EZW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CBD | NBC | doub | 1.31Å | 1.29Å | Aromatic |
| CBD | CBE | sing | 1.39Å | 1.34Å | Aromatic |
| NBC | CBA | sing | 1.34Å | 1.30Å | Aromatic |
| CBE | CBF | doub | 1.37Å | 1.34Å | Aromatic |
| CBA | CAZ | doub | 1.40Å | 1.34Å | Aromatic |
| CBA | CBB | sing | 1.42Å | 1.34Å | Aromatic |
| CBF | CBB | sing | 1.40Å | 1.34Å | Aromatic |
| CAZ | CAY | sing | 1.36Å | 1.34Å | Aromatic |
| CBB | CAS | doub | 1.46Å | 1.35Å | Aromatic |
| CAY | CAX | doub | 1.39Å | 1.34Å | Aromatic |
| CAS | CAX | sing | 1.39Å | 1.34Å | Aromatic |
| CAS | CAN | sing | 1.47Å | 1.54Å | |
| CAN | OAO | sing | 1.35Å | 1.43Å | |
| CAN | CAM | doub | 1.36Å | 1.35Å | |
| OAT | CAM | sing | 1.36Å | 1.42Å | |
| OAT | CAU | sing | 1.34Å | 1.44Å | |
| OAO | CAI | sing | 1.36Å | 1.42Å | |
| CAM | CAL | sing | 1.47Å | 1.53Å | |
| OAW | CAU | doub | 1.21Å | 1.21Å | |
| CAU | CAV | sing | 1.51Å | 1.56Å | |
| CAL | CAR | doub | 1.38Å | 1.34Å | Aromatic |
| CAL | NAK | sing | 1.37Å | 1.45Å | Aromatic |
| CAR | CAQ | sing | 1.40Å | 1.54Å | Aromatic |
| CAI | CAJ | doub | 1.37Å | 1.34Å | Aromatic |
| CAI | CAH | sing | 1.40Å | 1.33Å | Aromatic |
| CAJ | CAF | sing | 1.41Å | 1.34Å | Aromatic |
| NAK | CAH | sing | 1.41Å | 1.46Å | |
| NAK | CAP | sing | 1.37Å | 1.46Å | Aromatic |
| CAQ | CAP | doub | 1.35Å | 1.34Å | Aromatic |
| CAH | CAG | doub | 1.37Å | 1.33Å | Aromatic |
| CAF | CAA | doub | 1.40Å | 1.34Å | Aromatic |
| CAF | CAE | sing | 1.42Å | 1.35Å | Aromatic |
| CAA | CAB | sing | 1.36Å | 1.34Å | Aromatic |
| CAG | CAE | sing | 1.40Å | 1.34Å | Aromatic |
| CAE | CAD | doub | 1.40Å | 1.34Å | Aromatic |
| CAB | CAC | doub | 1.39Å | 1.35Å | Aromatic |
| CAD | CAC | sing | 1.36Å | 1.35Å | Aromatic |
| CAA | HAA | sing | 1.08Å | 1.08Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAV | HAW | sing | 1.09Å | 1.10Å | |
| CAV | HAV | sing | 1.09Å | 1.10Å | |
| CAV | HAX | sing | 1.09Å | 1.10Å | |
| CAX | HAY | sing | 1.08Å | 1.08Å | |
| CAY | HAZ | sing | 1.08Å | 1.08Å | |
| CAZ | HA0 | sing | 1.08Å | 1.08Å | |
| CBD | HBD | sing | 1.08Å | 1.08Å | |
| CBE | HBE | sing | 1.08Å | 1.08Å | |
| CBF | HBF | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NBC | CBD | CBE | 120.0° | 121.7° |
| CBD | NBC | CBA | 121.7° | 121.3° |
| NBC | CBD | HBD | 120.0° | 119.1° |
| CBD | CBE | CBF | 119.6° | 119.9° |
| CBE | CBD | HBD | 120.0° | 119.1° |
| CBD | CBE | HBE | 120.2° | 120.1° |
| NBC | CBA | CAZ | 120.1° | 121.1° |
| NBC | CBA | CBB | 120.4° | 119.6° |
| CBE | CBF | CBB | 119.3° | 118.1° |
| CBF | CBE | HBE | 120.2° | 120.1° |
| CBE | CBF | HBF | 120.3° | 121.0° |
| CAZ | CBA | CBB | 119.4° | 119.2° |
| CBA | CAZ | CAY | 120.3° | 120.8° |
| CBA | CAZ | HA0 | 119.9° | 119.6° |
| CBA | CBB | CBF | 119.0° | 119.3° |
| CBA | CBB | CAS | 120.6° | 119.1° |
| CBF | CBB | CAS | 120.3° | 121.6° |
| CBB | CBF | HBF | 120.4° | 120.9° |
| CAZ | CAY | CAX | 120.3° | 121.9° |
| CAZ | CAY | HAZ | 119.8° | 119.1° |
| CAY | CAZ | HA0 | 119.9° | 119.6° |
| CBB | CAS | CAX | 119.4° | 118.5° |
| CBB | CAS | CAN | 118.4° | 120.7° |
| CAY | CAX | CAS | 120.0° | 120.4° |
| CAY | CAX | HAY | 120.0° | 119.8° |
| CAX | CAY | HAZ | 119.9° | 119.0° |
| CAX | CAS | CAN | 120.3° | 120.7° |
| CAS | CAX | HAY | 120.0° | 119.8° |
| CAS | CAN | OAO | 114.2° | 119.4° |
| CAS | CAN | CAM | 119.7° | 119.6° |
| OAO | CAN | CAM | 126.0° | 121.0° |
| CAN | OAO | CAI | 114.3° | 120.0° |
| CAN | CAM | OAT | 120.5° | 119.8° |
| CAN | CAM | CAL | 124.9° | 120.2° |
| CAM | OAT | CAU | 113.9° | 117.0° |
| OAT | CAM | CAL | 114.7° | 120.0° |
| OAT | CAU | OAW | 118.5° | 120.0° |
| OAT | CAU | CAV | 121.3° | 120.0° |
| OAO | CAI | CAJ | 113.7° | 118.5° |
| OAO | CAI | CAH | 126.3° | 121.0° |
| CAM | CAL | CAR | 127.3° | 125.8° |
| CAM | CAL | NAK | 123.4° | 126.5° |
| OAW | CAU | CAV | 120.2° | 120.0° |
| CAU | CAV | HAW | 109.5° | 109.5° |
| CAU | CAV | HAV | 109.5° | 109.5° |
| CAU | CAV | HAX | 109.5° | 109.5° |
| CAR | CAL | NAK | 109.2° | 107.8° |
| CAL | CAR | CAQ | 106.9° | 107.1° |
| CAL | CAR | HAR | 126.5° | 126.4° |
| CAL | NAK | CAH | 123.1° | 126.4° |
| CAL | NAK | CAP | 107.9° | 108.4° |
| CAR | CAQ | CAP | 108.3° | 107.9° |
| CAR | CAQ | HAQ | 125.8° | 126.0° |
| CAQ | CAR | HAR | 126.6° | 126.5° |
| CAJ | CAI | CAH | 120.1° | 120.5° |
| CAI | CAJ | CAF | 119.3° | 120.0° |
| CAI | CAJ | HAJ | 120.3° | 120.0° |
| CAI | CAH | NAK | 124.8° | 120.4° |
| CAI | CAH | CAG | 121.1° | 120.8° |
| CAJ | CAF | CAA | 119.6° | 121.2° |
| CAJ | CAF | CAE | 120.2° | 119.4° |
| CAF | CAJ | HAJ | 120.4° | 120.0° |
| CAH | NAK | CAP | 128.3° | 125.2° |
| NAK | CAH | CAG | 114.1° | 118.9° |
| NAK | CAP | CAQ | 107.7° | 108.8° |
| NAK | CAP | HAP | 126.2° | 125.6° |
| CAQ | CAP | HAP | 126.1° | 125.6° |
| CAP | CAQ | HAQ | 125.9° | 126.0° |
| CAH | CAG | CAE | 119.2° | 119.9° |
| CAH | CAG | HAG | 120.4° | 120.0° |
| CAA | CAF | CAE | 120.2° | 119.4° |
| CAF | CAA | CAB | 119.5° | 119.7° |
| CAF | CAA | HAA | 120.3° | 120.2° |
| CAF | CAE | CAG | 120.1° | 119.4° |
| CAF | CAE | CAD | 120.3° | 119.3° |
| CAA | CAB | CAC | 120.3° | 120.9° |
| CAB | CAA | HAA | 120.3° | 120.1° |
| CAA | CAB | HAB | 119.9° | 119.5° |
| CAG | CAE | CAD | 119.6° | 121.3° |
| CAE | CAG | HAG | 120.4° | 120.1° |
| CAE | CAD | CAC | 119.6° | 119.7° |
| CAE | CAD | HAD | 120.2° | 120.1° |
| CAB | CAC | CAD | 120.1° | 121.0° |
| CAC | CAB | HAB | 119.8° | 119.6° |
| CAB | CAC | HAC | 120.0° | 119.5° |
| CAD | CAC | HAC | 119.9° | 119.6° |
| CAC | CAD | HAD | 120.2° | 120.1° |
| HAW | CAV | HAV | 109.5° | 109.4° |
| HAW | CAV | HAX | 109.5° | 109.5° |
| HAV | CAV | HAX | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NBC | CBD | CBE | HBD | 180.0° | 179.9° |
| NBC | CBD | CBE | CBF | 0.0° | 0.4° |
| CBD | NBC | CBA | CAZ | 180.0° | 180.0° |
| CBD | NBC | CBA | CBB | 0.2° | 0.2° |
| NBC | CBD | CBE | HBE | 180.0° | 180.0° |
| CBE | CBD | NBC | CBA | 0.1° | 0.1° |
| CBD | CBE | CBF | HBE | 180.0° | 179.7° |
| CBD | CBE | CBF | CBB | 0.0° | 0.3° |
| CBD | CBE | CBF | HBF | 180.0° | 179.7° |
| NBC | CBA | CAZ | CBB | 179.8° | 179.7° |
| NBC | CBA | CBB | CBF | 0.2° | 0.3° |
| NBC | CBA | CAZ | CAY | 179.8° | 180.0° |
| NBC | CBA | CBB | CAS | 179.9° | 179.7° |
| NBC | CBA | CAZ | HA0 | 0.2° | 0.0° |
| CBA | NBC | CBD | HBD | 179.9° | 180.0° |
| CBE | CBF | CBB | CBA | 0.1° | 0.0° |
| CBE | CBF | CBB | HBF | 180.0° | 180.0° |
| CBE | CBF | CBB | CAS | 179.8° | 179.4° |
| CBF | CBE | CBD | HBD | 180.0° | 179.7° |
| CAZ | CBA | CBB | CBF | 180.0° | 180.0° |
| CBA | CAZ | CAY | HA0 | 180.0° | 180.0° |
| CAZ | CBA | CBB | CAS | 0.3° | 0.6° |
| CBA | CAZ | CAY | CAX | 0.1° | 0.0° |
| CBA | CAZ | CAY | HAZ | 179.9° | 180.0° |
| CBA | CBB | CBF | CAS | 179.8° | 179.4° |
| CBB | CBA | CAZ | CAY | 0.0° | 0.3° |
| CBA | CBB | CAS | CAX | 0.6° | 0.5° |
| CBA | CBB | CAS | CAN | 164.9° | 179.7° |
| CBB | CBA | CAZ | HA0 | 180.0° | 179.7° |
| CBA | CBB | CBF | HBF | 179.9° | 180.0° |
| CBF | CBB | CAS | CAX | 179.6° | 179.9° |
| CBF | CBB | CAS | CAN | 15.4° | 0.3° |
| CBB | CBF | CBE | HBE | 180.0° | 180.0° |
| CAZ | CAY | CAX | HAZ | 180.0° | 179.9° |
| CAZ | CAY | CAX | CAS | 0.4° | 0.1° |
| CAZ | CAY | CAX | HAY | 179.5° | 179.9° |
| CBB | CAS | CAX | CAY | 0.7° | 0.2° |
| CBB | CAS | CAX | CAN | 164.0° | 179.7° |
| CBB | CAS | CAN | OAO | 74.3° | 57.0° |
| CBB | CAS | CAN | CAM | 104.3° | 122.8° |
| CBB | CAS | CAX | HAY | 179.3° | 179.8° |
| CAS | CBB | CBF | HBF | 0.2° | 0.6° |
| CAY | CAX | CAS | HAY | 180.0° | 180.0° |
| CAY | CAX | CAS | CAN | 164.7° | 180.0° |
| CAX | CAY | CAZ | HA0 | 179.9° | 180.0° |
| CAX | CAS | CAN | OAO | 89.8° | 123.3° |
| CAX | CAS | CAN | CAM | 91.6° | 56.9° |
| CAS | CAX | CAY | HAZ | 179.6° | 180.0° |
| CAS | CAN | OAO | CAM | 178.5° | 179.8° |
| CAS | CAN | CAM | OAT | 2.0° | 0.6° |
| CAS | CAN | OAO | CAI | 125.6° | 114.9° |
| CAS | CAN | CAM | CAL | 179.5° | 179.5° |
| CAN | CAS | CAX | HAY | 15.3° | 0.0° |
| OAO | CAN | CAM | OAT | 179.6° | 179.6° |
| OAO | CAN | CAM | CAL | 1.1° | 0.3° |
| CAN | OAO | CAI | CAJ | 120.8° | 114.8° |
| CAN | OAO | CAI | CAH | 59.0° | 65.1° |
| CAN | CAM | OAT | CAL | 178.7° | 179.9° |
| CAN | CAM | OAT | CAU | 113.2° | 114.0° |
| CAM | CAN | OAO | CAI | 56.0° | 65.3° |
| CAN | CAM | CAL | CAR | 153.2° | 144.4° |
| CAN | CAM | CAL | NAK | 25.6° | 35.4° |
| CAM | OAT | CAU | OAW | 168.5° | 5.3° |
| CAM | OAT | CAU | CAV | 14.5° | 174.8° |
| OAT | CAM | CAL | CAR | 28.2° | 35.6° |
| OAT | CAM | CAL | NAK | 153.0° | 144.5° |
| CAU | OAT | CAM | CAL | 65.5° | 65.9° |
| OAT | CAU | OAW | CAV | 177.0° | 180.0° |
| OAT | CAU | CAV | HAW | 176.9° | 65.0° |
| OAT | CAU | CAV | HAV | 56.9° | 175.0° |
| OAT | CAU | CAV | HAX | 63.1° | 55.0° |
| OAO | CAI | CAJ | CAH | 179.8° | 179.9° |
| OAO | CAI | CAJ | CAF | 179.5° | 179.4° |
| OAO | CAI | CAH | NAK | 0.1° | 1.5° |
| OAO | CAI | CAH | CAG | 179.0° | 178.9° |
| OAO | CAI | CAJ | HAJ | 0.5° | 0.5° |
| CAM | CAL | CAR | NAK | 178.9° | 179.9° |
| CAM | CAL | CAR | CAQ | 178.6° | 179.8° |
| CAM | CAL | NAK | CAH | 10.4° | 0.1° |
| CAM | CAL | NAK | CAP | 178.6° | 179.9° |
| CAM | CAL | CAR | HAR | 1.4° | 0.1° |
| OAW | CAU | CAV | HAW | 0.0° | 115.0° |
| OAW | CAU | CAV | HAV | 120.0° | 5.0° |
| OAW | CAU | CAV | HAX | 120.0° | 125.0° |
| CAU | CAV | HAW | HAV | 120.0° | 120.0° |
| CAU | CAV | HAW | HAX | 120.0° | 120.0° |
| CAU | CAV | HAV | HAX | 120.0° | 120.0° |
| CAL | CAR | CAQ | HAR | 180.0° | 179.9° |
| CAR | CAL | NAK | CAH | 170.6° | 180.0° |
| CAR | CAL | NAK | CAP | 0.4° | 0.0° |
| CAL | CAR | CAQ | CAP | 0.1° | 0.0° |
| CAL | CAR | CAQ | HAQ | 179.9° | 179.9° |
| NAK | CAL | CAR | CAQ | 0.3° | 0.0° |
| CAL | NAK | CAH | CAI | 39.5° | 35.5° |
| CAL | NAK | CAH | CAP | 169.0° | 180.0° |
| CAL | NAK | CAP | CAQ | 0.3° | 0.0° |
| CAL | NAK | CAH | CAG | 139.4° | 144.8° |
| CAL | NAK | CAP | HAP | 179.7° | 180.0° |
| NAK | CAL | CAR | HAR | 179.7° | 180.0° |
| CAR | CAQ | CAP | NAK | 0.1° | 0.0° |
| CAR | CAQ | CAP | HAQ | 180.0° | 179.9° |
| CAR | CAQ | CAP | HAP | 179.9° | 180.0° |
| CAI | CAJ | CAF | HAJ | 180.0° | 179.9° |
| CAJ | CAI | CAH | NAK | 179.6° | 178.7° |
| CAJ | CAI | CAH | CAG | 0.7° | 1.0° |
| CAI | CAJ | CAF | CAA | 179.8° | 179.9° |
| CAI | CAJ | CAF | CAE | 0.1° | 0.5° |
| CAH | CAI | CAJ | CAF | 0.2° | 0.5° |
| CAI | CAH | NAK | CAG | 179.0° | 179.7° |
| CAI | CAH | NAK | CAP | 151.4° | 144.5° |
| CAI | CAH | CAG | CAE | 0.9° | 0.6° |
| CAI | CAH | CAG | HAG | 179.1° | 179.5° |
| CAH | CAI | CAJ | HAJ | 179.8° | 179.7° |
| CAJ | CAF | CAA | CAE | 179.9° | 179.4° |
| CAJ | CAF | CAA | CAB | 179.9° | 179.7° |
| CAJ | CAF | CAE | CAG | 0.1° | 0.9° |
| CAJ | CAF | CAE | CAD | 179.9° | 179.6° |
| CAJ | CAF | CAA | HAA | 0.1° | 0.5° |
| CAH | NAK | CAP | CAQ | 170.1° | 180.0° |
| NAK | CAH | CAG | CAE | 179.9° | 179.1° |
| NAK | CAH | CAG | HAG | 0.1° | 0.8° |
| CAH | NAK | CAP | HAP | 9.9° | 0.0° |
| NAK | CAP | CAQ | HAP | 180.0° | 180.0° |
| CAP | NAK | CAH | CAG | 29.6° | 35.2° |
| NAK | CAP | CAQ | HAQ | 179.9° | 179.9° |
| CAP | CAQ | CAR | HAR | 179.9° | 180.0° |
| CAH | CAG | CAE | CAF | 0.6° | 0.4° |
| CAH | CAG | CAE | HAG | 180.0° | 180.0° |
| CAH | CAG | CAE | CAD | 179.6° | 179.9° |
| CAF | CAA | CAB | HAA | 180.0° | 179.7° |
| CAA | CAF | CAE | CAG | 180.0° | 179.7° |
| CAA | CAF | CAE | CAD | 0.2° | 0.1° |
| CAF | CAA | CAB | CAC | 0.2° | 0.3° |
| CAF | CAA | CAB | HAB | 179.8° | 179.7° |
| CAA | CAF | CAJ | HAJ | 0.2° | 0.0° |
| CAE | CAF | CAA | CAB | 0.0° | 0.3° |
| CAF | CAE | CAG | CAD | 179.8° | 179.5° |
| CAF | CAE | CAD | CAC | 0.1° | 0.0° |
| CAE | CAF | CAA | HAA | 180.0° | 180.0° |
| CAF | CAE | CAD | HAD | 179.9° | 179.9° |
| CAF | CAE | CAG | HAG | 179.4° | 179.6° |
| CAE | CAF | CAJ | HAJ | 180.0° | 179.4° |
| CAA | CAB | CAC | HAB | 180.0° | 180.0° |
| CAA | CAB | CAC | CAD | 0.3° | 0.1° |
| CAA | CAB | CAC | HAC | 179.7° | 179.9° |
| CAG | CAE | CAD | CAC | 179.9° | 179.5° |
| CAG | CAE | CAD | HAD | 0.1° | 0.6° |
| CAE | CAD | CAC | CAB | 0.1° | 0.0° |
| CAE | CAD | CAC | HAD | 180.0° | 179.9° |
| CAE | CAD | CAC | HAC | 179.9° | 179.9° |
| CAD | CAE | CAG | HAG | 0.4° | 0.0° |
| CAB | CAC | CAD | HAC | 180.0° | 180.0° |
| CAC | CAB | CAA | HAA | 179.8° | 180.0° |
| CAB | CAC | CAD | HAD | 179.9° | 179.9° |
| CAD | CAC | CAB | HAB | 179.7° | 179.9° |
| HAA | CAA | CAB | HAB | 0.2° | 0.0° |
| HAB | CAB | CAC | HAC | 0.3° | 0.1° |
| HAC | CAC | CAD | HAD | 0.1° | 0.2° |
| HAP | CAP | CAQ | HAQ | 0.1° | 0.0° |
| HAQ | CAQ | CAR | HAR | 0.2° | 0.1° |
| HAW | CAV | HAV | HAX | 120.0° | 119.9° |
| HAY | CAX | CAY | HAZ | 0.4° | 0.0° |
| HAZ | CAY | CAZ | HA0 | 0.1° | 0.0° |
| HBD | CBD | CBE | HBE | 0.0° | 0.0° |
| HBE | CBE | CBF | HBF | 0.0° | 0.0° |
