KZQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | NAB | sing | 1.34Å | 1.36Å | Aromatic |
| CAA | CAE | doub | 1.38Å | 1.43Å | Aromatic |
| CAA | HAA | sing | 1.08Å | 1.08Å | |
| NAB | NAC | sing | 1.40Å | 1.30Å | Aromatic |
| NAC | CAD | doub | 1.32Å | 1.34Å | Aromatic |
| CAE | CAD | sing | 1.47Å | 1.38Å | Aromatic |
| CAD | CAF | sing | 1.41Å | 1.35Å | Aromatic |
| CAI | CAE | sing | 1.41Å | 1.40Å | Aromatic |
| CAG | CAF | doub | 1.36Å | 1.38Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAH | CAG | sing | 1.40Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAI | CAH | doub | 1.36Å | 1.39Å | Aromatic |
| CAH | NAJ | sing | 1.40Å | 1.37Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| NAJ | CAK | sing | 1.35Å | 1.38Å | |
| NAJ | HNAJ | sing | 0.97Å | 1.00Å | |
| CAM | CAK | sing | 1.42Å | 1.49Å | |
| CAK | OAL | doub | 1.22Å | 1.23Å | |
| CAR | CAM | sing | 1.52Å | 1.47Å | |
| CAM | CAN | doub | 1.35Å | 1.39Å | |
| NAO | HNAO | sing | 0.97Å | 1.00Å | |
| NAO | CAN | sing | 1.37Å | 1.34Å | |
| CAN | CAS | sing | 1.51Å | 1.51Å | |
| CAP | NAO | sing | 1.34Å | 1.34Å | |
| NAQ | CAP | sing | 1.35Å | 1.34Å | |
| OAT | CAP | doub | 1.22Å | 1.25Å | |
| CAR | NAQ | sing | 1.47Å | 1.46Å | |
| NAQ | HNAQ | sing | 0.97Å | 1.00Å | |
| CAU | CAR | sing | 1.51Å | 1.49Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| CAS | HAS | sing | 1.09Å | 1.10Å | |
| CAS | HASA | sing | 1.09Å | 1.10Å | |
| CAS | HASB | sing | 1.09Å | 1.10Å | |
| CAV | CAU | doub | 1.38Å | 1.40Å | Aromatic |
| CAU | CAZ | sing | 1.38Å | 1.41Å | Aromatic |
| CAW | CAV | sing | 1.38Å | 1.39Å | Aromatic |
| CAV | HAV | sing | 1.08Å | 1.08Å | |
| CAW | CAX | doub | 1.38Å | 1.38Å | Aromatic |
| CAW | HAW | sing | 1.08Å | 1.08Å | |
| FBA | CAX | sing | 1.35Å | 1.33Å | |
| CAX | CAY | sing | 1.38Å | 1.39Å | Aromatic |
| CAY | CAZ | doub | 1.38Å | 1.39Å | Aromatic |
| CAY | HAY | sing | 1.08Å | 1.08Å | |
| CAZ | HAZ | sing | 1.08Å | 1.08Å | |
| NAB | HNAB | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAB | CAA | CAE | 105.6° | 107.9° |
| NAB | CAA | HAA | 127.2° | 126.0° |
| CAA | NAB | NAC | 110.0° | 110.0° |
| CAA | NAB | HNAB | 125.0° | 125.1° |
| CAE | CAA | HAA | 127.2° | 126.1° |
| CAA | CAE | CAD | 106.0° | 106.5° |
| CAA | CAE | CAI | 131.1° | 134.7° |
| NAB | NAC | CAD | 110.7° | 108.9° |
| NAC | NAB | HNAB | 125.0° | 125.0° |
| NAC | CAD | CAE | 107.7° | 106.8° |
| NAC | CAD | CAF | 132.1° | 134.6° |
| CAE | CAD | CAF | 120.2° | 118.6° |
| CAD | CAE | CAI | 122.9° | 118.9° |
| CAD | CAF | CAG | 117.6° | 119.7° |
| CAD | CAF | HAF | 121.2° | 120.1° |
| CAE | CAI | CAH | 117.3° | 119.5° |
| CAE | CAI | HAI | 121.4° | 120.3° |
| CAG | CAF | HAF | 121.2° | 120.2° |
| CAF | CAG | CAH | 124.1° | 121.8° |
| CAF | CAG | HAG | 118.0° | 119.1° |
| CAH | CAG | HAG | 117.9° | 119.1° |
| CAG | CAH | CAI | 117.9° | 121.5° |
| CAG | CAH | NAJ | 119.9° | 119.2° |
| CAI | CAH | NAJ | 122.1° | 119.2° |
| CAH | CAI | HAI | 121.4° | 120.2° |
| CAH | NAJ | CAK | 126.5° | 120.0° |
| CAH | NAJ | HNAJ | 116.8° | 120.0° |
| CAK | NAJ | HNAJ | 116.7° | 120.0° |
| NAJ | CAK | CAM | 116.8° | 120.0° |
| NAJ | CAK | OAL | 129.1° | 120.0° |
| CAM | CAK | OAL | 114.1° | 120.0° |
| CAK | CAM | CAR | 118.9° | 121.2° |
| CAK | CAM | CAN | 119.6° | 121.1° |
| CAR | CAM | CAN | 121.5° | 117.7° |
| CAM | CAR | NAQ | 112.0° | 117.0° |
| CAM | CAR | CAU | 101.6° | 107.9° |
| CAM | CAR | HAR | 110.6° | 107.9° |
| CAM | CAN | NAO | 120.7° | 121.1° |
| CAM | CAN | CAS | 120.5° | 119.4° |
| HNAO | NAO | CAN | 119.5° | 118.2° |
| HNAO | NAO | CAP | 119.4° | 118.2° |
| NAO | CAN | CAS | 118.8° | 119.5° |
| CAN | NAO | CAP | 121.1° | 123.6° |
| CAN | CAS | HAS | 109.5° | 109.5° |
| CAN | CAS | HASA | 109.4° | 109.5° |
| CAN | CAS | HASB | 109.5° | 109.4° |
| NAO | CAP | NAQ | 122.3° | 122.2° |
| NAO | CAP | OAT | 118.9° | 118.9° |
| NAQ | CAP | OAT | 118.8° | 118.9° |
| CAP | NAQ | CAR | 122.4° | 118.4° |
| CAP | NAQ | HNAQ | 118.8° | 120.8° |
| CAR | NAQ | HNAQ | 118.8° | 120.8° |
| NAQ | CAR | CAU | 111.3° | 108.1° |
| NAQ | CAR | HAR | 110.8° | 107.8° |
| CAU | CAR | HAR | 110.3° | 107.8° |
| CAR | CAU | CAV | 119.6° | 120.0° |
| CAR | CAU | CAZ | 121.1° | 120.0° |
| HAS | CAS | HASA | 109.5° | 109.5° |
| HAS | CAS | HASB | 109.4° | 109.5° |
| HASA | CAS | HASB | 109.5° | 109.5° |
| CAV | CAU | CAZ | 119.2° | 120.0° |
| CAU | CAV | CAW | 120.4° | 120.0° |
| CAU | CAV | HAV | 119.8° | 120.0° |
| CAU | CAZ | CAY | 120.1° | 120.0° |
| CAU | CAZ | HAZ | 120.0° | 120.0° |
| CAW | CAV | HAV | 119.8° | 120.1° |
| CAV | CAW | CAX | 119.6° | 120.0° |
| CAV | CAW | HAW | 120.2° | 119.9° |
| CAX | CAW | HAW | 120.2° | 120.0° |
| CAW | CAX | FBA | 118.7° | 120.0° |
| CAW | CAX | CAY | 121.2° | 119.9° |
| FBA | CAX | CAY | 120.1° | 120.1° |
| CAX | CAY | CAZ | 119.5° | 120.0° |
| CAX | CAY | HAY | 120.2° | 120.0° |
| CAZ | CAY | HAY | 120.2° | 120.0° |
| CAY | CAZ | HAZ | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAB | CAA | CAE | HAA | 180.0° | 179.7° |
| CAA | NAB | NAC | HNAB | 180.0° | 179.9° |
| CAA | NAB | NAC | CAD | 0.4° | 0.0° |
| NAB | CAA | CAE | CAD | 0.4° | 0.0° |
| NAB | CAA | CAE | CAI | 178.3° | 180.0° |
| CAE | CAA | NAB | NAC | 0.5° | 0.0° |
| CAA | CAE | CAD | NAC | 0.2° | 0.0° |
| CAA | CAE | CAD | CAI | 178.9° | 180.0° |
| CAA | CAE | CAD | CAF | 179.4° | 180.0° |
| CAA | CAE | CAI | CAH | 179.9° | 179.9° |
| CAA | CAE | CAI | HAI | 0.1° | 0.0° |
| CAE | CAA | NAB | HNAB | 179.5° | 180.0° |
| HAA | CAA | NAB | NAC | 179.5° | 179.7° |
| HAA | CAA | CAE | CAD | 179.6° | 179.7° |
| HAA | CAA | CAE | CAI | 1.7° | 0.3° |
| HAA | CAA | NAB | HNAB | 0.5° | 0.3° |
| NAB | NAC | CAD | CAE | 0.1° | 0.0° |
| NAB | NAC | CAD | CAF | 179.0° | 180.0° |
| NAC | CAD | CAE | CAF | 179.2° | 180.0° |
| NAC | CAD | CAE | CAI | 178.7° | 180.0° |
| NAC | CAD | CAF | CAG | 179.2° | 180.0° |
| NAC | CAD | CAF | HAF | 0.7° | 0.0° |
| CAD | NAC | NAB | HNAB | 179.6° | 180.0° |
| CAE | CAD | CAF | CAG | 0.2° | 0.0° |
| CAE | CAD | CAF | HAF | 179.7° | 180.0° |
| CAD | CAE | CAI | CAH | 1.5° | 0.1° |
| CAD | CAE | CAI | HAI | 178.4° | 180.0° |
| CAF | CAD | CAE | CAI | 0.5° | 0.0° |
| CAD | CAF | CAG | HAF | 180.0° | 180.0° |
| CAD | CAF | CAG | CAH | 0.1° | 0.0° |
| CAD | CAF | CAG | HAG | 179.9° | 179.9° |
| CAE | CAI | CAH | CAG | 1.8° | 0.1° |
| CAE | CAI | CAH | HAI | 180.0° | 179.9° |
| CAE | CAI | CAH | NAJ | 178.9° | 180.0° |
| CAF | CAG | CAH | HAG | 180.0° | 180.0° |
| CAF | CAG | CAH | CAI | 1.1° | 0.1° |
| CAF | CAG | CAH | NAJ | 178.3° | 180.0° |
| HAF | CAF | CAG | CAH | 179.9° | 179.9° |
| HAF | CAF | CAG | HAG | 0.1° | 0.1° |
| CAG | CAH | CAI | NAJ | 177.1° | 179.9° |
| CAG | CAH | CAI | HAI | 178.2° | 179.9° |
| CAG | CAH | NAJ | CAK | 1.6° | 36.9° |
| CAG | CAH | NAJ | HNAJ | 178.4° | 143.1° |
| HAG | CAG | CAH | CAI | 178.9° | 179.9° |
| HAG | CAG | CAH | NAJ | 1.7° | 0.0° |
| CAI | CAH | NAJ | CAK | 175.4° | 143.2° |
| CAI | CAH | NAJ | HNAJ | 4.6° | 36.7° |
| NAJ | CAH | CAI | HAI | 1.1° | 0.1° |
| CAH | NAJ | CAK | HNAJ | 180.0° | 180.0° |
| CAH | NAJ | CAK | CAM | 176.9° | 171.5° |
| CAH | NAJ | CAK | OAL | 1.7° | 8.5° |
| NAJ | CAK | CAM | OAL | 178.8° | 180.0° |
| NAJ | CAK | CAM | CAR | 59.2° | 100.7° |
| NAJ | CAK | CAM | CAN | 123.1° | 79.1° |
| HNAJ | NAJ | CAK | CAM | 3.1° | 8.4° |
| HNAJ | NAJ | CAK | OAL | 178.3° | 171.6° |
| CAK | CAM | CAR | CAN | 177.7° | 179.7° |
| CAK | CAM | CAN | NAO | 179.5° | 180.0° |
| CAK | CAM | CAN | CAS | 0.1° | 0.0° |
| CAK | CAM | CAR | NAQ | 178.7° | 179.8° |
| CAK | CAM | CAR | CAU | 62.4° | 58.1° |
| CAK | CAM | CAR | HAR | 54.7° | 58.1° |
| OAL | CAK | CAM | CAR | 122.0° | 79.3° |
| OAL | CAK | CAM | CAN | 55.8° | 100.9° |
| CAR | CAM | CAN | NAO | 2.8° | 0.2° |
| CAR | CAM | CAN | CAS | 177.8° | 179.7° |
| CAM | CAR | NAQ | CAP | 2.9° | 0.4° |
| CAM | CAR | NAQ | CAU | 113.0° | 122.0° |
| CAM | CAR | NAQ | HAR | 123.9° | 121.7° |
| CAM | CAR | NAQ | HNAQ | 177.1° | 179.8° |
| CAM | CAR | CAU | HAR | 117.3° | 116.3° |
| CAM | CAR | CAU | CAV | 131.3° | 74.2° |
| CAM | CAR | CAU | CAZ | 46.3° | 105.6° |
| CAM | CAN | NAO | HNAO | 179.2° | 180.0° |
| CAM | CAN | NAO | CAS | 179.4° | 180.0° |
| CAM | CAN | NAO | CAP | 0.8° | 0.0° |
| CAN | CAM | CAR | NAQ | 3.7° | 0.5° |
| CAN | CAM | CAR | CAU | 115.2° | 121.7° |
| CAN | CAM | CAR | HAR | 127.7° | 122.1° |
| CAM | CAN | CAS | HAS | 180.0° | 84.6° |
| CAM | CAN | CAS | HASA | 60.0° | 155.4° |
| CAM | CAN | CAS | HASB | 60.0° | 35.4° |
| HNAO | NAO | CAN | CAP | 180.0° | 179.9° |
| HNAO | NAO | CAN | CAS | 0.2° | 0.1° |
| HNAO | NAO | CAP | NAQ | 180.0° | 180.0° |
| HNAO | NAO | CAP | OAT | 0.1° | 0.1° |
| CAN | NAO | CAP | NAQ | 0.0° | 0.1° |
| CAN | NAO | CAP | OAT | 179.9° | 180.0° |
| NAO | CAN | CAS | HAS | 0.6° | 95.4° |
| NAO | CAN | CAS | HASA | 119.4° | 24.6° |
| NAO | CAN | CAS | HASB | 120.6° | 144.7° |
| CAS | CAN | NAO | CAP | 179.8° | 180.0° |
| CAN | CAS | HAS | HASA | 120.0° | 120.0° |
| CAN | CAS | HAS | HASB | 120.0° | 120.0° |
| CAN | CAS | HASA | HASB | 120.0° | 120.0° |
| NAO | CAP | NAQ | OAT | 179.9° | 179.9° |
| NAO | CAP | NAQ | CAR | 1.3° | 0.2° |
| NAO | CAP | NAQ | HNAQ | 178.7° | 180.0° |
| CAP | NAQ | CAR | HNAQ | 180.0° | 179.8° |
| CAP | NAQ | CAR | CAU | 110.1° | 121.6° |
| CAP | NAQ | CAR | HAR | 126.8° | 122.1° |
| OAT | CAP | NAQ | CAR | 178.7° | 179.7° |
| OAT | CAP | NAQ | HNAQ | 1.4° | 0.0° |
| NAQ | CAR | CAU | HAR | 123.4° | 116.3° |
| NAQ | CAR | CAU | CAV | 109.3° | 53.3° |
| NAQ | CAR | CAU | CAZ | 73.0° | 127.0° |
| HNAQ | NAQ | CAR | CAU | 70.0° | 58.2° |
| HNAQ | NAQ | CAR | HAR | 53.1° | 58.1° |
| CAR | CAU | CAV | CAZ | 177.7° | 179.8° |
| CAR | CAU | CAV | CAW | 178.6° | 180.0° |
| CAR | CAU | CAV | HAV | 1.4° | 0.0° |
| CAR | CAU | CAZ | CAY | 178.0° | 179.8° |
| CAR | CAU | CAZ | HAZ | 2.0° | 0.0° |
| HAR | CAR | CAU | CAV | 14.0° | 169.6° |
| HAR | CAR | CAU | CAZ | 163.6° | 10.7° |
| HAS | CAS | HASA | HASB | 120.0° | 120.0° |
| CAU | CAV | CAW | HAV | 180.0° | 180.0° |
| CAU | CAV | CAW | CAX | 0.9° | 0.0° |
| CAU | CAV | CAW | HAW | 179.1° | 180.0° |
| CAV | CAU | CAZ | CAY | 0.3° | 0.5° |
| CAV | CAU | CAZ | HAZ | 179.7° | 179.7° |
| CAZ | CAU | CAV | CAW | 0.9° | 0.2° |
| CAZ | CAU | CAV | HAV | 179.1° | 179.7° |
| CAU | CAZ | CAY | CAX | 0.2° | 0.5° |
| CAU | CAZ | CAY | HAZ | 180.0° | 179.8° |
| CAU | CAZ | CAY | HAY | 179.8° | 179.7° |
| CAV | CAW | CAX | HAW | 180.0° | 180.0° |
| CAV | CAW | CAX | FBA | 179.1° | 180.0° |
| CAV | CAW | CAX | CAY | 0.3° | 0.0° |
| HAV | CAV | CAW | CAX | 179.1° | 180.0° |
| HAV | CAV | CAW | HAW | 0.9° | 0.1° |
| CAW | CAX | FBA | CAY | 178.8° | 180.0° |
| CAW | CAX | CAY | CAZ | 0.2° | 0.3° |
| CAW | CAX | CAY | HAY | 179.8° | 180.0° |
| HAW | CAW | CAX | FBA | 0.9° | 0.0° |
| HAW | CAW | CAX | CAY | 179.7° | 180.0° |
| FBA | CAX | CAY | CAZ | 178.5° | 179.8° |
| FBA | CAX | CAY | HAY | 1.5° | 0.0° |
| CAX | CAY | CAZ | HAY | 180.0° | 179.8° |
| CAX | CAY | CAZ | HAZ | 179.8° | 179.7° |
| HAY | CAY | CAZ | HAZ | 0.2° | 0.1° |
