8QK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | CAR | sing | 1.74Å | 1.70Å | |
| CAR | CAM | doub | 1.38Å | 1.38Å | Aromatic |
| CAR | CAT | sing | 1.39Å | 1.38Å | Aromatic |
| CAM | CAX | sing | 1.39Å | 1.33Å | Aromatic |
| OAC | CAT | sing | 1.36Å | 1.36Å | |
| CAT | CAV | doub | 1.38Å | 1.37Å | Aromatic |
| CAK | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | CAU | sing | 1.39Å | 1.39Å | Aromatic |
| CAX | OAP | sing | 1.35Å | 1.31Å | Aromatic |
| CAX | CBA | doub | 1.40Å | 1.35Å | Aromatic |
| OAO | CAU | sing | 1.36Å | 1.36Å | |
| OAO | CAA | sing | 1.43Å | 1.44Å | |
| OAP | CAZ | sing | 1.35Å | 1.32Å | Aromatic |
| CAI | CAS | sing | 1.40Å | 1.39Å | Aromatic |
| CAU | CAJ | doub | 1.39Å | 1.39Å | Aromatic |
| CAV | CBA | sing | 1.39Å | 1.34Å | Aromatic |
| CAV | CL2 | sing | 1.74Å | 1.76Å | |
| CBA | CAY | sing | 1.48Å | 1.34Å | Aromatic |
| CAZ | CAY | doub | 1.40Å | 1.33Å | Aromatic |
| CAZ | CAW | sing | 1.41Å | 1.32Å | Aromatic |
| CAF | CAW | sing | 1.47Å | 1.40Å | |
| CAF | NAN | doub | 1.31Å | 1.33Å | |
| CAS | NAN | sing | 1.37Å | 1.33Å | |
| CAS | CAH | doub | 1.40Å | 1.39Å | Aromatic |
| CAJ | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAY | CAL | sing | 1.39Å | 1.34Å | Aromatic |
| CAW | CAQ | doub | 1.40Å | 1.40Å | Aromatic |
| CAL | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAQ | CAG | sing | 1.39Å | 1.39Å | Aromatic |
| CAQ | OAB | sing | 1.36Å | 1.36Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAF | H4 | sing | 1.08Å | 1.08Å | |
| CAG | H5 | sing | 1.08Å | 1.08Å | |
| CAH | H6 | sing | 1.08Å | 1.08Å | |
| CAI | H7 | sing | 1.08Å | 1.08Å | |
| CAJ | H8 | sing | 1.08Å | 1.08Å | |
| CAK | H9 | sing | 1.08Å | 1.08Å | |
| CAL | H10 | sing | 1.08Å | 1.08Å | |
| CAM | H11 | sing | 1.08Å | 1.08Å | |
| OAB | H12 | sing | 0.97Å | 0.95Å | |
| OAC | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | CAR | CAM | 120.8° | 119.8° |
| CL1 | CAR | CAT | 122.0° | 119.7° |
| CAM | CAR | CAT | 117.2° | 120.5° |
| CAR | CAM | CAX | 119.9° | 120.2° |
| CAR | CAM | H11 | 120.1° | 119.9° |
| CAR | CAT | OAC | 119.7° | 120.0° |
| CAR | CAT | CAV | 121.7° | 120.0° |
| CAM | CAX | OAP | 129.3° | 132.2° |
| CAM | CAX | CBA | 122.4° | 119.3° |
| CAX | CAM | H11 | 120.1° | 119.9° |
| OAC | CAT | CAV | 118.6° | 120.0° |
| CAT | OAC | H13 | 109.5° | 114.0° |
| CAT | CAV | CBA | 118.8° | 119.7° |
| CAT | CAV | CL2 | 117.3° | 120.2° |
| CAI | CAK | CAU | 120.0° | 120.1° |
| CAK | CAI | CAS | 119.6° | 119.9° |
| CAK | CAI | H7 | 120.2° | 120.1° |
| CAI | CAK | H9 | 120.0° | 119.9° |
| CAK | CAU | OAO | 120.0° | 119.9° |
| CAK | CAU | CAJ | 120.0° | 120.2° |
| CAU | CAK | H9 | 120.0° | 119.9° |
| OAP | CAX | CBA | 108.3° | 108.4° |
| CAX | OAP | CAZ | 109.1° | 111.5° |
| CAX | CBA | CAV | 120.0° | 120.3° |
| CAX | CBA | CAY | 106.7° | 105.7° |
| CAU | OAO | CAA | 112.4° | 116.9° |
| OAO | CAU | CAJ | 120.0° | 119.9° |
| OAO | CAA | H1 | 109.5° | 109.4° |
| OAO | CAA | H2 | 109.5° | 109.5° |
| OAO | CAA | H3 | 109.4° | 109.5° |
| OAP | CAZ | CAY | 108.0° | 108.6° |
| OAP | CAZ | CAW | 129.1° | 132.3° |
| CAI | CAS | NAN | 121.8° | 120.1° |
| CAI | CAS | CAH | 120.4° | 119.8° |
| CAS | CAI | H7 | 120.2° | 120.0° |
| CAU | CAJ | CAH | 119.9° | 120.1° |
| CAU | CAJ | H8 | 120.0° | 119.9° |
| CBA | CAV | CL2 | 123.9° | 120.2° |
| CAV | CBA | CAY | 133.3° | 133.9° |
| CBA | CAY | CAZ | 107.8° | 105.6° |
| CBA | CAY | CAL | 132.3° | 133.9° |
| CAY | CAZ | CAW | 122.9° | 119.1° |
| CAZ | CAY | CAL | 119.9° | 120.5° |
| CAZ | CAW | CAF | 116.0° | 120.1° |
| CAZ | CAW | CAQ | 118.7° | 119.7° |
| CAW | CAF | NAN | 117.0° | 120.0° |
| CAF | CAW | CAQ | 125.2° | 120.2° |
| CAW | CAF | H4 | 121.5° | 120.0° |
| CAF | NAN | CAS | 120.2° | 119.9° |
| NAN | CAF | H4 | 121.5° | 120.0° |
| NAN | CAS | CAH | 117.8° | 120.1° |
| CAS | CAH | CAJ | 120.0° | 119.9° |
| CAS | CAH | H6 | 120.0° | 120.0° |
| CAJ | CAH | H6 | 120.0° | 120.1° |
| CAH | CAJ | H8 | 120.0° | 119.9° |
| CAY | CAL | CAG | 121.4° | 120.3° |
| CAY | CAL | H10 | 119.3° | 119.9° |
| CAW | CAQ | CAG | 119.9° | 120.3° |
| CAW | CAQ | OAB | 119.0° | 119.8° |
| CAL | CAG | CAQ | 117.2° | 120.3° |
| CAL | CAG | H5 | 121.4° | 119.9° |
| CAG | CAL | H10 | 119.3° | 119.8° |
| CAG | CAQ | OAB | 121.1° | 119.9° |
| CAQ | CAG | H5 | 121.4° | 119.8° |
| CAQ | OAB | H12 | 109.5° | 114.0° |
| H1 | CAA | H2 | 109.5° | 109.4° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | CAR | CAM | CAT | 179.2° | 179.9° |
| CL1 | CAR | CAM | CAX | 180.0° | 180.0° |
| CL1 | CAR | CAT | OAC | 0.1° | 0.1° |
| CL1 | CAR | CAT | CAV | 179.8° | 180.0° |
| CL1 | CAR | CAM | H11 | 0.1° | 0.1° |
| CAR | CAM | CAX | H11 | 180.0° | 179.9° |
| CAM | CAR | CAT | OAC | 179.3° | 180.0° |
| CAM | CAR | CAT | CAV | 0.6° | 0.1° |
| CAR | CAM | CAX | OAP | 179.9° | 180.0° |
| CAR | CAM | CAX | CBA | 0.7° | 0.0° |
| CAT | CAR | CAM | CAX | 0.8° | 0.1° |
| CAR | CAT | OAC | CAV | 180.0° | 179.9° |
| CAR | CAT | CAV | CBA | 0.4° | 0.1° |
| CAR | CAT | CAV | CL2 | 179.1° | 179.9° |
| CAT | CAR | CAM | H11 | 179.3° | 180.0° |
| CAR | CAT | OAC | H13 | 180.0° | 90.0° |
| CAM | CAX | OAP | CBA | 179.5° | 180.0° |
| CAM | CAX | OAP | CAZ | 179.3° | 180.0° |
| CAM | CAX | CBA | CAV | 0.4° | 0.0° |
| CAM | CAX | CBA | CAY | 179.3° | 180.0° |
| OAC | CAT | CAV | CBA | 179.6° | 180.0° |
| OAC | CAT | CAV | CL2 | 0.9° | 0.0° |
| CAT | CAV | CBA | CAX | 0.2° | 0.0° |
| CAT | CAV | CBA | CL2 | 178.6° | 180.0° |
| CAT | CAV | CBA | CAY | 179.3° | 180.0° |
| CAV | CAT | OAC | H13 | 0.0° | 90.1° |
| CAI | CAK | CAU | H9 | 180.0° | 179.7° |
| CAI | CAK | CAU | OAO | 179.0° | 180.0° |
| CAK | CAI | CAS | H7 | 180.0° | 179.9° |
| CAI | CAK | CAU | CAJ | 0.0° | 0.3° |
| CAK | CAI | CAS | NAN | 179.8° | 180.0° |
| CAK | CAI | CAS | CAH | 1.4° | 0.0° |
| CAK | CAU | OAO | CAJ | 179.0° | 179.7° |
| CAK | CAU | OAO | CAA | 178.9° | 180.0° |
| CAU | CAK | CAI | CAS | 1.0° | 0.3° |
| CAK | CAU | CAJ | CAH | 0.6° | 0.0° |
| CAU | CAK | CAI | H7 | 179.0° | 179.8° |
| CAK | CAU | CAJ | H8 | 179.4° | 180.0° |
| OAP | CAX | CBA | CAV | 180.0° | 180.0° |
| OAP | CAX | CBA | CAY | 0.3° | 0.0° |
| CAX | OAP | CAZ | CAY | 0.2° | 0.0° |
| CAX | OAP | CAZ | CAW | 179.3° | 179.7° |
| OAP | CAX | CAM | H11 | 0.1° | 0.1° |
| CBA | CAX | OAP | CAZ | 0.3° | 0.0° |
| CAX | CBA | CAV | CAY | 179.6° | 180.0° |
| CAX | CBA | CAV | CL2 | 178.8° | 180.0° |
| CAX | CBA | CAY | CAZ | 0.2° | 0.0° |
| CAX | CBA | CAY | CAL | 179.9° | 179.9° |
| CBA | CAX | CAM | H11 | 179.4° | 179.9° |
| OAO | CAU | CAJ | CAH | 179.6° | 179.6° |
| CAU | OAO | CAA | H1 | 180.0° | 180.0° |
| CAU | OAO | CAA | H2 | 60.0° | 60.0° |
| CAU | OAO | CAA | H3 | 60.0° | 60.0° |
| OAO | CAU | CAJ | H8 | 0.4° | 0.3° |
| OAO | CAU | CAK | H9 | 1.0° | 0.3° |
| CAA | OAO | CAU | CAJ | 0.2° | 0.3° |
| OAO | CAA | H1 | H2 | 120.0° | 120.0° |
| OAO | CAA | H1 | H3 | 120.0° | 120.0° |
| OAO | CAA | H2 | H3 | 120.0° | 120.0° |
| OAP | CAZ | CAY | CBA | 0.0° | 0.0° |
| OAP | CAZ | CAY | CAW | 179.2° | 179.8° |
| OAP | CAZ | CAW | CAF | 3.0° | 0.0° |
| OAP | CAZ | CAY | CAL | 180.0° | 179.9° |
| OAP | CAZ | CAW | CAQ | 179.6° | 180.0° |
| CAI | CAS | NAN | CAF | 0.1° | 135.0° |
| CAI | CAS | NAN | CAH | 178.8° | 179.9° |
| CAI | CAS | CAH | CAJ | 0.8° | 0.4° |
| CAI | CAS | CAH | H6 | 179.2° | 180.0° |
| CAS | CAI | CAK | H9 | 179.0° | 180.0° |
| CAU | CAJ | CAH | CAS | 0.2° | 0.4° |
| CAU | CAJ | CAH | H8 | 180.0° | 180.0° |
| CAU | CAJ | CAH | H6 | 179.8° | 180.0° |
| CAJ | CAU | CAK | H9 | 180.0° | 180.0° |
| CAV | CBA | CAY | CAZ | 179.8° | 180.0° |
| CAV | CBA | CAY | CAL | 0.3° | 0.0° |
| CL2 | CAV | CBA | CAY | 0.7° | 0.0° |
| CBA | CAY | CAZ | CAL | 179.9° | 180.0° |
| CBA | CAY | CAZ | CAW | 179.2° | 179.7° |
| CBA | CAY | CAL | CAG | 179.6° | 180.0° |
| CBA | CAY | CAL | H10 | 0.4° | 0.0° |
| CAY | CAZ | CAW | CAF | 177.9° | 179.7° |
| CAY | CAZ | CAW | CAQ | 1.4° | 0.3° |
| CAZ | CAY | CAL | CAG | 0.3° | 0.1° |
| CAZ | CAY | CAL | H10 | 179.7° | 180.0° |
| CAZ | CAW | CAF | CAQ | 176.3° | 180.0° |
| CAZ | CAW | CAF | NAN | 176.6° | 180.0° |
| CAW | CAZ | CAY | CAL | 0.8° | 0.3° |
| CAZ | CAW | CAQ | CAG | 1.6° | 0.0° |
| CAZ | CAW | CAQ | OAB | 179.8° | 180.0° |
| CAZ | CAW | CAF | H4 | 3.4° | 0.0° |
| CAW | CAF | NAN | H4 | 180.0° | 180.0° |
| CAW | CAF | NAN | CAS | 180.0° | 180.0° |
| CAF | CAW | CAQ | CAG | 177.8° | 179.9° |
| CAF | CAW | CAQ | OAB | 3.6° | 0.0° |
| CAF | NAN | CAS | CAH | 178.9° | 45.1° |
| NAN | CAF | CAW | CAQ | 0.3° | 0.0° |
| NAN | CAS | CAH | CAJ | 179.6° | 179.7° |
| CAS | NAN | CAF | H4 | 0.1° | 0.0° |
| NAN | CAS | CAH | H6 | 0.4° | 0.1° |
| NAN | CAS | CAI | H7 | 0.2° | 0.0° |
| CAS | CAH | CAJ | H6 | 180.0° | 179.7° |
| CAH | CAS | CAI | H7 | 178.6° | 179.9° |
| CAS | CAH | CAJ | H8 | 179.8° | 179.7° |
| CAY | CAL | CAG | H10 | 180.0° | 180.0° |
| CAY | CAL | CAG | CAQ | 0.6° | 0.2° |
| CAY | CAL | CAG | H5 | 179.4° | 180.0° |
| CAW | CAQ | CAG | CAL | 1.2° | 0.2° |
| CAW | CAQ | CAG | OAB | 178.6° | 180.0° |
| CAQ | CAW | CAF | H4 | 179.7° | 180.0° |
| CAW | CAQ | CAG | H5 | 178.8° | 180.0° |
| CAW | CAQ | OAB | H12 | 180.0° | 90.1° |
| CAL | CAG | CAQ | H5 | 180.0° | 179.8° |
| CAL | CAG | CAQ | OAB | 179.8° | 179.8° |
| CAQ | CAG | CAL | H10 | 179.4° | 179.8° |
| CAG | CAQ | OAB | H12 | 1.4° | 90.0° |
| OAB | CAQ | CAG | H5 | 0.3° | 0.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H5 | CAG | CAL | H10 | 0.5° | 0.0° |
| H6 | CAH | CAJ | H8 | 0.2° | 0.0° |
| H7 | CAI | CAK | H9 | 1.0° | 0.0° |
