4VQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | CAT | sing | 1.51Å | 1.53Å | |
| CAT | CAK | sing | 1.38Å | 1.41Å | Aromatic |
| CAT | CBA | doub | 1.40Å | 1.44Å | Aromatic |
| CAK | CAV | doub | 1.40Å | 1.37Å | Aromatic |
| CBA | CAS | sing | 1.48Å | 1.53Å | |
| CBA | CAI | sing | 1.40Å | 1.41Å | Aromatic |
| CAS | OAG | doub | 1.22Å | 1.18Å | |
| CAS | OAF | sing | 1.35Å | 1.40Å | |
| CAI | CAH | doub | 1.38Å | 1.37Å | Aromatic |
| CAH | CAV | sing | 1.40Å | 1.48Å | Aromatic |
| CAV | CBB | sing | 1.48Å | 1.53Å | Aromatic |
| CBB | NAO | doub | 1.33Å | 1.31Å | Aromatic |
| CBB | CAU | sing | 1.40Å | 1.48Å | Aromatic |
| NAO | CAX | sing | 1.33Å | 1.36Å | Aromatic |
| CAU | NAE | sing | 1.39Å | 1.45Å | |
| CAU | NAN | doub | 1.33Å | 1.31Å | Aromatic |
| NAN | CAJ | sing | 1.32Å | 1.36Å | Aromatic |
| CAJ | CAX | doub | 1.40Å | 1.43Å | Aromatic |
| CAX | CAW | sing | 1.48Å | 1.53Å | Aromatic |
| CAW | CAM | sing | 1.39Å | 1.36Å | Aromatic |
| CAW | CAL | doub | 1.39Å | 1.48Å | Aromatic |
| CAM | CAZ | doub | 1.38Å | 1.41Å | Aromatic |
| CAL | CAY | sing | 1.38Å | 1.37Å | Aromatic |
| CAY | OAP | sing | 1.36Å | 1.40Å | |
| CAY | CBC | doub | 1.39Å | 1.41Å | Aromatic |
| OAP | CAA | sing | 1.43Å | 1.40Å | |
| CBC | OAR | sing | 1.36Å | 1.40Å | |
| CBC | CAZ | sing | 1.39Å | 1.44Å | Aromatic |
| OAR | CAC | sing | 1.43Å | 1.40Å | |
| CAZ | OAQ | sing | 1.36Å | 1.40Å | |
| OAQ | CAB | sing | 1.43Å | 1.40Å | |
| CAD | HAD1 | sing | 1.09Å | 1.10Å | |
| CAD | HAD2 | sing | 1.09Å | 1.10Å | |
| CAD | HAD3 | sing | 1.09Å | 1.10Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| OAF | HAF | sing | 0.97Å | 0.95Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| NAE | HAE1 | sing | 0.97Å | 1.00Å | |
| NAE | HAE2 | sing | 0.97Å | 1.00Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAC | HAC1 | sing | 1.09Å | 1.10Å | |
| CAC | HAC2 | sing | 1.09Å | 1.10Å | |
| CAC | HAC3 | sing | 1.09Å | 1.10Å | |
| CAB | HAB1 | sing | 1.09Å | 1.10Å | |
| CAB | HAB2 | sing | 1.09Å | 1.10Å | |
| CAB | HAB3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAD | CAT | CAK | 119.6° | 120.0° |
| CAD | CAT | CBA | 120.3° | 120.0° |
| CAT | CAD | HAD1 | 109.5° | 109.5° |
| CAT | CAD | HAD2 | 109.5° | 109.5° |
| CAT | CAD | HAD3 | 109.4° | 109.4° |
| CAK | CAT | CBA | 120.1° | 120.0° |
| CAT | CAK | CAV | 120.1° | 120.1° |
| CAT | CAK | HAK | 120.0° | 120.0° |
| CAT | CBA | CAS | 120.6° | 120.1° |
| CAT | CBA | CAI | 119.7° | 119.9° |
| CAK | CAV | CAH | 119.9° | 120.0° |
| CAK | CAV | CBB | 120.0° | 120.0° |
| CAV | CAK | HAK | 120.0° | 120.0° |
| CAS | CBA | CAI | 119.7° | 120.0° |
| CBA | CAS | OAG | 119.6° | 120.0° |
| CBA | CAS | OAF | 120.3° | 120.0° |
| CBA | CAI | CAH | 120.2° | 120.0° |
| CBA | CAI | HAI | 119.9° | 120.0° |
| OAG | CAS | OAF | 119.5° | 120.0° |
| CAS | OAF | HAF | 109.5° | 117.0° |
| CAI | CAH | CAV | 119.9° | 120.0° |
| CAH | CAI | HAI | 119.9° | 120.0° |
| CAI | CAH | HAH | 120.1° | 120.0° |
| CAH | CAV | CBB | 120.0° | 120.0° |
| CAV | CAH | HAH | 120.0° | 120.0° |
| CAV | CBB | NAO | 120.4° | 120.1° |
| CAV | CBB | CAU | 119.7° | 120.1° |
| NAO | CBB | CAU | 119.9° | 119.8° |
| CBB | NAO | CAX | 119.8° | 119.9° |
| CBB | CAU | NAE | 119.8° | 120.1° |
| CBB | CAU | NAN | 120.2° | 119.9° |
| NAO | CAX | CAJ | 120.3° | 120.1° |
| NAO | CAX | CAW | 119.6° | 120.0° |
| NAE | CAU | NAN | 120.0° | 120.1° |
| CAU | NAE | HAE1 | 109.5° | 120.0° |
| CAU | NAE | HAE2 | 109.5° | 120.0° |
| CAU | NAN | CAJ | 119.9° | 120.1° |
| NAN | CAJ | CAX | 119.9° | 120.2° |
| NAN | CAJ | HAJ | 120.1° | 119.9° |
| CAJ | CAX | CAW | 120.1° | 119.9° |
| CAX | CAJ | HAJ | 120.1° | 119.9° |
| CAX | CAW | CAM | 119.9° | 120.0° |
| CAX | CAW | CAL | 119.9° | 120.0° |
| CAM | CAW | CAL | 120.2° | 119.9° |
| CAW | CAM | CAZ | 119.8° | 119.9° |
| CAW | CAM | HAM | 120.1° | 120.1° |
| CAW | CAL | CAY | 120.0° | 120.0° |
| CAW | CAL | HAL | 120.0° | 120.1° |
| CAM | CAZ | CBC | 120.1° | 120.1° |
| CAM | CAZ | OAQ | 119.5° | 120.0° |
| CAZ | CAM | HAM | 120.1° | 120.0° |
| CAL | CAY | OAP | 120.3° | 120.0° |
| CAL | CAY | CBC | 119.7° | 120.0° |
| CAY | CAL | HAL | 120.0° | 120.0° |
| OAP | CAY | CBC | 119.9° | 120.0° |
| CAY | OAP | CAA | 120.1° | 117.0° |
| CAY | CBC | OAR | 119.5° | 120.0° |
| CAY | CBC | CAZ | 120.1° | 120.1° |
| OAP | CAA | HAA1 | 109.5° | 109.5° |
| OAP | CAA | HAA2 | 109.5° | 109.5° |
| OAP | CAA | HAA3 | 109.4° | 109.5° |
| OAR | CBC | CAZ | 120.3° | 120.0° |
| CBC | OAR | CAC | 119.3° | 117.0° |
| CBC | CAZ | OAQ | 120.4° | 120.0° |
| OAR | CAC | HAC1 | 109.5° | 109.5° |
| OAR | CAC | HAC2 | 109.5° | 109.5° |
| OAR | CAC | HAC3 | 109.5° | 109.4° |
| CAZ | OAQ | CAB | 119.2° | 117.0° |
| OAQ | CAB | HAB1 | 109.5° | 109.5° |
| OAQ | CAB | HAB2 | 109.5° | 109.5° |
| OAQ | CAB | HAB3 | 109.5° | 109.5° |
| HAD1 | CAD | HAD2 | 109.4° | 109.4° |
| HAD1 | CAD | HAD3 | 109.5° | 109.5° |
| HAD2 | CAD | HAD3 | 109.5° | 109.5° |
| HAE1 | NAE | HAE2 | 109.4° | 120.1° |
| HAA1 | CAA | HAA2 | 109.5° | 109.4° |
| HAA1 | CAA | HAA3 | 109.4° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.4° |
| HAC1 | CAC | HAC2 | 109.5° | 109.5° |
| HAC1 | CAC | HAC3 | 109.4° | 109.5° |
| HAC2 | CAC | HAC3 | 109.5° | 109.5° |
| HAB1 | CAB | HAB2 | 109.5° | 109.5° |
| HAB1 | CAB | HAB3 | 109.4° | 109.4° |
| HAB2 | CAB | HAB3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAD | CAT | CAK | CBA | 179.6° | 179.7° |
| CAD | CAT | CAK | CAV | 179.7° | 179.9° |
| CAD | CAT | CBA | CAS | 0.6° | 0.1° |
| CAD | CAT | CBA | CAI | 179.7° | 179.9° |
| CAT | CAD | HAD1 | HAD2 | 120.0° | 120.0° |
| CAT | CAD | HAD1 | HAD3 | 120.0° | 120.0° |
| CAT | CAD | HAD2 | HAD3 | 120.0° | 120.0° |
| CAD | CAT | CAK | HAK | 0.3° | 0.1° |
| CAT | CAK | CAV | HAK | 180.0° | 180.0° |
| CAK | CAT | CBA | CAS | 179.8° | 179.7° |
| CAK | CAT | CBA | CAI | 0.1° | 0.3° |
| CAT | CAK | CAV | CAH | 0.1° | 0.0° |
| CAT | CAK | CAV | CBB | 179.0° | 179.9° |
| CAK | CAT | CAD | HAD1 | 14.0° | 96.4° |
| CAK | CAT | CAD | HAD2 | 106.0° | 143.6° |
| CAK | CAT | CAD | HAD3 | 134.0° | 23.6° |
| CBA | CAT | CAK | CAV | 0.1° | 0.3° |
| CAT | CBA | CAS | CAI | 179.7° | 180.0° |
| CAT | CBA | CAS | OAG | 133.2° | 6.0° |
| CAT | CBA | CAS | OAF | 55.7° | 173.9° |
| CAT | CBA | CAI | CAH | 0.0° | 0.0° |
| CBA | CAT | CAD | HAD1 | 166.4° | 83.9° |
| CBA | CAT | CAD | HAD2 | 73.6° | 36.1° |
| CBA | CAT | CAD | HAD3 | 46.4° | 156.1° |
| CBA | CAT | CAK | HAK | 179.9° | 179.8° |
| CAT | CBA | CAI | HAI | 180.0° | 180.0° |
| CAK | CAV | CAH | CAI | 0.0° | 0.3° |
| CAK | CAV | CAH | CBB | 178.9° | 179.9° |
| CAK | CAV | CBB | NAO | 118.1° | 44.8° |
| CAK | CAV | CBB | CAU | 61.3° | 135.6° |
| CAK | CAV | CAH | HAH | 180.0° | 180.0° |
| CBA | CAS | OAG | OAF | 171.2° | 179.9° |
| CAS | CBA | CAI | CAH | 179.7° | 180.0° |
| CAS | CBA | CAI | HAI | 0.3° | 0.0° |
| CBA | CAS | OAF | HAF | 171.1° | 180.0° |
| CAI | CBA | CAS | OAG | 46.4° | 174.0° |
| CAI | CBA | CAS | OAF | 124.7° | 6.1° |
| CBA | CAI | CAH | HAI | 180.0° | 180.0° |
| CBA | CAI | CAH | CAV | 0.0° | 0.3° |
| CBA | CAI | CAH | HAH | 180.0° | 180.0° |
| OAG | CAS | OAF | HAF | 0.0° | 0.1° |
| CAI | CAH | CAV | HAH | 180.0° | 179.7° |
| CAI | CAH | CAV | CBB | 179.0° | 179.8° |
| CAH | CAV | CBB | NAO | 62.9° | 135.3° |
| CAH | CAV | CBB | CAU | 117.6° | 44.4° |
| CAH | CAV | CAK | HAK | 179.9° | 179.9° |
| CAV | CAH | CAI | HAI | 180.0° | 179.7° |
| CAV | CBB | NAO | CAU | 179.4° | 179.7° |
| CAV | CBB | NAO | CAX | 179.7° | 180.0° |
| CAV | CBB | CAU | NAE | 0.4° | 0.1° |
| CAV | CBB | CAU | NAN | 179.7° | 180.0° |
| CBB | CAV | CAK | HAK | 1.0° | 0.0° |
| CBB | CAV | CAH | HAH | 1.0° | 0.1° |
| NAO | CBB | CAU | NAE | 179.0° | 179.8° |
| NAO | CBB | CAU | NAN | 0.3° | 0.3° |
| CBB | NAO | CAX | CAJ | 0.1° | 0.1° |
| CBB | NAO | CAX | CAW | 179.2° | 180.0° |
| CAU | CBB | NAO | CAX | 0.3° | 0.3° |
| CBB | CAU | NAE | NAN | 179.3° | 179.9° |
| CBB | CAU | NAN | CAJ | 0.1° | 0.1° |
| CBB | CAU | NAE | HAE1 | 174.1° | 8.8° |
| CBB | CAU | NAE | HAE2 | 65.9° | 171.2° |
| NAO | CAX | CAJ | NAN | 0.1° | 0.2° |
| NAO | CAX | CAJ | CAW | 179.3° | 180.0° |
| NAO | CAX | CAW | CAM | 170.5° | 175.0° |
| NAO | CAX | CAW | CAL | 7.3° | 4.7° |
| NAO | CAX | CAJ | HAJ | 179.9° | 180.0° |
| NAE | CAU | NAN | CAJ | 179.3° | 180.0° |
| CAU | NAE | HAE1 | HAE2 | 120.0° | 180.0° |
| CAU | NAN | CAJ | CAX | 0.1° | 0.2° |
| NAN | CAU | NAE | HAE1 | 5.2° | 171.1° |
| NAN | CAU | NAE | HAE2 | 114.8° | 8.9° |
| CAU | NAN | CAJ | HAJ | 179.9° | 180.0° |
| NAN | CAJ | CAX | HAJ | 180.0° | 179.8° |
| NAN | CAJ | CAX | CAW | 179.4° | 179.8° |
| CAJ | CAX | CAW | CAM | 8.7° | 5.0° |
| CAJ | CAX | CAW | CAL | 173.4° | 175.2° |
| CAX | CAW | CAM | CAL | 177.9° | 179.8° |
| CAX | CAW | CAM | CAZ | 179.3° | 180.0° |
| CAX | CAW | CAL | CAY | 179.2° | 180.0° |
| CAW | CAX | CAJ | HAJ | 0.6° | 0.0° |
| CAX | CAW | CAM | HAM | 0.7° | 0.0° |
| CAX | CAW | CAL | HAL | 0.8° | 0.1° |
| CAW | CAM | CAZ | HAM | 180.0° | 180.0° |
| CAM | CAW | CAL | CAY | 1.3° | 0.2° |
| CAW | CAM | CAZ | CBC | 0.8° | 0.0° |
| CAW | CAM | CAZ | OAQ | 178.9° | 180.0° |
| CAM | CAW | CAL | HAL | 178.7° | 179.7° |
| CAL | CAW | CAM | CAZ | 1.4° | 0.2° |
| CAW | CAL | CAY | HAL | 180.0° | 179.9° |
| CAW | CAL | CAY | OAP | 178.6° | 180.0° |
| CAW | CAL | CAY | CBC | 0.5° | 0.1° |
| CAL | CAW | CAM | HAM | 178.6° | 179.8° |
| CAM | CAZ | CBC | CAY | 0.1° | 0.3° |
| CAM | CAZ | CBC | OAR | 179.5° | 180.0° |
| CAM | CAZ | CBC | OAQ | 179.7° | 180.0° |
| CAM | CAZ | OAQ | CAB | 111.4° | 0.0° |
| CAL | CAY | OAP | CBC | 179.1° | 179.9° |
| CAL | CAY | OAP | CAA | 9.2° | 0.1° |
| CAL | CAY | CBC | OAR | 179.7° | 180.0° |
| CAL | CAY | CBC | CAZ | 0.2° | 0.3° |
| OAP | CAY | CBC | OAR | 1.2° | 0.1° |
| OAP | CAY | CBC | CAZ | 179.3° | 179.8° |
| OAP | CAY | CAL | HAL | 1.4° | 0.2° |
| CAY | OAP | CAA | HAA1 | 81.7° | 179.9° |
| CAY | OAP | CAA | HAA2 | 38.3° | 60.0° |
| CAY | OAP | CAA | HAA3 | 158.3° | 60.0° |
| CBC | CAY | OAP | CAA | 171.7° | 180.0° |
| CAY | CBC | OAR | CAZ | 179.5° | 179.7° |
| CAY | CBC | OAR | CAC | 84.0° | 90.0° |
| CAY | CBC | CAZ | OAQ | 179.7° | 179.7° |
| CBC | CAY | CAL | HAL | 179.5° | 180.0° |
| OAP | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| OAP | CAA | HAA1 | HAA3 | 120.0° | 120.1° |
| OAP | CAA | HAA2 | HAA3 | 120.0° | 120.1° |
| OAR | CBC | CAZ | OAQ | 0.8° | 0.0° |
| CBC | OAR | CAC | HAC1 | 46.3° | 60.0° |
| CBC | OAR | CAC | HAC2 | 73.7° | 60.0° |
| CBC | OAR | CAC | HAC3 | 166.2° | 180.0° |
| CAZ | CBC | OAR | CAC | 95.5° | 90.3° |
| CBC | CAZ | OAQ | CAB | 68.3° | 180.0° |
| CBC | CAZ | CAM | HAM | 179.2° | 180.0° |
| OAR | CAC | HAC1 | HAC2 | 120.0° | 120.0° |
| OAR | CAC | HAC1 | HAC3 | 120.0° | 119.9° |
| OAR | CAC | HAC2 | HAC3 | 120.0° | 119.9° |
| OAQ | CAZ | CAM | HAM | 1.1° | 0.0° |
| CAZ | OAQ | CAB | HAB1 | 151.2° | 60.0° |
| CAZ | OAQ | CAB | HAB2 | 88.7° | 60.0° |
| CAZ | OAQ | CAB | HAB3 | 31.3° | 180.0° |
| OAQ | CAB | HAB1 | HAB2 | 120.0° | 120.0° |
| OAQ | CAB | HAB1 | HAB3 | 120.0° | 120.0° |
| OAQ | CAB | HAB2 | HAB3 | 120.0° | 120.1° |
| HAD1 | CAD | HAD2 | HAD3 | 120.0° | 120.0° |
| HAI | CAI | CAH | HAH | 0.0° | 0.0° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HAC1 | CAC | HAC2 | HAC3 | 119.9° | 120.0° |
| HAB1 | CAB | HAB2 | HAB3 | 120.0° | 119.9° |
