9HW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAV | CAU | sing | 1.51Å | 1.51Å | |
| NAT | CAU | doub | 1.31Å | 1.35Å | Aromatic |
| NAT | NAS | sing | 1.29Å | 1.37Å | Aromatic |
| CAU | NAL | sing | 1.36Å | 1.36Å | Aromatic |
| CAO | CAP | doub | 1.38Å | 1.40Å | Aromatic |
| CAO | CAM | sing | 1.39Å | 1.39Å | Aromatic |
| CAY | CAW | sing | 1.53Å | 1.52Å | |
| NAS | CAK | doub | 1.30Å | 1.34Å | Aromatic |
| CAP | CAQ | sing | 1.39Å | 1.38Å | Aromatic |
| NAL | CAK | sing | 1.36Å | 1.32Å | Aromatic |
| NAL | CAM | sing | 1.40Å | 1.36Å | |
| CAK | CAJ | sing | 1.51Å | 1.51Å | |
| CAM | CAN | doub | 1.40Å | 1.39Å | Aromatic |
| CBE | OBD | sing | 1.43Å | 1.41Å | |
| CAW | CAJ | sing | 1.53Å | 1.52Å | |
| CAW | CAX | sing | 1.51Å | 1.51Å | |
| CAQ | OBD | sing | 1.36Å | 1.41Å | |
| CAQ | CAR | doub | 1.38Å | 1.37Å | Aromatic |
| CAJ | NAI | sing | 1.47Å | 1.43Å | |
| CAN | CAR | sing | 1.40Å | 1.38Å | Aromatic |
| CAN | CAH | sing | 1.47Å | 1.52Å | |
| CAX | OBA | doub | 1.21Å | 1.22Å | |
| CAX | NAZ | sing | 1.35Å | 1.42Å | |
| NAI | CAH | doub | 1.29Å | 1.32Å | |
| CAH | CAE | sing | 1.48Å | 1.51Å | |
| NAZ | CBB | sing | 1.47Å | 1.41Å | |
| CBC | CBB | sing | 1.53Å | 1.51Å | |
| CAE | CAF | doub | 1.40Å | 1.39Å | Aromatic |
| CAE | CAD | sing | 1.39Å | 1.38Å | Aromatic |
| CAF | CAG | sing | 1.38Å | 1.38Å | Aromatic |
| CAD | CAC | doub | 1.38Å | 1.38Å | Aromatic |
| CAG | CAB | doub | 1.38Å | 1.38Å | Aromatic |
| CAC | CAB | sing | 1.39Å | 1.38Å | Aromatic |
| CAB | CLA | sing | 1.74Å | 1.74Å | |
| CBC | HBD | sing | 1.09Å | 1.10Å | |
| CBC | HBE | sing | 1.09Å | 1.10Å | |
| CBC | HBF | sing | 1.09Å | 1.10Å | |
| CBB | HBB | sing | 1.09Å | 1.10Å | |
| CBB | HBC | sing | 1.09Å | 1.10Å | |
| NAZ | HBJ | sing | 0.97Å | 1.00Å | |
| CAW | HAY | sing | 1.09Å | 1.10Å | |
| CAY | HA0 | sing | 1.09Å | 1.10Å | |
| CAY | HA1 | sing | 1.09Å | 1.10Å | |
| CAY | HAZ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAV | HAW | sing | 1.09Å | 1.10Å | |
| CAV | HAX | sing | 1.09Å | 1.10Å | |
| CAV | HAV | sing | 1.09Å | 1.10Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CBE | HBI | sing | 1.09Å | 1.10Å | |
| CBE | HBG | sing | 1.09Å | 1.10Å | |
| CBE | HBH | sing | 1.09Å | 1.10Å | |
| 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) |
| CAV | CAU | NAT | 120.0° | 126.6° |
| CAV | CAU | NAL | 127.9° | 126.5° |
| CAU | CAV | HAW | 109.5° | 109.4° |
| CAU | CAV | HAX | 109.5° | 109.5° |
| CAU | CAV | HAV | 109.5° | 109.4° |
| CAU | NAT | NAS | 106.0° | 109.9° |
| NAT | CAU | NAL | 112.1° | 106.9° |
| NAT | NAS | CAK | 105.3° | 109.6° |
| CAU | NAL | CAK | 102.5° | 106.1° |
| CAU | NAL | CAM | 129.2° | 127.8° |
| CAP | CAO | CAM | 120.2° | 120.5° |
| CAO | CAP | CAQ | 118.5° | 119.9° |
| CAP | CAO | HAO | 119.9° | 119.7° |
| CAO | CAP | HAP | 120.7° | 120.1° |
| CAO | CAM | NAL | 117.7° | 118.2° |
| CAO | CAM | CAN | 117.9° | 119.9° |
| CAM | CAO | HAO | 119.9° | 119.7° |
| CAY | CAW | CAJ | 109.2° | 109.5° |
| CAY | CAW | CAX | 110.9° | 109.5° |
| CAY | CAW | HAY | 109.3° | 109.4° |
| CAW | CAY | HA0 | 109.5° | 109.5° |
| CAW | CAY | HA1 | 109.5° | 109.5° |
| CAW | CAY | HAZ | 109.5° | 109.5° |
| NAS | CAK | NAL | 114.2° | 107.4° |
| NAS | CAK | CAJ | 127.3° | 127.5° |
| CAP | CAQ | OBD | 121.4° | 119.9° |
| CAP | CAQ | CAR | 123.3° | 120.1° |
| CAQ | CAP | HAP | 120.8° | 120.0° |
| CAK | NAL | CAM | 128.2° | 126.0° |
| NAL | CAK | CAJ | 118.6° | 125.1° |
| NAL | CAM | CAN | 123.9° | 121.8° |
| CAK | CAJ | CAW | 112.3° | 109.8° |
| CAK | CAJ | NAI | 105.9° | 107.8° |
| CAK | CAJ | HAJ | 108.7° | 109.8° |
| CAM | CAN | CAR | 123.6° | 119.0° |
| CAM | CAN | CAH | 120.5° | 123.0° |
| CBE | OBD | CAQ | 118.3° | 117.0° |
| OBD | CBE | HBI | 109.5° | 109.5° |
| OBD | CBE | HBG | 109.5° | 109.5° |
| OBD | CBE | HBH | 109.5° | 109.5° |
| CAJ | CAW | CAX | 108.5° | 109.5° |
| CAW | CAJ | NAI | 111.5° | 109.8° |
| CAJ | CAW | HAY | 109.4° | 109.4° |
| CAW | CAJ | HAJ | 108.6° | 109.8° |
| CAW | CAX | OBA | 121.2° | 119.9° |
| CAW | CAX | NAZ | 118.1° | 120.0° |
| CAX | CAW | HAY | 109.4° | 109.5° |
| OBD | CAQ | CAR | 115.3° | 120.0° |
| CAQ | CAR | CAN | 116.4° | 120.5° |
| CAQ | CAR | HAR | 121.8° | 119.7° |
| CAJ | NAI | CAH | 120.5° | 121.9° |
| NAI | CAJ | HAJ | 109.7° | 109.8° |
| CAR | CAN | CAH | 115.8° | 118.0° |
| CAN | CAR | HAR | 121.8° | 119.8° |
| CAN | CAH | NAI | 123.3° | 128.0° |
| CAN | CAH | CAE | 117.1° | 116.0° |
| OBA | CAX | NAZ | 120.7° | 120.1° |
| CAX | NAZ | CBB | 120.6° | 120.0° |
| CAX | NAZ | HBJ | 119.7° | 120.0° |
| NAI | CAH | CAE | 118.9° | 116.0° |
| CAH | CAE | CAF | 120.4° | 120.1° |
| CAH | CAE | CAD | 119.2° | 120.2° |
| NAZ | CBB | CBC | 108.7° | 109.4° |
| NAZ | CBB | HBB | 109.7° | 109.5° |
| NAZ | CBB | HBC | 109.6° | 109.4° |
| CBB | NAZ | HBJ | 119.6° | 120.0° |
| CBB | CBC | HBD | 109.5° | 109.5° |
| CBB | CBC | HBE | 109.5° | 109.4° |
| CBB | CBC | HBF | 109.5° | 109.5° |
| CBC | CBB | HBB | 109.7° | 109.5° |
| CBC | CBB | HBC | 109.7° | 109.5° |
| CAF | CAE | CAD | 120.4° | 119.7° |
| CAE | CAF | CAG | 120.0° | 119.9° |
| CAE | CAF | HAF | 120.0° | 120.0° |
| CAE | CAD | CAC | 119.6° | 119.9° |
| CAE | CAD | HAD | 120.2° | 120.1° |
| CAF | CAG | CAB | 119.4° | 120.2° |
| CAF | CAG | HAG | 120.3° | 119.9° |
| CAG | CAF | HAF | 120.0° | 120.1° |
| CAD | CAC | CAB | 119.9° | 120.2° |
| CAC | CAD | HAD | 120.2° | 120.0° |
| CAD | CAC | HAC | 120.1° | 119.9° |
| CAG | CAB | CAC | 120.8° | 120.2° |
| CAG | CAB | CLA | 119.9° | 119.9° |
| CAB | CAG | HAG | 120.3° | 119.9° |
| CAC | CAB | CLA | 119.3° | 119.9° |
| CAB | CAC | HAC | 120.1° | 119.9° |
| HBD | CBC | HBE | 109.4° | 109.5° |
| HBD | CBC | HBF | 109.5° | 109.5° |
| HBE | CBC | HBF | 109.4° | 109.4° |
| HBB | CBB | HBC | 109.5° | 109.5° |
| HA0 | CAY | HA1 | 109.5° | 109.4° |
| HA0 | CAY | HAZ | 109.4° | 109.4° |
| HA1 | CAY | HAZ | 109.4° | 109.4° |
| HAW | CAV | HAX | 109.5° | 109.5° |
| HAW | CAV | HAV | 109.5° | 109.4° |
| HAX | CAV | HAV | 109.5° | 109.5° |
| HBI | CBE | HBG | 109.5° | 109.5° |
| HBI | CBE | HBH | 109.4° | 109.4° |
| HBG | CBE | HBH | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAV | CAU | NAT | NAL | 179.9° | 179.9° |
| CAV | CAU | NAT | NAS | 179.5° | 179.2° |
| CAV | CAU | NAL | CAK | 179.5° | 178.2° |
| CAV | CAU | NAL | CAM | 1.8° | 3.5° |
| CAU | CAV | HAW | HAX | 120.0° | 120.0° |
| CAU | CAV | HAW | HAV | 120.0° | 119.9° |
| CAU | CAV | HAX | HAV | 120.0° | 120.0° |
| CAU | NAT | NAS | CAK | 0.4° | 0.5° |
| NAT | CAU | NAL | CAK | 0.6° | 1.9° |
| NAT | CAU | NAL | CAM | 178.3° | 176.4° |
| NAT | CAU | CAV | HAW | 0.0° | 89.9° |
| NAT | CAU | CAV | HAX | 120.0° | 150.1° |
| NAT | CAU | CAV | HAV | 120.0° | 30.0° |
| NAS | NAT | CAU | NAL | 0.6° | 0.9° |
| NAT | NAS | CAK | NAL | 0.0° | 1.7° |
| NAT | NAS | CAK | CAJ | 178.4° | 178.0° |
| CAU | NAL | CAM | CAO | 48.0° | 34.5° |
| CAU | NAL | CAK | NAS | 0.3° | 2.2° |
| CAU | NAL | CAK | CAM | 177.8° | 178.3° |
| CAU | NAL | CAK | CAJ | 178.2° | 177.5° |
| CAU | NAL | CAM | CAN | 140.2° | 145.8° |
| NAL | CAU | CAV | HAW | 179.9° | 90.0° |
| NAL | CAU | CAV | HAX | 60.1° | 30.0° |
| NAL | CAU | CAV | HAV | 59.9° | 150.1° |
| CAP | CAO | CAM | HAO | 180.0° | 180.0° |
| CAO | CAP | CAQ | HAP | 180.0° | 179.9° |
| CAP | CAO | CAM | NAL | 172.6° | 178.4° |
| CAP | CAO | CAM | CAN | 0.3° | 1.4° |
| CAO | CAP | CAQ | OBD | 179.2° | 179.2° |
| CAO | CAP | CAQ | CAR | 0.1° | 0.7° |
| CAM | CAO | CAP | CAQ | 0.0° | 0.1° |
| CAO | CAM | NAL | CAK | 134.8° | 143.4° |
| CAO | CAM | NAL | CAN | 171.8° | 179.7° |
| CAO | CAM | CAN | CAR | 0.5° | 2.1° |
| CAO | CAM | CAN | CAH | 176.2° | 175.8° |
| CAM | CAO | CAP | HAP | 180.0° | 179.8° |
| CAY | CAW | CAJ | CAK | 71.3° | 61.7° |
| CAY | CAW | CAJ | CAX | 121.0° | 120.0° |
| CAY | CAW | CAJ | HAY | 119.6° | 119.9° |
| CAY | CAW | CAX | HAY | 120.7° | 119.9° |
| CAY | CAW | CAJ | NAI | 170.0° | 180.0° |
| CAY | CAW | CAX | OBA | 64.2° | 120.1° |
| CAY | CAW | CAX | NAZ | 115.4° | 59.9° |
| CAW | CAY | HA0 | HA1 | 120.0° | 120.1° |
| CAW | CAY | HA0 | HAZ | 120.0° | 120.0° |
| CAW | CAY | HA1 | HAZ | 120.0° | 120.0° |
| CAY | CAW | CAJ | HAJ | 48.9° | 59.2° |
| NAS | CAK | NAL | CAJ | 178.6° | 179.7° |
| NAS | CAK | NAL | CAM | 178.1° | 176.1° |
| NAS | CAK | CAJ | CAW | 13.3° | 119.4° |
| NAS | CAK | CAJ | NAI | 108.6° | 121.0° |
| NAS | CAK | CAJ | HAJ | 133.5° | 1.4° |
| CAP | CAQ | OBD | CBE | 4.6° | 0.0° |
| CAP | CAQ | OBD | CAR | 179.3° | 179.9° |
| CAP | CAQ | CAR | CAN | 0.0° | 0.1° |
| CAQ | CAP | CAO | HAO | 180.0° | 180.0° |
| CAP | CAQ | CAR | HAR | 179.9° | 179.9° |
| CAK | NAL | CAM | CAN | 37.0° | 36.3° |
| NAL | CAK | CAJ | CAW | 168.3° | 61.0° |
| NAL | CAK | CAJ | NAI | 69.7° | 58.6° |
| NAL | CAK | CAJ | HAJ | 48.1° | 178.2° |
| CAM | NAL | CAK | CAJ | 0.5° | 4.2° |
| NAL | CAM | CAN | CAR | 172.3° | 177.6° |
| NAL | CAM | CAN | CAH | 4.3° | 4.5° |
| NAL | CAM | CAO | HAO | 7.3° | 1.7° |
| CAK | CAJ | CAW | NAI | 118.7° | 118.3° |
| CAK | CAJ | CAW | HAJ | 120.2° | 120.9° |
| CAK | CAJ | CAW | CAX | 167.7° | 178.3° |
| CAK | CAJ | NAI | HAJ | 117.2° | 119.6° |
| CAK | CAJ | NAI | CAH | 71.4° | 61.1° |
| CAK | CAJ | CAW | HAY | 48.3° | 58.3° |
| CAM | CAN | CAR | CAQ | 0.4° | 1.5° |
| CAM | CAN | CAR | CAH | 176.8° | 178.0° |
| CAM | CAN | CAH | NAI | 41.4° | 41.8° |
| CAM | CAN | CAH | CAE | 129.5° | 138.2° |
| CAN | CAM | CAO | HAO | 179.7° | 178.6° |
| CAM | CAN | CAR | HAR | 179.6° | 178.5° |
| CBE | OBD | CAQ | CAR | 174.7° | 180.0° |
| OBD | CBE | HBI | HBG | 120.0° | 120.0° |
| OBD | CBE | HBI | HBH | 120.0° | 120.0° |
| OBD | CBE | HBG | HBH | 120.0° | 120.0° |
| CAJ | CAW | CAX | HAY | 119.3° | 120.0° |
| CAW | CAJ | NAI | HAJ | 120.4° | 120.8° |
| CAJ | CAW | CAX | OBA | 55.7° | 0.0° |
| CAJ | CAW | CAX | NAZ | 124.7° | 180.0° |
| CAW | CAJ | NAI | CAH | 166.2° | 58.5° |
| CAJ | CAW | CAY | HA0 | 180.0° | 180.0° |
| CAJ | CAW | CAY | HA1 | 60.0° | 59.9° |
| CAJ | CAW | CAY | HAZ | 60.0° | 60.1° |
| CAX | CAW | CAJ | NAI | 49.0° | 60.0° |
| CAW | CAX | OBA | NAZ | 179.6° | 180.0° |
| CAW | CAX | NAZ | CBB | 179.8° | 180.0° |
| CAW | CAX | NAZ | HBJ | 0.2° | 0.0° |
| CAX | CAW | CAY | HA0 | 60.4° | 59.9° |
| CAX | CAW | CAY | HA1 | 179.5° | 180.0° |
| CAX | CAW | CAY | HAZ | 59.5° | 60.0° |
| CAX | CAW | CAJ | HAJ | 72.1° | 60.8° |
| OBD | CAQ | CAR | CAN | 179.4° | 180.0° |
| OBD | CAQ | CAP | HAP | 0.8° | 0.8° |
| CAQ | OBD | CBE | HBI | 180.0° | 179.9° |
| CAQ | OBD | CBE | HBG | 60.0° | 60.0° |
| CAQ | OBD | CBE | HBH | 60.0° | 60.0° |
| OBD | CAQ | CAR | HAR | 0.6° | 0.1° |
| CAQ | CAR | CAN | HAR | 180.0° | 180.0° |
| CAQ | CAR | CAN | CAH | 176.4° | 176.5° |
| CAR | CAQ | CAP | HAP | 179.9° | 179.2° |
| CAJ | NAI | CAH | CAN | 4.2° | 1.2° |
| CAJ | NAI | CAH | CAE | 174.9° | 178.8° |
| NAI | CAJ | CAW | HAY | 70.4° | 60.1° |
| CAR | CAN | CAH | NAI | 135.5° | 140.2° |
| CAR | CAN | CAH | CAE | 53.6° | 39.8° |
| CAN | CAH | NAI | CAE | 170.7° | 180.0° |
| CAN | CAH | CAE | CAF | 28.3° | 25.6° |
| CAN | CAH | CAE | CAD | 152.5° | 154.7° |
| CAH | CAN | CAR | HAR | 3.6° | 3.5° |
| OBA | CAX | NAZ | CBB | 0.2° | 0.0° |
| OBA | CAX | NAZ | HBJ | 179.8° | 180.0° |
| OBA | CAX | CAW | HAY | 175.0° | 120.0° |
| CAX | NAZ | CBB | HBJ | 180.0° | 180.0° |
| CAX | NAZ | CBB | CBC | 83.8° | 180.0° |
| CAX | NAZ | CBB | HBB | 36.0° | 60.0° |
| CAX | NAZ | CBB | HBC | 156.3° | 60.0° |
| NAZ | CAX | CAW | HAY | 5.4° | 60.0° |
| NAI | CAH | CAE | CAF | 143.0° | 154.4° |
| NAI | CAH | CAE | CAD | 36.3° | 25.3° |
| CAH | NAI | CAJ | HAJ | 45.8° | 179.3° |
| CAH | CAE | CAF | CAD | 179.2° | 179.7° |
| CAH | CAE | CAF | CAG | 179.8° | 179.8° |
| CAH | CAE | CAD | CAC | 179.8° | 180.0° |
| CAH | CAE | CAD | HAD | 0.2° | 0.0° |
| CAH | CAE | CAF | HAF | 0.2° | 0.0° |
| NAZ | CBB | CBC | HBB | 119.9° | 120.0° |
| NAZ | CBB | CBC | HBC | 119.9° | 119.9° |
| NAZ | CBB | CBC | HBD | 180.0° | 60.0° |
| NAZ | CBB | CBC | HBE | 60.0° | 180.0° |
| NAZ | CBB | CBC | HBF | 60.0° | 60.1° |
| NAZ | CBB | HBB | HBC | 120.3° | 120.0° |
| CBB | CBC | HBD | HBE | 120.0° | 119.9° |
| CBB | CBC | HBD | HBF | 120.0° | 120.1° |
| CBB | CBC | HBE | HBF | 120.0° | 120.0° |
| CBC | CBB | HBB | HBC | 120.4° | 120.1° |
| CBC | CBB | NAZ | HBJ | 96.2° | 0.0° |
| CAE | CAF | CAG | HAF | 180.0° | 179.8° |
| CAF | CAE | CAD | CAC | 0.6° | 0.2° |
| CAE | CAF | CAG | CAB | 0.6° | 0.5° |
| CAF | CAE | CAD | HAD | 179.4° | 179.7° |
| CAE | CAF | CAG | HAG | 179.4° | 179.7° |
| CAD | CAE | CAF | CAG | 0.6° | 0.5° |
| CAE | CAD | CAC | HAD | 180.0° | 180.0° |
| CAE | CAD | CAC | CAB | 0.7° | 0.0° |
| CAE | CAD | CAC | HAC | 179.3° | 180.0° |
| CAD | CAE | CAF | HAF | 179.5° | 179.7° |
| CAF | CAG | CAB | HAG | 180.0° | 179.8° |
| CAF | CAG | CAB | CAC | 0.7° | 0.2° |
| CAF | CAG | CAB | CLA | 179.7° | 179.8° |
| CAD | CAC | CAB | CAG | 0.7° | 0.0° |
| CAD | CAC | CAB | HAC | 180.0° | 180.0° |
| CAD | CAC | CAB | CLA | 179.6° | 180.0° |
| CAG | CAB | CAC | CLA | 179.7° | 180.0° |
| CAG | CAB | CAC | HAC | 179.3° | 180.0° |
| CAB | CAG | CAF | HAF | 179.4° | 179.7° |
| CAB | CAC | CAD | HAD | 179.3° | 180.0° |
| CAC | CAB | CAG | HAG | 179.3° | 179.9° |
| CLA | CAB | CAC | HAC | 0.4° | 0.0° |
| CLA | CAB | CAG | HAG | 0.4° | 0.1° |
| HBD | CBC | HBE | HBF | 120.0° | 120.1° |
| HBD | CBC | CBB | HBB | 60.1° | 180.0° |
| HBD | CBC | CBB | HBC | 60.1° | 59.9° |
| HBE | CBC | CBB | HBB | 179.9° | 60.0° |
| HBE | CBC | CBB | HBC | 59.9° | 60.1° |
| HBF | CBC | CBB | HBB | 59.9° | 59.9° |
| HBF | CBC | CBB | HBC | 179.8° | 180.0° |
| HBB | CBB | NAZ | HBJ | 144.0° | 120.0° |
| HBC | CBB | NAZ | HBJ | 23.7° | 120.0° |
| HAY | CAW | CAY | HA0 | 60.4° | 60.0° |
| HAY | CAW | CAY | HA1 | 59.7° | 60.0° |
| HAY | CAW | CAY | HAZ | 179.7° | 180.0° |
| HAY | CAW | CAJ | HAJ | 168.6° | 179.1° |
| HA0 | CAY | HA1 | HAZ | 119.9° | 119.9° |
| HAW | CAV | HAX | HAV | 120.0° | 120.0° |
| HAO | CAO | CAP | HAP | 0.0° | 0.1° |
| HBI | CBE | HBG | HBH | 120.0° | 120.0° |
| HAD | CAD | CAC | HAC | 0.7° | 0.0° |
| HAG | CAG | CAF | HAF | 0.6° | 0.1° |
