CQ0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAF | CAA | doub | 1.38Å | 1.40Å | Aromatic |
| CAA | CAB | sing | 1.38Å | 1.41Å | Aromatic |
| CAA | HAA | sing | 1.08Å | 1.08Å | |
| CAC | CAB | doub | 1.40Å | 1.39Å | Aromatic |
| CAB | CAQ | sing | 1.51Å | 1.52Å | |
| CAD | CAC | sing | 1.39Å | 1.41Å | Aromatic |
| CAC | CAG | sing | 1.48Å | 1.41Å | Aromatic |
| CAE | CAD | doub | 1.39Å | 1.39Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAR | CAE | sing | 1.48Å | 1.55Å | |
| CAE | CAF | sing | 1.40Å | 1.41Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAH | CAG | doub | 1.38Å | 1.42Å | Aromatic |
| CAG | CAL | sing | 1.42Å | 1.40Å | Aromatic |
| CAH | CAI | sing | 1.41Å | 1.39Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| NAM | CAI | doub | 1.32Å | 1.36Å | Aromatic |
| CAI | NAJ | sing | 1.37Å | 1.39Å | Aromatic |
| CAO | NAJ | sing | 1.36Å | 1.45Å | Aromatic |
| NAJ | CAK | sing | 1.36Å | 1.46Å | Aromatic |
| CAL | CAK | doub | 1.35Å | 1.39Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| NAM | NAN | sing | 1.29Å | 1.27Å | Aromatic |
| NAN | CAO | doub | 1.31Å | 1.36Å | Aromatic |
| CAO | CAP | sing | 1.51Å | 1.58Å | |
| CAZ | CAP | sing | 1.53Å | 1.57Å | |
| CAX | CAP | sing | 1.53Å | 1.50Å | |
| CAP | CAY | sing | 1.53Å | 1.52Å | |
| CAQ | HAQ | sing | 1.09Å | 1.10Å | |
| CAQ | HAQA | sing | 1.09Å | 1.10Å | |
| CAQ | HAQB | sing | 1.09Å | 1.10Å | |
| OAW | CAR | doub | 1.22Å | 1.22Å | |
| NAS | CAR | sing | 1.35Å | 1.35Å | |
| CAT | NAS | sing | 1.47Å | 1.46Å | |
| NAS | HNAS | sing | 0.97Å | 1.00Å | |
| CAU | CAT | sing | 1.53Å | 1.50Å | |
| CAV | CAT | sing | 1.53Å | 1.52Å | |
| CAT | HAT | sing | 1.09Å | 1.10Å | |
| CAU | CAV | sing | 1.53Å | 1.52Å | |
| CAU | HAU | sing | 1.09Å | 1.10Å | |
| CAU | HAUA | sing | 1.09Å | 1.10Å | |
| CAV | HAV | sing | 1.09Å | 1.10Å | |
| CAV | HAVA | sing | 1.09Å | 1.10Å | |
| CAX | HAX | sing | 1.09Å | 1.10Å | |
| CAX | HAXA | sing | 1.09Å | 1.10Å | |
| CAX | HAXB | sing | 1.09Å | 1.10Å | |
| CAY | HAY | sing | 1.09Å | 1.10Å | |
| CAY | HAYA | sing | 1.09Å | 1.10Å | |
| CAY | HAYB | sing | 1.09Å | 1.10Å | |
| CAZ | HAZ | sing | 1.09Å | 1.10Å | |
| CAZ | HAZA | sing | 1.09Å | 1.10Å | |
| CAZ | HAZB | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAF | CAA | CAB | 121.4° | 120.2° |
| CAF | CAA | HAA | 119.3° | 119.9° |
| CAA | CAF | CAE | 120.5° | 120.1° |
| CAA | CAF | HAF | 119.8° | 119.9° |
| CAB | CAA | HAA | 119.3° | 119.9° |
| CAA | CAB | CAC | 118.8° | 120.2° |
| CAA | CAB | CAQ | 120.6° | 119.9° |
| CAC | CAB | CAQ | 120.6° | 119.9° |
| CAB | CAC | CAD | 119.0° | 119.9° |
| CAB | CAC | CAG | 128.3° | 120.0° |
| CAB | CAQ | HAQ | 109.5° | 109.5° |
| CAB | CAQ | HAQA | 109.5° | 109.5° |
| CAB | CAQ | HAQB | 109.5° | 109.5° |
| CAD | CAC | CAG | 112.6° | 120.1° |
| CAC | CAD | CAE | 123.1° | 119.8° |
| CAC | CAD | HAD | 118.5° | 120.1° |
| CAC | CAG | CAH | 121.1° | 120.3° |
| CAC | CAG | CAL | 117.0° | 120.3° |
| CAE | CAD | HAD | 118.5° | 120.2° |
| CAD | CAE | CAR | 117.4° | 120.1° |
| CAD | CAE | CAF | 117.2° | 119.8° |
| CAR | CAE | CAF | 125.4° | 120.1° |
| CAE | CAR | OAW | 119.0° | 120.0° |
| CAE | CAR | NAS | 118.6° | 120.0° |
| CAE | CAF | HAF | 119.8° | 120.0° |
| CAH | CAG | CAL | 121.8° | 119.4° |
| CAG | CAH | CAI | 119.4° | 119.0° |
| CAG | CAH | HAH | 120.3° | 120.5° |
| CAG | CAL | CAK | 120.0° | 120.2° |
| CAG | CAL | HAL | 120.0° | 119.9° |
| CAI | CAH | HAH | 120.3° | 120.5° |
| CAH | CAI | NAM | 133.7° | 133.3° |
| CAH | CAI | NAJ | 119.2° | 119.8° |
| NAM | CAI | NAJ | 107.1° | 106.9° |
| CAI | NAM | NAN | 111.9° | 109.4° |
| CAI | NAJ | CAO | 104.5° | 105.8° |
| CAI | NAJ | CAK | 122.2° | 120.8° |
| CAO | NAJ | CAK | 133.1° | 133.4° |
| NAJ | CAO | NAN | 106.3° | 107.5° |
| NAJ | CAO | CAP | 126.4° | 126.2° |
| NAJ | CAK | CAL | 117.3° | 120.8° |
| NAJ | CAK | HAK | 121.3° | 119.6° |
| CAL | CAK | HAK | 121.4° | 119.5° |
| CAK | CAL | HAL | 120.0° | 119.9° |
| NAM | NAN | CAO | 110.1° | 110.3° |
| NAN | CAO | CAP | 127.2° | 126.2° |
| CAO | CAP | CAZ | 109.0° | 109.4° |
| CAO | CAP | CAX | 110.5° | 109.4° |
| CAO | CAP | CAY | 110.7° | 109.5° |
| CAZ | CAP | CAX | 104.7° | 109.5° |
| CAZ | CAP | CAY | 111.4° | 109.5° |
| CAP | CAZ | HAZ | 109.5° | 109.5° |
| CAP | CAZ | HAZA | 109.5° | 109.4° |
| CAP | CAZ | HAZB | 109.4° | 109.5° |
| CAX | CAP | CAY | 110.4° | 109.5° |
| CAP | CAX | HAX | 109.5° | 109.5° |
| CAP | CAX | HAXA | 109.5° | 109.5° |
| CAP | CAX | HAXB | 109.5° | 109.5° |
| CAP | CAY | HAY | 109.5° | 109.5° |
| CAP | CAY | HAYA | 109.5° | 109.5° |
| CAP | CAY | HAYB | 109.4° | 109.5° |
| HAQ | CAQ | HAQA | 109.4° | 109.5° |
| HAQ | CAQ | HAQB | 109.5° | 109.5° |
| HAQA | CAQ | HAQB | 109.5° | 109.4° |
| OAW | CAR | NAS | 122.4° | 120.0° |
| CAR | NAS | CAT | 123.7° | 120.0° |
| CAR | NAS | HNAS | 118.2° | 120.0° |
| CAT | NAS | HNAS | 118.2° | 120.0° |
| NAS | CAT | CAU | 113.3° | 117.5° |
| NAS | CAT | CAV | 115.9° | 117.5° |
| NAS | CAT | HAT | 96.3° | 115.6° |
| CAU | CAT | CAV | 60.6° | 60.0° |
| CAU | CAT | HAT | 136.0° | 117.5° |
| CAT | CAU | CAV | 60.5° | 60.0° |
| CAT | CAU | HAU | 130.6° | 117.5° |
| CAT | CAU | HAUA | 130.6° | 117.5° |
| CAV | CAT | HAT | 133.8° | 117.5° |
| CAT | CAV | CAU | 58.9° | 60.0° |
| CAT | CAV | HAV | 131.5° | 117.4° |
| CAT | CAV | HAVA | 131.6° | 117.5° |
| CAV | CAU | HAU | 130.6° | 117.5° |
| CAV | CAU | HAUA | 130.6° | 117.6° |
| CAU | CAV | HAV | 131.6° | 117.5° |
| CAU | CAV | HAVA | 131.5° | 117.5° |
| HAU | CAU | HAUA | 82.2° | 115.5° |
| HAV | CAV | HAVA | 80.8° | 115.6° |
| HAX | CAX | HAXA | 109.4° | 109.5° |
| HAX | CAX | HAXB | 109.5° | 109.4° |
| HAXA | CAX | HAXB | 109.5° | 109.5° |
| HAY | CAY | HAYA | 109.5° | 109.5° |
| HAY | CAY | HAYB | 109.5° | 109.4° |
| HAYA | CAY | HAYB | 109.5° | 109.5° |
| HAZ | CAZ | HAZA | 109.5° | 109.5° |
| HAZ | CAZ | HAZB | 109.5° | 109.5° |
| HAZA | CAZ | HAZB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAF | CAA | CAB | HAA | 180.0° | 179.6° |
| CAF | CAA | CAB | CAC | 1.3° | 0.4° |
| CAF | CAA | CAB | CAQ | 179.0° | 179.7° |
| CAA | CAF | CAE | CAD | 2.3° | 0.5° |
| CAA | CAF | CAE | CAR | 178.3° | 179.7° |
| CAA | CAF | CAE | HAF | 180.0° | 179.6° |
| CAA | CAB | CAC | CAQ | 179.7° | 179.9° |
| CAA | CAB | CAC | CAD | 2.3° | 0.1° |
| CAA | CAB | CAC | CAG | 177.8° | 180.0° |
| CAB | CAA | CAF | CAE | 3.6° | 0.5° |
| CAB | CAA | CAF | HAF | 176.4° | 179.9° |
| CAA | CAB | CAQ | HAQ | 90.2° | 90.1° |
| CAA | CAB | CAQ | HAQA | 149.9° | 150.0° |
| CAA | CAB | CAQ | HAQB | 29.9° | 30.0° |
| HAA | CAA | CAB | CAC | 178.7° | 180.0° |
| HAA | CAA | CAB | CAQ | 1.0° | 0.1° |
| HAA | CAA | CAF | CAE | 176.4° | 179.8° |
| HAA | CAA | CAF | HAF | 3.6° | 0.3° |
| CAB | CAC | CAD | CAG | 176.2° | 179.9° |
| CAB | CAC | CAD | CAE | 3.6° | 0.0° |
| CAB | CAC | CAD | HAD | 176.3° | 180.0° |
| CAB | CAC | CAG | CAH | 100.1° | 104.8° |
| CAB | CAC | CAG | CAL | 83.9° | 75.0° |
| CAC | CAB | CAQ | HAQ | 90.1° | 90.0° |
| CAC | CAB | CAQ | HAQA | 29.9° | 30.0° |
| CAC | CAB | CAQ | HAQB | 149.8° | 149.9° |
| CAQ | CAB | CAC | CAD | 177.5° | 180.0° |
| CAQ | CAB | CAC | CAG | 2.0° | 0.0° |
| CAB | CAQ | HAQ | HAQA | 120.0° | 120.0° |
| CAB | CAQ | HAQ | HAQB | 120.0° | 120.0° |
| CAB | CAQ | HAQA | HAQB | 120.0° | 120.0° |
| CAC | CAD | CAE | HAD | 180.0° | 180.0° |
| CAC | CAD | CAE | CAR | 178.1° | 180.0° |
| CAC | CAD | CAE | CAF | 1.3° | 0.2° |
| CAD | CAC | CAG | CAH | 84.2° | 75.3° |
| CAD | CAC | CAG | CAL | 91.9° | 105.0° |
| CAG | CAC | CAD | CAE | 179.8° | 180.0° |
| CAG | CAC | CAD | HAD | 0.2° | 0.0° |
| CAC | CAG | CAH | CAL | 175.9° | 179.7° |
| CAC | CAG | CAH | CAI | 177.9° | 180.0° |
| CAC | CAG | CAH | HAH | 2.1° | 0.1° |
| CAC | CAG | CAL | CAK | 177.5° | 179.8° |
| CAC | CAG | CAL | HAL | 2.5° | 0.0° |
| CAD | CAE | CAR | CAF | 179.4° | 179.8° |
| CAD | CAE | CAF | HAF | 177.7° | 180.0° |
| CAD | CAE | CAR | OAW | 26.2° | 0.0° |
| CAD | CAE | CAR | NAS | 154.1° | 180.0° |
| HAD | CAD | CAE | CAR | 1.9° | 0.0° |
| HAD | CAD | CAE | CAF | 178.6° | 179.8° |
| CAR | CAE | CAF | HAF | 1.7° | 0.2° |
| CAE | CAR | OAW | NAS | 179.8° | 180.0° |
| CAE | CAR | NAS | CAT | 179.8° | 180.0° |
| CAE | CAR | NAS | HNAS | 0.1° | 0.0° |
| CAF | CAE | CAR | OAW | 153.3° | 179.8° |
| CAF | CAE | CAR | NAS | 26.5° | 0.2° |
| CAG | CAH | CAI | HAH | 180.0° | 179.9° |
| CAG | CAH | CAI | NAM | 178.3° | 179.9° |
| CAG | CAH | CAI | NAJ | 0.5° | 0.0° |
| CAH | CAG | CAL | CAK | 1.5° | 0.5° |
| CAH | CAG | CAL | HAL | 178.6° | 179.7° |
| CAL | CAG | CAH | CAI | 2.0° | 0.3° |
| CAL | CAG | CAH | HAH | 178.0° | 179.8° |
| CAG | CAL | CAK | NAJ | 1.5° | 0.4° |
| CAG | CAL | CAK | HAL | 180.0° | 179.8° |
| CAG | CAL | CAK | HAK | 178.6° | 179.7° |
| CAH | CAI | NAM | NAJ | 178.0° | 179.9° |
| CAH | CAI | NAJ | CAO | 179.2° | 180.0° |
| CAH | CAI | NAJ | CAK | 3.6° | 0.1° |
| CAH | CAI | NAM | NAN | 178.5° | 180.0° |
| HAH | CAH | CAI | NAM | 1.7° | 0.0° |
| HAH | CAH | CAI | NAJ | 179.5° | 179.9° |
| NAM | CAI | NAJ | CAO | 2.5° | 0.0° |
| NAM | CAI | NAJ | CAK | 178.1° | 180.0° |
| CAI | NAM | NAN | CAO | 3.0° | 0.1° |
| CAI | NAJ | CAO | CAK | 174.9° | 180.0° |
| CAI | NAJ | CAK | CAL | 4.1° | 0.2° |
| CAI | NAJ | CAK | HAK | 176.0° | 180.0° |
| NAJ | CAI | NAM | NAN | 3.5° | 0.1° |
| CAI | NAJ | CAO | NAN | 0.8° | 0.0° |
| CAI | NAJ | CAO | CAP | 175.1° | 180.0° |
| CAO | NAJ | CAK | CAL | 178.2° | 179.8° |
| CAO | NAJ | CAK | HAK | 1.8° | 0.1° |
| NAJ | CAO | NAN | NAM | 1.3° | 0.0° |
| NAJ | CAO | NAN | CAP | 175.9° | 180.0° |
| NAJ | CAO | CAP | CAZ | 61.2° | 60.0° |
| NAJ | CAO | CAP | CAX | 175.8° | 60.0° |
| NAJ | CAO | CAP | CAY | 61.6° | 180.0° |
| NAJ | CAK | CAL | HAK | 180.0° | 179.8° |
| NAJ | CAK | CAL | HAL | 178.5° | 179.7° |
| CAK | NAJ | CAO | NAN | 175.7° | 180.0° |
| CAK | NAJ | CAO | CAP | 0.2° | 0.0° |
| HAK | CAK | CAL | HAL | 1.5° | 0.1° |
| NAM | NAN | CAO | CAP | 177.2° | 180.0° |
| NAN | CAO | CAP | CAZ | 113.9° | 120.0° |
| NAN | CAO | CAP | CAX | 0.7° | 120.1° |
| NAN | CAO | CAP | CAY | 123.2° | 0.0° |
| CAO | CAP | CAZ | CAX | 118.3° | 119.9° |
| CAO | CAP | CAZ | CAY | 122.4° | 120.0° |
| CAO | CAP | CAX | CAY | 122.7° | 120.0° |
| CAO | CAP | CAX | HAX | 180.0° | 60.0° |
| CAO | CAP | CAX | HAXA | 60.0° | 180.0° |
| CAO | CAP | CAX | HAXB | 60.0° | 60.0° |
| CAO | CAP | CAY | HAY | 180.0° | 60.0° |
| CAO | CAP | CAY | HAYA | 60.0° | 180.0° |
| CAO | CAP | CAY | HAYB | 60.0° | 60.0° |
| CAO | CAP | CAZ | HAZ | 180.0° | 60.0° |
| CAO | CAP | CAZ | HAZA | 60.0° | 180.0° |
| CAO | CAP | CAZ | HAZB | 60.0° | 60.0° |
| CAZ | CAP | CAX | CAY | 120.0° | 120.1° |
| CAZ | CAP | CAX | HAX | 62.8° | 180.0° |
| CAZ | CAP | CAX | HAXA | 177.2° | 60.0° |
| CAZ | CAP | CAX | HAXB | 57.3° | 60.0° |
| CAZ | CAP | CAY | HAY | 58.6° | 60.0° |
| CAZ | CAP | CAY | HAYA | 61.4° | 60.0° |
| CAZ | CAP | CAY | HAYB | 178.6° | 179.9° |
| CAP | CAZ | HAZ | HAZA | 120.0° | 120.0° |
| CAP | CAZ | HAZ | HAZB | 120.0° | 120.0° |
| CAP | CAZ | HAZA | HAZB | 120.0° | 120.0° |
| CAP | CAX | HAX | HAXA | 120.0° | 120.0° |
| CAP | CAX | HAX | HAXB | 120.0° | 120.1° |
| CAP | CAX | HAXA | HAXB | 120.0° | 120.1° |
| CAX | CAP | CAY | HAY | 57.3° | 180.0° |
| CAX | CAP | CAY | HAYA | 177.4° | 60.0° |
| CAX | CAP | CAY | HAYB | 62.7° | 60.0° |
| CAX | CAP | CAZ | HAZ | 61.7° | 60.0° |
| CAX | CAP | CAZ | HAZA | 58.3° | 60.1° |
| CAX | CAP | CAZ | HAZB | 178.3° | 180.0° |
| CAY | CAP | CAX | HAX | 57.3° | 60.0° |
| CAY | CAP | CAX | HAXA | 62.7° | 60.0° |
| CAY | CAP | CAX | HAXB | 177.3° | 180.0° |
| CAP | CAY | HAY | HAYA | 120.0° | 120.0° |
| CAP | CAY | HAY | HAYB | 120.0° | 120.0° |
| CAP | CAY | HAYA | HAYB | 120.0° | 120.0° |
| CAY | CAP | CAZ | HAZ | 57.6° | 180.0° |
| CAY | CAP | CAZ | HAZA | 177.6° | 60.0° |
| CAY | CAP | CAZ | HAZB | 62.4° | 60.0° |
| HAQ | CAQ | HAQA | HAQB | 120.0° | 120.1° |
| OAW | CAR | NAS | CAT | 0.4° | 0.0° |
| OAW | CAR | NAS | HNAS | 179.6° | 180.0° |
| CAR | NAS | CAT | HNAS | 180.0° | 180.0° |
| CAR | NAS | CAT | CAU | 57.8° | 155.1° |
| CAR | NAS | CAT | CAV | 125.2° | 136.3° |
| CAR | NAS | CAT | HAT | 88.9° | 9.4° |
| NAS | CAT | CAU | CAV | 107.6° | 107.5° |
| NAS | CAT | CAU | HAT | 128.2° | 145.0° |
| NAS | CAT | CAV | HAT | 129.4° | 145.0° |
| NAS | CAT | CAU | HAU | 132.4° | 145.0° |
| NAS | CAT | CAU | HAUA | 12.4° | 0.1° |
| NAS | CAT | CAV | HAV | 16.6° | 0.0° |
| NAS | CAT | CAV | HAVA | 136.6° | 145.0° |
| HNAS | NAS | CAT | CAU | 122.2° | 24.9° |
| HNAS | NAS | CAT | CAV | 54.8° | 43.8° |
| HNAS | NAS | CAT | HAT | 91.1° | 170.6° |
| CAU | CAT | CAV | HAT | 127.1° | 107.5° |
| CAT | CAU | CAV | HAU | 120.0° | 107.5° |
| CAT | CAU | CAV | HAUA | 120.0° | 107.5° |
| CAT | CAU | HAU | HAUA | 138.4° | 145.6° |
| CAT | CAU | CAV | HAV | 120.0° | 107.4° |
| CAT | CAU | CAV | HAVA | 120.0° | 107.5° |
| CAT | CAV | HAV | HAVA | 139.0° | 145.6° |
| HAT | CAT | CAU | HAU | 4.1° | 0.1° |
| HAT | CAT | CAU | HAUA | 115.8° | 145.0° |
| HAT | CAT | CAV | HAV | 112.8° | 145.0° |
| HAT | CAT | CAV | HAVA | 7.1° | 0.1° |
| CAV | CAU | HAU | HAUA | 138.4° | 145.7° |
| CAU | CAV | HAV | HAVA | 138.9° | 145.8° |
| HAU | CAU | CAV | HAV | 120.0° | 145.1° |
| HAU | CAU | CAV | HAVA | 0.0° | 0.0° |
| HAUA | CAU | CAV | HAV | 0.0° | 0.1° |
| HAUA | CAU | CAV | HAVA | 120.0° | 145.1° |
| HAX | CAX | HAXA | HAXB | 120.0° | 119.9° |
| HAY | CAY | HAYA | HAYB | 120.0° | 120.0° |
| HAZ | CAZ | HAZA | HAZB | 120.0° | 120.0° |
