JW7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAL | CAJ | sing | 1.53Å | 1.50Å | |
| CAL | CAX | sing | 1.53Å | 1.51Å | |
| CAJ | CAI | sing | 1.53Å | 1.54Å | |
| CAI | CAK | sing | 1.53Å | 1.51Å | |
| CAK | CAM | sing | 1.53Å | 1.57Å | |
| CAM | CAX | sing | 1.53Å | 1.57Å | |
| CAX | NAQ | sing | 1.47Å | 1.46Å | |
| NAQ | CAT | sing | 1.38Å | 1.32Å | |
| CAT | CAH | doub | 1.38Å | 1.38Å | |
| CAT | CAV | sing | 1.47Å | 1.41Å | |
| CAH | CAW | sing | 1.40Å | 1.38Å | |
| CAW | OAA | doub | 1.22Å | 1.24Å | |
| CAW | NAY | sing | 1.34Å | 1.35Å | |
| NAY | CAS | sing | 1.40Å | 1.34Å | |
| NAY | NAP | sing | 1.40Å | 1.24Å | |
| CAS | CAE | sing | 1.39Å | 1.38Å | Aromatic |
| CAS | CAF | doub | 1.39Å | 1.39Å | Aromatic |
| CAE | CAC | doub | 1.38Å | 1.38Å | Aromatic |
| CAC | CAB | sing | 1.38Å | 1.39Å | Aromatic |
| CAB | CAD | doub | 1.38Å | 1.38Å | Aromatic |
| CAD | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| NAP | CAV | doub | 1.32Å | 1.35Å | |
| CAV | CAU | sing | 1.48Å | 1.35Å | |
| CAU | NAN | sing | 1.37Å | 1.34Å | Aromatic |
| CAU | NAO | doub | 1.31Å | 1.34Å | Aromatic |
| NAN | CAG | sing | 1.36Å | 1.33Å | Aromatic |
| CAG | NAR | doub | 1.31Å | 1.33Å | Aromatic |
| NAR | NAO | sing | 1.29Å | 1.30Å | Aromatic |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ1 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ2 | sing | 1.09Å | 1.10Å | |
| CAX | HAX | sing | 1.09Å | 1.10Å | |
| CAI | HAI1 | sing | 1.09Å | 1.10Å | |
| CAI | HAI2 | sing | 1.09Å | 1.10Å | |
| CAK | HAK1 | sing | 1.09Å | 1.10Å | |
| CAK | HAK2 | sing | 1.09Å | 1.10Å | |
| CAM | HAM1 | sing | 1.09Å | 1.10Å | |
| CAM | HAM2 | sing | 1.09Å | 1.10Å | |
| NAQ | HAQ | sing | 0.97Å | 1.00Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| NAN | HAN | sing | 0.97Å | 1.00Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAJ | CAL | CAX | 105.8° | 109.4° |
| CAL | CAJ | CAI | 110.7° | 109.5° |
| CAJ | CAL | HAL1 | 110.4° | 109.5° |
| CAJ | CAL | HAL2 | 110.4° | 109.5° |
| CAL | CAJ | HAJ1 | 109.2° | 109.4° |
| CAL | CAJ | HAJ2 | 109.2° | 109.5° |
| CAL | CAX | CAM | 110.2° | 109.5° |
| CAL | CAX | NAQ | 105.6° | 109.5° |
| CAX | CAL | HAL1 | 110.4° | 109.5° |
| CAX | CAL | HAL2 | 110.4° | 109.4° |
| CAL | CAX | HAX | 110.3° | 109.4° |
| CAJ | CAI | CAK | 107.0° | 109.5° |
| CAI | CAJ | HAJ1 | 109.2° | 109.5° |
| CAI | CAJ | HAJ2 | 109.2° | 109.5° |
| CAJ | CAI | HAI1 | 110.1° | 109.5° |
| CAJ | CAI | HAI2 | 110.1° | 109.5° |
| CAI | CAK | CAM | 110.9° | 109.5° |
| CAK | CAI | HAI1 | 110.1° | 109.5° |
| CAK | CAI | HAI2 | 110.1° | 109.5° |
| CAI | CAK | HAK1 | 109.1° | 109.5° |
| CAI | CAK | HAK2 | 109.1° | 109.5° |
| CAK | CAM | CAX | 116.0° | 109.5° |
| CAM | CAK | HAK1 | 109.1° | 109.5° |
| CAM | CAK | HAK2 | 109.1° | 109.4° |
| CAK | CAM | HAM1 | 107.8° | 109.4° |
| CAK | CAM | HAM2 | 107.8° | 109.5° |
| CAM | CAX | NAQ | 110.3° | 109.5° |
| CAM | CAX | HAX | 109.4° | 109.5° |
| CAX | CAM | HAM1 | 107.8° | 109.5° |
| CAX | CAM | HAM2 | 107.8° | 109.5° |
| CAX | NAQ | CAT | 125.7° | 120.0° |
| NAQ | CAX | HAX | 110.9° | 109.5° |
| CAX | NAQ | HAQ | 105.3° | 120.0° |
| NAQ | CAT | CAH | 121.9° | 120.6° |
| NAQ | CAT | CAV | 119.8° | 120.6° |
| CAT | NAQ | HAQ | 105.3° | 120.0° |
| CAH | CAT | CAV | 118.2° | 118.8° |
| CAT | CAH | CAW | 119.0° | 119.2° |
| CAT | CAH | HAH | 120.5° | 120.4° |
| CAT | CAV | NAP | 117.6° | 119.5° |
| CAT | CAV | CAU | 128.1° | 120.2° |
| CAH | CAW | OAA | 118.8° | 119.8° |
| CAH | CAW | NAY | 119.0° | 120.4° |
| CAW | CAH | HAH | 120.5° | 120.4° |
| OAA | CAW | NAY | 122.1° | 119.8° |
| CAW | NAY | CAS | 118.8° | 119.4° |
| CAW | NAY | NAP | 122.0° | 121.3° |
| CAS | NAY | NAP | 119.0° | 119.3° |
| NAY | CAS | CAE | 122.8° | 120.1° |
| NAY | CAS | CAF | 117.7° | 120.1° |
| NAY | NAP | CAV | 124.1° | 120.8° |
| CAE | CAS | CAF | 119.4° | 119.9° |
| CAS | CAE | CAC | 119.5° | 119.9° |
| CAS | CAE | HAE | 120.2° | 120.1° |
| CAS | CAF | CAD | 121.2° | 119.9° |
| CAS | CAF | HAF | 119.4° | 120.0° |
| CAE | CAC | CAB | 121.2° | 120.1° |
| CAC | CAE | HAE | 120.3° | 120.0° |
| CAE | CAC | HAC | 119.4° | 120.0° |
| CAC | CAB | CAD | 119.5° | 120.2° |
| CAB | CAC | HAC | 119.4° | 120.0° |
| CAC | CAB | HAB | 120.3° | 119.9° |
| CAB | CAD | CAF | 119.2° | 120.1° |
| CAD | CAB | HAB | 120.2° | 120.0° |
| CAB | CAD | HAD | 120.4° | 120.0° |
| CAD | CAF | HAF | 119.4° | 120.0° |
| CAF | CAD | HAD | 120.4° | 119.9° |
| NAP | CAV | CAU | 114.3° | 120.2° |
| CAV | CAU | NAN | 121.7° | 126.5° |
| CAV | CAU | NAO | 130.7° | 126.5° |
| NAN | CAU | NAO | 107.6° | 107.0° |
| CAU | NAN | CAG | 107.6° | 105.8° |
| CAU | NAN | HAN | 126.2° | 127.1° |
| CAU | NAO | NAR | 108.3° | 109.7° |
| NAN | CAG | NAR | 107.5° | 107.4° |
| CAG | NAN | HAN | 126.2° | 127.1° |
| NAN | CAG | HAG | 126.2° | 126.3° |
| CAG | NAR | NAO | 108.9° | 110.1° |
| NAR | CAG | HAG | 126.3° | 126.2° |
| HAL1 | CAL | HAL2 | 109.5° | 109.5° |
| HAJ1 | CAJ | HAJ2 | 109.5° | 109.5° |
| HAI1 | CAI | HAI2 | 109.5° | 109.4° |
| HAK1 | CAK | HAK2 | 109.5° | 109.4° |
| HAM1 | CAM | HAM2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAJ | CAL | CAX | HAL1 | 119.4° | 120.0° |
| CAJ | CAL | CAX | HAL2 | 119.4° | 120.0° |
| CAL | CAJ | CAI | HAJ1 | 120.2° | 119.9° |
| CAL | CAJ | CAI | HAJ2 | 120.2° | 120.0° |
| CAL | CAJ | CAI | CAK | 69.6° | 60.0° |
| CAJ | CAL | CAX | CAM | 57.3° | 60.0° |
| CAJ | CAL | CAX | NAQ | 176.5° | 180.0° |
| CAJ | CAL | HAL1 | HAL2 | 121.7° | 120.1° |
| CAL | CAJ | HAJ1 | HAJ2 | 119.5° | 120.0° |
| CAJ | CAL | CAX | HAX | 63.6° | 60.0° |
| CAL | CAJ | CAI | HAI1 | 50.1° | 60.0° |
| CAL | CAJ | CAI | HAI2 | 170.8° | 179.9° |
| CAX | CAL | CAJ | CAI | 72.2° | 60.0° |
| CAL | CAX | CAM | CAK | 46.1° | 59.9° |
| CAL | CAX | CAM | NAQ | 116.3° | 120.0° |
| CAL | CAX | CAM | HAX | 121.4° | 120.0° |
| CAL | CAX | NAQ | HAX | 119.5° | 120.0° |
| CAL | CAX | NAQ | CAT | 167.4° | 155.0° |
| CAX | CAL | HAL1 | HAL2 | 121.7° | 120.0° |
| CAX | CAL | CAJ | HAJ1 | 167.6° | 179.9° |
| CAX | CAL | CAJ | HAJ2 | 48.0° | 60.1° |
| CAL | CAX | CAM | HAM1 | 74.9° | 60.0° |
| CAL | CAX | CAM | HAM2 | 167.0° | 180.0° |
| CAL | CAX | NAQ | HAQ | 45.3° | 25.0° |
| CAJ | CAI | CAK | HAI1 | 119.6° | 120.1° |
| CAJ | CAI | CAK | HAI2 | 119.6° | 120.0° |
| CAJ | CAI | CAK | CAM | 51.7° | 60.0° |
| CAI | CAJ | CAL | HAL1 | 168.3° | 180.0° |
| CAI | CAJ | CAL | HAL2 | 47.2° | 59.9° |
| CAI | CAJ | HAJ1 | HAJ2 | 119.4° | 120.1° |
| CAJ | CAI | HAI1 | HAI2 | 121.2° | 120.0° |
| CAJ | CAI | CAK | HAK1 | 171.9° | 180.0° |
| CAJ | CAI | CAK | HAK2 | 68.5° | 59.9° |
| CAI | CAK | CAM | HAK1 | 120.2° | 120.1° |
| CAI | CAK | CAM | HAK2 | 120.2° | 120.0° |
| CAI | CAK | CAM | CAX | 43.4° | 59.9° |
| CAK | CAI | CAJ | HAJ1 | 170.3° | 179.9° |
| CAK | CAI | CAJ | HAJ2 | 50.6° | 60.0° |
| CAK | CAI | HAI1 | HAI2 | 121.2° | 120.0° |
| CAI | CAK | HAK1 | HAK2 | 119.3° | 120.0° |
| CAI | CAK | CAM | HAM1 | 77.5° | 60.0° |
| CAI | CAK | CAM | HAM2 | 164.4° | 179.9° |
| CAK | CAM | CAX | HAM1 | 120.9° | 119.9° |
| CAK | CAM | CAX | HAM2 | 121.0° | 120.0° |
| CAK | CAM | CAX | NAQ | 162.4° | 180.0° |
| CAK | CAM | CAX | HAX | 75.3° | 60.0° |
| CAM | CAK | CAI | HAI1 | 67.9° | 60.1° |
| CAM | CAK | CAI | HAI2 | 171.3° | 180.0° |
| CAM | CAK | HAK1 | HAK2 | 119.3° | 119.9° |
| CAK | CAM | HAM1 | HAM2 | 117.1° | 120.0° |
| CAM | CAX | NAQ | HAX | 121.4° | 120.0° |
| CAM | CAX | NAQ | CAT | 73.4° | 85.0° |
| CAM | CAX | CAL | HAL1 | 176.7° | 180.0° |
| CAM | CAX | CAL | HAL2 | 62.1° | 60.0° |
| CAX | CAM | CAK | HAK1 | 163.7° | 180.0° |
| CAX | CAM | CAK | HAK2 | 76.8° | 60.0° |
| CAX | CAM | HAM1 | HAM2 | 117.0° | 120.0° |
| CAM | CAX | NAQ | HAQ | 164.4° | 95.0° |
| CAX | NAQ | CAT | HAQ | 122.2° | 180.0° |
| CAX | NAQ | CAT | CAH | 41.5° | 0.0° |
| CAX | NAQ | CAT | CAV | 142.1° | 179.7° |
| NAQ | CAX | CAL | HAL1 | 64.1° | 60.0° |
| NAQ | CAX | CAL | HAL2 | 57.1° | 60.1° |
| NAQ | CAX | CAM | HAM1 | 41.4° | 60.0° |
| NAQ | CAX | CAM | HAM2 | 76.7° | 60.0° |
| NAQ | CAT | CAH | CAV | 176.4° | 179.7° |
| NAQ | CAT | CAH | CAW | 178.0° | 180.0° |
| NAQ | CAT | CAV | NAP | 177.4° | 179.7° |
| NAQ | CAT | CAV | CAU | 2.0° | 0.0° |
| CAT | NAQ | CAX | HAX | 48.0° | 35.0° |
| NAQ | CAT | CAH | HAH | 2.0° | 0.0° |
| CAT | CAH | CAW | HAH | 180.0° | 180.0° |
| CAT | CAH | CAW | OAA | 178.7° | 180.0° |
| CAT | CAH | CAW | NAY | 0.2° | 0.0° |
| CAH | CAT | CAV | NAP | 0.9° | 0.6° |
| CAH | CAT | CAV | CAU | 178.5° | 179.7° |
| CAH | CAT | NAQ | HAQ | 163.7° | 180.0° |
| CAV | CAT | CAH | CAW | 1.6° | 0.3° |
| CAT | CAV | NAP | NAY | 1.5° | 0.5° |
| CAT | CAV | NAP | CAU | 179.5° | 179.7° |
| CAT | CAV | CAU | NAN | 179.6° | 180.0° |
| CAT | CAV | CAU | NAO | 2.0° | 0.3° |
| CAV | CAT | NAQ | HAQ | 20.0° | 0.3° |
| CAV | CAT | CAH | HAH | 178.4° | 179.7° |
| CAH | CAW | OAA | NAY | 178.8° | 180.0° |
| CAH | CAW | NAY | CAS | 178.1° | 180.0° |
| CAH | CAW | NAY | NAP | 2.3° | 0.0° |
| OAA | CAW | NAY | CAS | 3.1° | 0.1° |
| OAA | CAW | NAY | NAP | 178.9° | 180.0° |
| OAA | CAW | CAH | HAH | 1.3° | 0.0° |
| CAW | NAY | CAS | NAP | 176.0° | 179.9° |
| CAW | NAY | CAS | CAE | 48.4° | 48.7° |
| CAW | NAY | CAS | CAF | 128.2° | 131.5° |
| CAW | NAY | NAP | CAV | 3.2° | 0.3° |
| NAY | CAW | CAH | HAH | 179.8° | 180.0° |
| NAY | CAS | CAE | CAF | 176.5° | 179.7° |
| NAY | CAS | CAE | CAC | 177.7° | 180.0° |
| NAY | CAS | CAF | CAD | 177.1° | 179.7° |
| CAS | NAY | NAP | CAV | 179.0° | 179.7° |
| NAY | CAS | CAE | HAE | 2.4° | 0.0° |
| NAY | CAS | CAF | HAF | 2.9° | 0.1° |
| NAP | NAY | CAS | CAE | 135.6° | 131.2° |
| NAP | NAY | CAS | CAF | 47.8° | 48.6° |
| NAY | NAP | CAV | CAU | 179.0° | 179.7° |
| CAS | CAE | CAC | HAE | 180.0° | 180.0° |
| CAS | CAE | CAC | CAB | 1.0° | 0.0° |
| CAE | CAS | CAF | CAD | 0.4° | 0.5° |
| CAE | CAS | CAF | HAF | 179.6° | 179.8° |
| CAS | CAE | CAC | HAC | 179.0° | 180.0° |
| CAF | CAS | CAE | CAC | 1.1° | 0.3° |
| CAS | CAF | CAD | CAB | 0.4° | 0.5° |
| CAS | CAF | CAD | HAF | 180.0° | 179.7° |
| CAF | CAS | CAE | HAE | 178.9° | 179.7° |
| CAS | CAF | CAD | HAD | 179.6° | 179.7° |
| CAE | CAC | CAB | HAC | 180.0° | 180.0° |
| CAE | CAC | CAB | CAD | 0.2° | 0.0° |
| CAE | CAC | CAB | HAB | 179.8° | 180.0° |
| CAC | CAB | CAD | HAB | 180.0° | 180.0° |
| CAC | CAB | CAD | CAF | 0.5° | 0.3° |
| CAB | CAC | CAE | HAE | 179.0° | 180.0° |
| CAC | CAB | CAD | HAD | 179.5° | 180.0° |
| CAB | CAD | CAF | HAD | 180.0° | 179.7° |
| CAB | CAD | CAF | HAF | 179.6° | 179.8° |
| CAD | CAB | CAC | HAC | 179.8° | 180.0° |
| CAF | CAD | CAB | HAB | 179.5° | 179.8° |
| NAP | CAV | CAU | NAN | 1.0° | 0.2° |
| NAP | CAV | CAU | NAO | 177.4° | 180.0° |
| CAV | CAU | NAN | NAO | 178.7° | 179.8° |
| CAV | CAU | NAN | CAG | 178.7° | 180.0° |
| CAV | CAU | NAO | NAR | 178.2° | 179.8° |
| CAV | CAU | NAN | HAN | 1.3° | 0.0° |
| CAU | NAN | CAG | HAN | 180.0° | 180.0° |
| CAU | NAN | CAG | NAR | 0.4° | 0.0° |
| NAN | CAU | NAO | NAR | 0.4° | 0.4° |
| CAU | NAN | CAG | HAG | 179.6° | 180.0° |
| NAO | CAU | NAN | CAG | 0.0° | 0.2° |
| CAU | NAO | NAR | CAG | 0.7° | 0.5° |
| NAO | CAU | NAN | HAN | 179.9° | 179.7° |
| NAN | CAG | NAR | HAG | 180.0° | 180.0° |
| NAN | CAG | NAR | NAO | 0.7° | 0.3° |
| NAR | CAG | NAN | HAN | 179.6° | 180.0° |
| NAO | NAR | CAG | HAG | 179.4° | 179.7° |
| HAL1 | CAL | CAJ | HAJ1 | 48.2° | 60.1° |
| HAL1 | CAL | CAJ | HAJ2 | 71.5° | 59.9° |
| HAL1 | CAL | CAX | HAX | 55.8° | 60.0° |
| HAL2 | CAL | CAJ | HAJ1 | 73.0° | 60.0° |
| HAL2 | CAL | CAJ | HAJ2 | 167.4° | 180.0° |
| HAL2 | CAL | CAX | HAX | 177.0° | 180.0° |
| HAJ1 | CAJ | CAI | HAI1 | 70.1° | 59.9° |
| HAJ1 | CAJ | CAI | HAI2 | 50.7° | 60.0° |
| HAJ2 | CAJ | CAI | HAI1 | 170.3° | 180.0° |
| HAJ2 | CAJ | CAI | HAI2 | 69.0° | 60.0° |
| HAX | CAX | CAM | HAM1 | 163.7° | 179.9° |
| HAX | CAX | CAM | HAM2 | 45.6° | 60.0° |
| HAX | CAX | NAQ | HAQ | 74.2° | 145.0° |
| HAI1 | CAI | CAK | HAK1 | 52.3° | 60.0° |
| HAI1 | CAI | CAK | HAK2 | 171.9° | 180.0° |
| HAI2 | CAI | CAK | HAK1 | 68.5° | 59.9° |
| HAI2 | CAI | CAK | HAK2 | 51.1° | 60.1° |
| HAK1 | CAK | CAM | HAM1 | 42.7° | 60.1° |
| HAK1 | CAK | CAM | HAM2 | 75.4° | 60.0° |
| HAK2 | CAK | CAM | HAM1 | 162.3° | 180.0° |
| HAK2 | CAK | CAM | HAM2 | 44.1° | 60.0° |
| HAE | CAE | CAC | HAC | 1.0° | 0.0° |
| HAF | CAF | CAD | HAD | 0.4° | 0.1° |
| HAC | CAC | CAB | HAB | 0.2° | 0.0° |
| HAB | CAB | CAD | HAD | 0.5° | 0.0° |
| HAN | NAN | CAG | HAG | 0.3° | 0.0° |
