1.09Å | 1.10Å | |
| NAP | HAP1 | sing | 0.97Å | 1.00Å | |
| NAP | HAP2 | sing | 0.97Å | 1.00Å | |
| NAD | HAD | sing | 0.97Å | 1.00Å | |
| CAB | HAB1 | sing | 1.09Å | 1.10Å | |
| CAB | HAB2 | sing | 1.09Å | 1.10Å | |
| CAB | HAB3 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAS | HAS | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAX | CAW | CAV | 120.5° | 120.0° |
| CAW | CAX | CBA | 119.6° | 120.0° |
| CAX | CAW | HAW | 119.8° | 120.0° |
| CAW | CAX | HAX | 120.2° | 120.0° |
| CAW | CAV | CAY | 119.2° | 120.0° |
| CAW | CAV | CAU | 119.5° | 120.0° |
| CAV | CAW | HAW | 119.7° | 120.0° |
| CAX | CBA | CAZ | 120.1° | 120.0° |
| CBA | CAX | HAX | 120.2° | 120.0° |
| CAX | CBA | HBA | 120.0° | 120.0° |
| CBA | CAZ | CAY | 120.0° | 120.0° |
| CAZ | CBA | HBA | 119.9° | 120.0° |
| CBA | CAZ | HAZ | 120.0° | 119.9° |
| CAZ | CAY | CAV | 120.5° | 120.0° |
| CAY | CAZ | HAZ | 120.0° | 120.1° |
| CAZ | CAY | HAY | 119.8° | 120.0° |
| CAY | CAV | CAU | 121.3° | 120.0° |
| CAV | CAY | HAY | 119.7° | 120.0° |
| CAV | CAU | NAN | 114.2° | 109.5° |
| CAV | CAU | HAU1 | 108.3° | 109.5° |
| CAV | CAU | HAU2 | 108.3° | 109.4° |
| CAU | NAN | CAO | 120.5° | 119.8° |
| CAU | NAN | CAM | 118.8° | 119.8° |
| NAN | CAU | HAU1 | 108.3° | 109.5° |
| NAN | CAU | HAU2 | 108.3° | 109.5° |
| CAO | NAN | CAM | 120.7° | 120.4° |
| NAN | CAO | NAP | 122.1° | 120.4° |
| NAN | CAO | CAF | 120.6° | 119.4° |
| NAN | CAM | OAL | 119.4° | 119.5° |
| NAN | CAM | NAD | 120.9° | 121.1° |
| NAP | CAO | CAF | 117.3° | 120.3° |
| CAO | NAP | HAP1 | 109.5° | 119.9° |
| CAO | NAP | HAP2 | 109.5° | 120.1° |
| CAO | CAF | CAE | 120.3° | 119.0° |
| CAO | CAF | NAG | 121.0° | 120.5° |
| OAL | CAM | NAD | 119.7° | 119.5° |
| CAM | NAD | CAE | 119.7° | 120.6° |
| CAM | NAD | HAD | 120.1° | 119.7° |
| NAD | CAE | OAA | 119.9° | 120.2° |
| NAD | CAE | CAF | 117.8° | 119.6° |
| CAE | NAD | HAD | 120.1° | 119.7° |
| OAA | CAE | CAF | 122.3° | 120.2° |
| CAE | CAF | NAG | 118.6° | 120.5° |
| CAF | NAG | CAB | 116.2° | 120.0° |
| CAF | NAG | SAH | 123.4° | 120.0° |
| CAB | NAG | SAH | 120.0° | 120.0° |
| NAG | CAB | HAB1 | 109.5° | 109.4° |
| NAG | CAB | HAB2 | 109.4° | 109.5° |
| NAG | CAB | HAB3 | 109.5° | 109.5° |
| NAG | SAH | OAQ | 107.8° | 106.4° |
| NAG | SAH | OAC | 115.0° | 106.4° |
| NAG | SAH | CAI | 106.9° | 107.2° |
| OAQ | SAH | OAC | 110.2° | 123.2° |
| OAQ | SAH | CAI | 108.5° | 106.4° |
| OAC | SAH | CAI | 108.3° | 106.4° |
| SAH | CAI | CAJ | 119.6° | 120.0° |
| SAH | CAI | CAR | 119.7° | 120.0° |
| CAJ | CAI | CAR | 120.7° | 120.1° |
| CAI | CAJ | CAK | 118.8° | 120.0° |
| CAI | CAJ | HAJ | 120.6° | 120.0° |
| CAI | CAR | CAS | 120.4° | 120.0° |
| CAI | CAR | HAR | 119.8° | 120.0° |
| CAJ | CAK | CAT | 120.7° | 120.0° |
| CAK | CAJ | HAJ | 120.6° | 120.0° |
| CAJ | CAK | HAK | 119.6° | 120.0° |
| CAK | CAT | CAS | 120.4° | 119.9° |
| CAK | CAT | FAM | 120.3° | 120.0° |
| CAT | CAK | HAK | 119.7° | 120.0° |
| CAS | CAT | FAM | 119.3° | 120.0° |
| CAT | CAS | CAR | 118.9° | 120.0° |
| CAT | CAS | HAS | 120.5° | 120.0° |
| CAS | CAR | HAR | 119.8° | 120.0° |
| CAR | CAS | HAS | 120.5° | 120.0° |
| HAU1 | CAU | HAU2 | 109.5° | 109.5° |
| HAP1 | NAP | HAP2 | 109.4° | 120.0° |
| HAB1 | CAB | HAB2 | 109.5° | 109.4° |
| HAB1 | CAB | HAB3 | 109.5° | 109.5° |
| HAB2 | CAB | HAB3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAX | CAW | CAV | HAW | 180.0° | 180.0° |
| CAW | CAX | CBA | HAX | 180.0° | 179.9° |
| CAW | CAX | CBA | CAZ | 0.2° | 0.1° |
| CAX | CAW | CAV | CAY | 0.8° | 0.0° |
| CAX | CAW | CAV | CAU | 179.4° | 179.8° |
| CAW | CAX | CBA | HBA | 179.8° | 180.0° |
| CAV | CAW | CAX | CBA | 0.7° | 0.0° |
| CAW | CAV | CAY | CAZ | 0.4° | 0.0° |
| CAW | CAV | CAY | CAU | 178.6° | 179.8° |
| CAW | CAV | CAU | NAN | 115.5° | 90.2° |
| CAV | CAW | CAX | HAX | 179.3° | 179.9° |
| CAW | CAV | CAY | HAY | 179.6° | 179.8° |
| CAW | CAV | CAU | HAU1 | 5.2° | 29.8° |
| CAW | CAV | CAU | HAU2 | 123.8° | 149.8° |
| CAX | CBA | CAZ | HBA | 180.0° | 179.9° |
| CAX | CBA | CAZ | CAY | 0.2° | 0.1° |
| CBA | CAX | CAW | HAW | 179.3° | 180.0° |
| CAX | CBA | CAZ | HAZ | 179.8° | 180.0° |
| CBA | CAZ | CAY | HAZ | 180.0° | 179.9° |
| CBA | CAZ | CAY | CAV | 0.1° | 0.0° |
| CAZ | CBA | CAX | HAX | 179.8° | 180.0° |
| CBA | CAZ | CAY | HAY | 179.9° | 179.7° |
| CAZ | CAY | CAV | HAY | 180.0° | 179.7° |
| CAZ | CAY | CAV | CAU | 179.0° | 179.8° |
| CAY | CAZ | CBA | HBA | 179.8° | 180.0° |
| CAY | CAV | CAU | NAN | 65.9° | 90.0° |
| CAY | CAV | CAW | HAW | 179.2° | 180.0° |
| CAV | CAY | CAZ | HAZ | 179.9° | 179.9° |
| CAY | CAV | CAU | HAU1 | 173.4° | 150.0° |
| CAY | CAV | CAU | HAU2 | 54.7° | 30.0° |
| CAV | CAU | NAN | HAU1 | 120.7° | 120.0° |
| CAV | CAU | NAN | HAU2 | 120.7° | 120.0° |
| CAV | CAU | NAN | CAO | 93.5° | 90.0° |
| CAV | CAU | NAN | CAM | 87.9° | 90.3° |
| CAU | CAV | CAW | HAW | 0.6° | 0.3° |
| CAU | CAV | CAY | HAY | 1.0° | 0.0° |
| CAV | CAU | HAU1 | HAU2 | 117.8° | 120.0° |
| CAU | NAN | CAO | CAM | 178.5° | 179.7° |
| CAU | NAN | CAO | NAP | 0.6° | 0.0° |
| CAU | NAN | CAO | CAF | 179.3° | 180.0° |
| CAU | NAN | CAM | OAL | 0.4° | 0.0° |
| CAU | NAN | CAM | NAD | 179.6° | 180.0° |
| NAN | CAU | HAU1 | HAU2 | 117.8° | 120.0° |
| NAN | CAO | NAP | CAF | 178.7° | 180.0° |
| CAO | NAN | CAM | OAL | 178.9° | 179.7° |
| CAO | NAN | CAM | NAD | 1.1° | 0.3° |
| NAN | CAO | CAF | CAE | 2.5° | 0.0° |
| NAN | CAO | CAF | NAG | 178.1° | 180.0° |
| CAO | NAN | CAU | HAU1 | 27.2° | 30.0° |
| CAO | NAN | CAU | HAU2 | 145.8° | 150.0° |
| NAN | CAO | NAP | HAP1 | 180.0° | 3.2° |
| NAN | CAO | NAP | HAP2 | 60.0° | 176.8° |
| CAM | NAN | CAO | NAP | 179.1° | 179.7° |
| CAM | NAN | CAO | CAF | 2.2° | 0.3° |
| NAN | CAM | OAL | NAD | 180.0° | 180.0° |
| NAN | CAM | NAD | CAE | 0.3° | 0.1° |
| CAM | NAN | CAU | HAU1 | 151.4° | 149.7° |
| CAM | NAN | CAU | HAU2 | 32.7° | 29.7° |
| NAN | CAM | NAD | HAD | 179.7° | 180.0° |
| NAP | CAO | CAF | CAE | 178.8° | 180.0° |
| NAP | CAO | CAF | NAG | 3.2° | 0.0° |
| CAO | NAP | HAP1 | HAP2 | 120.0° | 180.0° |
| CAO | CAF | CAE | NAD | 1.6° | 0.2° |
| CAO | CAF | CAE | OAA | 179.4° | 180.0° |
| CAO | CAF | CAE | NAG | 175.7° | 180.0° |
| CAO | CAF | NAG | CAB | 99.5° | 49.0° |
| CAO | CAF | NAG | SAH | 88.0° | 131.0° |
| CAF | CAO | NAP | HAP1 | 1.3° | 176.8° |
| CAF | CAO | NAP | HAP2 | 118.7° | 3.2° |
| OAL | CAM | NAD | CAE | 179.7° | 180.0° |
| OAL | CAM | NAD | HAD | 0.3° | 0.0° |
| CAM | NAD | CAE | HAD | 180.0° | 180.0° |
| CAM | NAD | CAE | OAA | 179.6° | 180.0° |
| CAM | NAD | CAE | CAF | 0.5° | 0.2° |
| NAD | CAE | OAA | CAF | 179.0° | 179.8° |
| NAD | CAE | CAF | NAG | 177.3° | 179.8° |
| OAA | CAE | CAF | NAG | 3.7° | 0.0° |
| OAA | CAE | NAD | HAD | 0.4° | 0.0° |
| CAE | CAF | NAG | CAB | 76.2° | 131.0° |
| CAE | CAF | NAG | SAH | 96.4° | 49.0° |
| CAF | CAE | NAD | HAD | 179.5° | 179.8° |
| CAF | NAG | CAB | SAH | 172.8° | 180.0° |
| CAF | NAG | SAH | OAQ | 178.9° | 3.8° |
| CAF | NAG | SAH | OAC | 55.6° | 136.8° |
| CAF | NAG | SAH | CAI | 64.6° | 109.7° |
| CAF | NAG | CAB | HAB1 | 180.0° | 124.4° |
| CAF | NAG | CAB | HAB2 | 60.0° | 115.6° |
| CAF | NAG | CAB | HAB3 | 60.0° | 4.4° |
| CAB | NAG | SAH | OAQ | 8.8° | 176.2° |
| CAB | NAG | SAH | OAC | 132.1° | 43.3° |
| CAB | NAG | SAH | CAI | 107.7° | 70.3° |
| NAG | CAB | HAB1 | HAB2 | 120.0° | 120.0° |
| NAG | CAB | HAB1 | HAB3 | 120.0° | 120.0° |
| NAG | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
| NAG | SAH | OAQ | OAC | 126.2° | 122.9° |
| NAG | SAH | OAQ | CAI | 115.5° | 114.1° |
| NAG | SAH | OAC | CAI | 119.5° | 114.1° |
| NAG | SAH | CAI | CAJ | 85.9° | 90.0° |
| NAG | SAH | CAI | CAR | 93.1° | 90.3° |
| SAH | NAG | CAB | HAB1 | 7.2° | 55.6° |
| SAH | NAG | CAB | HAB2 | 127.2° | 64.3° |
| SAH | NAG | CAB | HAB3 | 112.8° | 175.6° |
| OAQ | SAH | OAC | CAI | 118.5° | 122.9° |
| OAQ | SAH | CAI | CAJ | 30.1° | 156.5° |
| OAQ | SAH | CAI | CAR | 150.9° | 23.3° |
| OAC | SAH | CAI | CAJ | 149.7° | 23.6° |
| OAC | SAH | CAI | CAR | 31.3° | 156.2° |
| SAH | CAI | CAJ | CAR | 179.0° | 179.7° |
| SAH | CAI | CAJ | CAK | 179.7° | 180.0° |
| SAH | CAI | CAR | CAS | 179.8° | 179.8° |
| SAH | CAI | CAJ | HAJ | 0.3° | 0.0° |
| SAH | CAI | CAR | HAR | 0.2° | 0.0° |
| CAI | CAJ | CAK | HAJ | 180.0° | 180.0° |
| CAI | CAJ | CAK | CAT | 0.3° | 0.0° |
| CAJ | CAI | CAR | CAS | 1.2° | 0.5° |
| CAJ | CAI | CAR | HAR | 178.8° | 179.8° |
| CAI | CAJ | CAK | HAK | 179.7° | 179.9° |
| CAR | CAI | CAJ | CAK | 0.7° | 0.2° |
| CAI | CAR | CAS | CAT | 0.8° | 0.5° |
| CAI | CAR | CAS | HAR | 180.0° | 179.8° |
| CAR | CAI | CAJ | HAJ | 179.3° | 179.7° |
| CAI | CAR | CAS | HAS | 179.2° | 179.7° |
| CAJ | CAK | CAT | HAK | 180.0° | 180.0° |
| CAJ | CAK | CAT | CAS | 0.7° | 0.0° |
| CAJ | CAK | CAT | FAM | 179.0° | 180.0° |
| CAK | CAT | CAS | FAM | 179.7° | 180.0° |
| CAK | CAT | CAS | CAR | 0.2° | 0.2° |
| CAT | CAK | CAJ | HAJ | 179.7° | 180.0° |
| CAK | CAT | CAS | HAS | 179.9° | 180.0° |
| CAT | CAS | CAR | HAS | 180.0° | 179.8° |
| CAT | CAS | CAR | HAR | 179.2° | 179.8° |
| CAS | CAT | CAK | HAK | 179.3° | 179.9° |
| FAM | CAT | CAS | CAR | 179.6° | 179.8° |
| FAM | CAT | CAK | HAK | 1.0° | 0.0° |
| FAM | CAT | CAS | HAS | 0.4° | 0.0° |
| HAW | CAW | CAX | HAX | 0.7° | 0.1° |
| HAX | CAX | CBA | HBA | 0.2° | 0.2° |
| HBA | CBA | CAZ | HAZ | 0.2° | 0.1° |
| HAZ | CAZ | CAY | HAY | 0.1° | 0.2° |
| HAB1 | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
| HAJ | CAJ | CAK | HAK | 0.3° | 0.0° |
| HAR | CAR | CAS | HAS | 0.8° | 0.0° |
