9HQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CLA | CAB | sing | 1.74Å | 1.74Å | |
| CAB | CAG | doub | 1.38Å | 1.37Å | Aromatic |
| CAB | CAC | sing | 1.38Å | 1.35Å | Aromatic |
| CAG | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAC | CAD | doub | 1.38Å | 1.38Å | Aromatic |
| CAF | CAE | doub | 1.39Å | 1.38Å | Aromatic |
| CAD | CAE | sing | 1.39Å | 1.40Å | Aromatic |
| CAE | CAH | sing | 1.48Å | 1.52Å | |
| CBD | CBE | sing | 1.53Å | 1.49Å | |
| CBD | NAZ | sing | 1.47Å | 1.42Å | |
| NAZ | CAX | sing | 1.35Å | 1.37Å | |
| CAH | NAI | doub | 1.29Å | 1.25Å | |
| CAH | CAN | sing | 1.47Å | 1.51Å | |
| NAI | CAJ | sing | 1.47Å | 1.49Å | |
| OBA | CAX | doub | 1.21Å | 1.24Å | |
| CAR | CAN | doub | 1.40Å | 1.40Å | Aromatic |
| CAR | CAQ | sing | 1.37Å | 1.40Å | Aromatic |
| CAX | CAW | sing | 1.51Å | 1.48Å | |
| CAN | CAM | sing | 1.40Å | 1.40Å | Aromatic |
| CAQ | CAP | doub | 1.39Å | 1.36Å | Aromatic |
| CAJ | CAW | sing | 1.53Å | 1.53Å | |
| CAJ | CAK | sing | 1.51Å | 1.45Å | |
| CAW | CAY | sing | 1.53Å | 1.51Å | |
| CAM | NAL | sing | 1.40Å | 1.44Å | |
| CAM | CAO | doub | 1.39Å | 1.40Å | Aromatic |
| CAK | NAL | sing | 1.36Å | 1.39Å | Aromatic |
| CAK | NAS | doub | 1.30Å | 1.31Å | Aromatic |
| CAP | CAO | sing | 1.39Å | 1.41Å | Aromatic |
| CAP | OBB | sing | 1.36Å | 1.33Å | |
| NAL | CAU | sing | 1.36Å | 1.42Å | Aromatic |
| NAS | NAT | sing | 1.29Å | 1.36Å | Aromatic |
| CBC | OBB | sing | 1.43Å | 1.44Å | |
| CAU | NAT | doub | 1.31Å | 1.31Å | Aromatic |
| CAU | CAV | sing | 1.51Å | 1.43Å | |
| CBE | HBJ | sing | 1.09Å | 1.10Å | |
| CBE | HBI | sing | 1.09Å | 1.10Å | |
| CBE | HBH | sing | 1.09Å | 1.10Å | |
| CBD | HBG | sing | 1.09Å | 1.10Å | |
| CBD | HBF | sing | 1.09Å | 1.10Å | |
| NAZ | HBK | sing | 0.97Å | 1.00Å | |
| CAW | HAY | sing | 1.09Å | 1.10Å | |
| CAY | HA1 | sing | 1.09Å | 1.10Å | |
| CAY | HA0 | sing | 1.09Å | 1.10Å | |
| CAY | HAZ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAV | HAX | sing | 1.09Å | 1.10Å | |
| CAV | HAV | sing | 1.09Å | 1.10Å | |
| CAV | HAW | sing | 1.09Å | 1.10Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CBC | HBC | sing | 1.09Å | 1.10Å | |
| CBC | HBD | sing | 1.09Å | 1.10Å | |
| CBC | HBE | sing | 1.09Å | 1.10Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CLA | CAB | CAG | 117.8° | 119.9° |
| CLA | CAB | CAC | 118.8° | 119.8° |
| CAG | CAB | CAC | 123.3° | 120.2° |
| CAB | CAG | CAF | 117.6° | 120.2° |
| CAB | CAG | HAG | 121.2° | 119.9° |
| CAB | CAC | CAD | 118.2° | 120.1° |
| CAB | CAC | HAC | 120.9° | 119.9° |
| CAG | CAF | CAE | 121.9° | 119.9° |
| CAF | CAG | HAG | 121.2° | 119.9° |
| CAG | CAF | HAF | 119.1° | 120.1° |
| CAC | CAD | CAE | 122.0° | 119.9° |
| CAC | CAD | HAD | 119.0° | 120.1° |
| CAD | CAC | HAC | 120.9° | 119.9° |
| CAF | CAE | CAD | 117.0° | 119.7° |
| CAF | CAE | CAH | 120.7° | 120.1° |
| CAE | CAF | HAF | 119.1° | 120.0° |
| CAD | CAE | CAH | 122.3° | 120.1° |
| CAE | CAD | HAD | 119.0° | 120.1° |
| CAE | CAH | NAI | 118.7° | 116.0° |
| CAE | CAH | CAN | 116.1° | 116.0° |
| CBE | CBD | NAZ | 114.5° | 109.5° |
| CBD | CBE | HBJ | 109.5° | 109.5° |
| CBD | CBE | HBI | 109.5° | 109.5° |
| CBD | CBE | HBH | 109.4° | 109.5° |
| CBE | CBD | HBG | 108.2° | 109.5° |
| CBE | CBD | HBF | 108.2° | 109.5° |
| CBD | NAZ | CAX | 125.4° | 120.0° |
| NAZ | CBD | HBG | 108.2° | 109.4° |
| NAZ | CBD | HBF | 108.2° | 109.5° |
| CBD | NAZ | HBK | 117.3° | 120.0° |
| NAZ | CAX | OBA | 122.4° | 120.0° |
| NAZ | CAX | CAW | 119.9° | 120.0° |
| CAX | NAZ | HBK | 117.3° | 120.0° |
| NAI | CAH | CAN | 124.9° | 128.0° |
| CAH | NAI | CAJ | 118.5° | 121.9° |
| CAH | CAN | CAR | 119.1° | 118.0° |
| CAH | CAN | CAM | 126.1° | 123.0° |
| NAI | CAJ | CAW | 114.4° | 109.8° |
| NAI | CAJ | CAK | 108.1° | 107.8° |
| NAI | CAJ | HAJ | 106.9° | 109.9° |
| OBA | CAX | CAW | 117.7° | 120.0° |
| CAN | CAR | CAQ | 124.1° | 120.6° |
| CAR | CAN | CAM | 114.8° | 119.0° |
| CAN | CAR | HAR | 118.0° | 119.7° |
| CAR | CAQ | CAP | 120.4° | 120.2° |
| CAR | CAQ | HAQ | 119.8° | 119.8° |
| CAQ | CAR | HAR | 117.9° | 119.7° |
| CAX | CAW | CAJ | 110.6° | 109.5° |
| CAX | CAW | CAY | 113.7° | 109.5° |
| CAX | CAW | HAY | 106.5° | 109.5° |
| CAN | CAM | NAL | 118.5° | 121.8° |
| CAN | CAM | CAO | 121.1° | 119.9° |
| CAQ | CAP | CAO | 117.3° | 119.9° |
| CAQ | CAP | OBB | 120.8° | 120.1° |
| CAP | CAQ | HAQ | 119.8° | 120.0° |
| CAW | CAJ | CAK | 113.3° | 109.8° |
| CAJ | CAW | CAY | 113.4° | 109.5° |
| CAJ | CAW | HAY | 105.9° | 109.5° |
| CAW | CAJ | HAJ | 106.4° | 109.8° |
| CAJ | CAK | NAL | 120.4° | 125.1° |
| CAJ | CAK | NAS | 129.2° | 127.5° |
| CAK | CAJ | HAJ | 107.4° | 109.8° |
| CAY | CAW | HAY | 106.1° | 109.5° |
| CAW | CAY | HA1 | 109.5° | 109.5° |
| CAW | CAY | HA0 | 109.5° | 109.5° |
| CAW | CAY | HAZ | 109.5° | 109.5° |
| NAL | CAM | CAO | 120.4° | 118.3° |
| CAM | NAL | CAK | 123.4° | 126.0° |
| CAM | NAL | CAU | 132.6° | 127.9° |
| CAM | CAO | CAP | 122.2° | 120.4° |
| CAM | CAO | HAO | 118.9° | 119.8° |
| NAL | CAK | NAS | 110.3° | 107.4° |
| CAK | NAL | CAU | 104.0° | 106.1° |
| CAK | NAS | NAT | 107.5° | 109.6° |
| CAO | CAP | OBB | 121.9° | 120.0° |
| CAP | CAO | HAO | 118.9° | 119.8° |
| CAP | OBB | CBC | 117.9° | 117.0° |
| NAL | CAU | NAT | 107.6° | 106.9° |
| NAL | CAU | CAV | 124.6° | 126.5° |
| NAS | NAT | CAU | 110.5° | 109.9° |
| OBB | CBC | HBC | 109.5° | 109.5° |
| OBB | CBC | HBD | 109.5° | 109.5° |
| OBB | CBC | HBE | 109.5° | 109.5° |
| NAT | CAU | CAV | 127.8° | 126.5° |
| CAU | CAV | HAX | 109.5° | 109.5° |
| CAU | CAV | HAV | 109.5° | 109.4° |
| CAU | CAV | HAW | 109.4° | 109.5° |
| HBJ | CBE | HBI | 109.4° | 109.5° |
| HBJ | CBE | HBH | 109.5° | 109.4° |
| HBI | CBE | HBH | 109.5° | 109.5° |
| HBG | CBD | HBF | 109.4° | 109.5° |
| HA1 | CAY | HA0 | 109.5° | 109.5° |
| HA1 | CAY | HAZ | 109.5° | 109.4° |
| HA0 | CAY | HAZ | 109.5° | 109.5° |
| HAX | CAV | HAV | 109.5° | 109.5° |
| HAX | CAV | HAW | 109.5° | 109.5° |
| HAV | CAV | HAW | 109.5° | 109.5° |
| HBC | CBC | HBD | 109.4° | 109.4° |
| HBC | CBC | HBE | 109.5° | 109.4° |
| HBD | CBC | HBE | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CLA | CAB | CAG | CAC | 178.3° | 179.7° |
| CLA | CAB | CAG | CAF | 179.6° | 180.0° |
| CLA | CAB | CAC | CAD | 179.8° | 179.8° |
| CLA | CAB | CAC | HAC | 0.2° | 0.3° |
| CLA | CAB | CAG | HAG | 0.4° | 0.2° |
| CAB | CAG | CAF | HAG | 180.0° | 179.7° |
| CAG | CAB | CAC | CAD | 1.9° | 0.1° |
| CAB | CAG | CAF | CAE | 0.7° | 0.5° |
| CAG | CAB | CAC | HAC | 178.1° | 180.0° |
| CAB | CAG | CAF | HAF | 179.3° | 180.0° |
| CAC | CAB | CAG | CAF | 1.3° | 0.3° |
| CAB | CAC | CAD | HAC | 180.0° | 179.9° |
| CAB | CAC | CAD | CAE | 1.9° | 0.1° |
| CAB | CAC | CAD | HAD | 178.0° | 180.0° |
| CAC | CAB | CAG | HAG | 178.7° | 180.0° |
| CAG | CAF | CAE | HAF | 180.0° | 179.5° |
| CAG | CAF | CAE | CAD | 0.7° | 0.6° |
| CAG | CAF | CAE | CAH | 179.2° | 179.7° |
| CAC | CAD | CAE | CAF | 1.4° | 0.3° |
| CAC | CAD | CAE | HAD | 180.0° | 179.9° |
| CAC | CAD | CAE | CAH | 178.6° | 180.0° |
| CAF | CAE | CAD | CAH | 180.0° | 179.7° |
| CAF | CAE | CAH | NAI | 36.1° | 154.2° |
| CAF | CAE | CAH | CAN | 150.2° | 25.8° |
| CAF | CAE | CAD | HAD | 178.6° | 179.8° |
| CAE | CAF | CAG | HAG | 179.3° | 179.7° |
| CAD | CAE | CAH | NAI | 143.8° | 25.5° |
| CAD | CAE | CAH | CAN | 29.9° | 154.5° |
| CAE | CAD | CAC | HAC | 178.1° | 180.0° |
| CAD | CAE | CAF | HAF | 179.3° | 180.0° |
| CAE | CAH | NAI | CAN | 173.1° | 180.0° |
| CAE | CAH | NAI | CAJ | 176.3° | 178.8° |
| CAE | CAH | CAN | CAR | 48.5° | 39.8° |
| CAE | CAH | CAN | CAM | 133.5° | 138.2° |
| CAH | CAE | CAD | HAD | 1.5° | 0.1° |
| CAH | CAE | CAF | HAF | 0.8° | 0.3° |
| CBE | CBD | NAZ | HBG | 120.7° | 120.0° |
| CBE | CBD | NAZ | HBF | 120.7° | 120.1° |
| CBE | CBD | NAZ | CAX | 88.3° | 180.0° |
| CBD | CBE | HBJ | HBI | 120.0° | 120.1° |
| CBD | CBE | HBJ | HBH | 120.0° | 119.9° |
| CBD | CBE | HBI | HBH | 120.0° | 120.0° |
| CBE | CBD | HBG | HBF | 117.7° | 120.1° |
| CBE | CBD | NAZ | HBK | 91.7° | 0.1° |
| CBD | NAZ | CAX | HBK | 180.0° | 179.9° |
| CBD | NAZ | CAX | OBA | 0.5° | 0.0° |
| CBD | NAZ | CAX | CAW | 179.8° | 180.0° |
| NAZ | CBD | CBE | HBJ | 180.0° | 60.0° |
| NAZ | CBD | CBE | HBI | 60.0° | 60.1° |
| NAZ | CBD | CBE | HBH | 60.0° | 179.9° |
| NAZ | CBD | HBG | HBF | 117.7° | 120.0° |
| NAZ | CAX | OBA | CAW | 179.2° | 180.0° |
| NAZ | CAX | CAW | CAJ | 123.2° | 180.0° |
| NAZ | CAX | CAW | CAY | 107.9° | 60.0° |
| CAX | NAZ | CBD | HBG | 150.9° | 60.0° |
| CAX | NAZ | CBD | HBF | 32.4° | 59.9° |
| NAZ | CAX | CAW | HAY | 8.6° | 60.0° |
| NAI | CAH | CAN | CAR | 138.2° | 140.2° |
| NAI | CAH | CAN | CAM | 39.8° | 41.8° |
| CAH | NAI | CAJ | CAW | 161.2° | 58.4° |
| CAH | NAI | CAJ | CAK | 71.6° | 61.1° |
| CAH | NAI | CAJ | HAJ | 43.6° | 179.3° |
| CAN | CAH | NAI | CAJ | 3.2° | 1.2° |
| CAH | CAN | CAR | CAM | 178.2° | 178.1° |
| CAH | CAN | CAR | CAQ | 179.0° | 176.6° |
| CAH | CAN | CAM | NAL | 0.8° | 4.4° |
| CAH | CAN | CAM | CAO | 179.2° | 175.8° |
| CAH | CAN | CAR | HAR | 1.0° | 3.4° |
| NAI | CAJ | CAW | CAX | 44.2° | 61.7° |
| NAI | CAJ | CAW | CAK | 124.5° | 118.3° |
| NAI | CAJ | CAW | HAJ | 117.8° | 120.9° |
| NAI | CAJ | CAK | HAJ | 114.9° | 119.7° |
| NAI | CAJ | CAW | CAY | 173.3° | 178.3° |
| NAI | CAJ | CAK | NAL | 69.5° | 58.6° |
| NAI | CAJ | CAK | NAS | 106.8° | 121.0° |
| NAI | CAJ | CAW | HAY | 70.8° | 58.3° |
| OBA | CAX | CAW | CAJ | 57.6° | 0.1° |
| OBA | CAX | CAW | CAY | 71.3° | 119.9° |
| OBA | CAX | NAZ | HBK | 179.5° | 179.9° |
| OBA | CAX | CAW | HAY | 172.2° | 120.1° |
| CAN | CAR | CAQ | HAR | 180.0° | 180.0° |
| CAN | CAR | CAQ | CAP | 0.3° | 0.0° |
| CAR | CAN | CAM | NAL | 178.9° | 177.6° |
| CAR | CAN | CAM | CAO | 1.1° | 2.2° |
| CAN | CAR | CAQ | HAQ | 179.7° | 179.9° |
| CAQ | CAR | CAN | CAM | 0.8° | 1.5° |
| CAR | CAQ | CAP | HAQ | 180.0° | 180.0° |
| CAR | CAQ | CAP | CAO | 1.0° | 0.8° |
| CAR | CAQ | CAP | OBB | 179.5° | 179.2° |
| CAX | CAW | CAJ | CAY | 129.0° | 120.0° |
| CAX | CAW | CAJ | HAY | 115.0° | 120.0° |
| CAX | CAW | CAJ | CAK | 168.7° | 180.0° |
| CAX | CAW | CAY | HAY | 116.7° | 120.0° |
| CAW | CAX | NAZ | HBK | 0.2° | 0.1° |
| CAX | CAW | CAY | HA1 | 180.0° | 60.0° |
| CAX | CAW | CAY | HA0 | 60.0° | 60.0° |
| CAX | CAW | CAY | HAZ | 60.0° | 180.0° |
| CAX | CAW | CAJ | HAJ | 73.5° | 59.2° |
| CAN | CAM | NAL | CAO | 180.0° | 179.8° |
| CAN | CAM | NAL | CAK | 42.0° | 36.3° |
| CAN | CAM | CAO | CAP | 0.5° | 1.4° |
| CAN | CAM | NAL | CAU | 139.1° | 145.8° |
| CAN | CAM | CAO | HAO | 179.5° | 178.6° |
| CAM | CAN | CAR | HAR | 179.2° | 178.5° |
| CAQ | CAP | CAO | CAM | 0.6° | 0.1° |
| CAQ | CAP | CAO | OBB | 179.5° | 180.0° |
| CAQ | CAP | OBB | CBC | 0.6° | 0.0° |
| CAQ | CAP | CAO | HAO | 179.4° | 179.9° |
| CAP | CAQ | CAR | HAR | 179.7° | 180.0° |
| CAW | CAJ | CAK | HAJ | 117.2° | 120.8° |
| CAJ | CAW | CAY | HAY | 115.8° | 120.0° |
| CAW | CAJ | CAK | NAL | 162.6° | 60.9° |
| CAW | CAJ | CAK | NAS | 21.1° | 119.4° |
| CAJ | CAW | CAY | HA1 | 52.5° | 60.0° |
| CAJ | CAW | CAY | HA0 | 67.5° | 180.0° |
| CAJ | CAW | CAY | HAZ | 172.6° | 60.0° |
| CAK | CAJ | CAW | CAY | 62.2° | 60.0° |
| CAJ | CAK | NAL | CAM | 3.2° | 4.2° |
| CAJ | CAK | NAL | NAS | 176.9° | 179.7° |
| CAJ | CAK | NAL | CAU | 177.6° | 177.5° |
| CAJ | CAK | NAS | NAT | 176.8° | 177.9° |
| CAK | CAJ | CAW | HAY | 53.7° | 60.0° |
| CAW | CAY | HA1 | HA0 | 120.0° | 120.1° |
| CAW | CAY | HA1 | HAZ | 120.0° | 120.0° |
| CAW | CAY | HA0 | HAZ | 120.0° | 120.0° |
| CAY | CAW | CAJ | HAJ | 55.5° | 60.8° |
| CAM | NAL | CAK | CAU | 179.2° | 178.2° |
| CAM | NAL | CAK | NAS | 179.8° | 176.1° |
| NAL | CAM | CAO | CAP | 179.5° | 178.4° |
| CAM | NAL | CAU | NAT | 179.9° | 176.4° |
| CAM | NAL | CAU | CAV | 0.2° | 3.6° |
| NAL | CAM | CAO | HAO | 0.5° | 1.6° |
| CAO | CAM | NAL | CAK | 138.0° | 143.4° |
| CAM | CAO | CAP | HAO | 180.0° | 180.0° |
| CAM | CAO | CAP | OBB | 179.9° | 179.9° |
| CAO | CAM | NAL | CAU | 41.0° | 34.4° |
| NAL | CAK | NAS | NAT | 0.2° | 1.7° |
| CAK | NAL | CAU | NAT | 0.8° | 1.8° |
| CAK | NAL | CAU | CAV | 179.3° | 178.2° |
| NAL | CAK | CAJ | HAJ | 45.4° | 178.3° |
| NAS | CAK | NAL | CAU | 0.6° | 2.2° |
| CAK | NAS | NAT | CAU | 0.3° | 0.6° |
| NAS | CAK | CAJ | HAJ | 138.3° | 1.4° |
| CAO | CAP | OBB | CBC | 179.9° | 180.0° |
| CAO | CAP | CAQ | HAQ | 179.0° | 179.2° |
| OBB | CAP | CAO | HAO | 0.1° | 0.1° |
| CAP | OBB | CBC | HBC | 180.0° | 60.0° |
| CAP | OBB | CBC | HBD | 60.0° | 60.0° |
| CAP | OBB | CBC | HBE | 60.0° | 180.0° |
| OBB | CAP | CAQ | HAQ | 0.5° | 0.7° |
| NAL | CAU | NAT | NAS | 0.7° | 0.8° |
| NAL | CAU | NAT | CAV | 180.0° | 180.0° |
| NAL | CAU | CAV | HAX | 180.0° | 90.0° |
| NAL | CAU | CAV | HAV | 60.0° | 29.9° |
| NAL | CAU | CAV | HAW | 60.0° | 150.0° |
| NAS | NAT | CAU | CAV | 179.4° | 179.2° |
| OBB | CBC | HBC | HBD | 120.0° | 120.0° |
| OBB | CBC | HBC | HBE | 120.0° | 120.0° |
| OBB | CBC | HBD | HBE | 120.0° | 120.1° |
| NAT | CAU | CAV | HAX | 0.0° | 90.0° |
| NAT | CAU | CAV | HAV | 120.0° | 150.0° |
| NAT | CAU | CAV | HAW | 120.0° | 30.0° |
| CAU | CAV | HAX | HAV | 120.0° | 119.9° |
| CAU | CAV | HAX | HAW | 120.0° | 120.1° |
| CAU | CAV | HAV | HAW | 120.0° | 120.0° |
| HBJ | CBE | HBI | HBH | 120.0° | 119.9° |
| HBJ | CBE | CBD | HBG | 59.2° | 59.9° |
| HBJ | CBE | CBD | HBF | 59.2° | 180.0° |
| HBI | CBE | CBD | HBG | 60.7° | 180.0° |
| HBI | CBE | CBD | HBF | 179.2° | 60.0° |
| HBH | CBE | CBD | HBG | 179.2° | 60.0° |
| HBH | CBE | CBD | HBF | 60.8° | 60.0° |
| HBG | CBD | NAZ | HBK | 29.1° | 120.1° |
| HBF | CBD | NAZ | HBK | 147.6° | 120.0° |
| HAY | CAW | CAY | HA1 | 63.3° | 180.0° |
| HAY | CAW | CAY | HA0 | 176.7° | 60.0° |
| HAY | CAW | CAY | HAZ | 56.7° | 60.0° |
| HAY | CAW | CAJ | HAJ | 171.5° | 179.2° |
| HA1 | CAY | HA0 | HAZ | 120.0° | 119.9° |
| HAX | CAV | HAV | HAW | 120.0° | 120.0° |
| HBC | CBC | HBD | HBE | 120.0° | 119.9° |
| HAQ | CAQ | CAR | HAR | 0.3° | 0.1° |
| HAD | CAD | CAC | HAC | 2.0° | 0.1° |
| HAG | CAG | CAF | HAF | 0.7° | 0.3° |
