7PY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAX | OAW | sing | 1.43Å | 1.43Å | |
| CAX | HAX1 | sing | 1.09Å | 1.10Å | |
| CAX | HAX2 | sing | 1.09Å | 1.10Å | |
| CAX | HAX3 | sing | 1.09Å | 1.10Å | |
| OAW | CAS | sing | 1.36Å | 1.36Å | |
| CAS | CAR | doub | 1.39Å | 1.39Å | Aromatic |
| CAS | CAT | sing | 1.39Å | 1.39Å | Aromatic |
| CAR | CAF | sing | 1.39Å | 1.39Å | Aromatic |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAT | OAY | sing | 1.36Å | 1.36Å | |
| CAT | CAU | doub | 1.39Å | 1.39Å | Aromatic |
| OAY | CAZ | sing | 1.43Å | 1.43Å | |
| CAZ | HAZ1 | sing | 1.09Å | 1.10Å | |
| CAZ | HAZ2 | sing | 1.09Å | 1.10Å | |
| CAZ | HAZ3 | sing | 1.09Å | 1.10Å | |
| CAU | OBA | sing | 1.36Å | 1.36Å | |
| CAU | CAV | sing | 1.39Å | 1.39Å | Aromatic |
| OBA | CBB | sing | 1.43Å | 1.43Å | |
| CBB | HBB1 | sing | 1.09Å | 1.10Å | |
| CBB | HBB2 | sing | 1.09Å | 1.10Å | |
| CBB | HBB3 | sing | 1.09Å | 1.10Å | |
| CAV | CAF | doub | 1.39Å | 1.39Å | Aromatic |
| CAV | HAV | sing | 1.08Å | 1.08Å | |
| CAF | NAE | sing | 1.40Å | 1.33Å | |
| NAE | CAD | sing | 1.39Å | 1.33Å | |
| NAE | HAE | sing | 0.97Å | 1.00Å | |
| CAD | NAG | sing | 1.32Å | 1.40Å | Aromatic |
| CAD | NAC | doub | 1.33Å | 1.40Å | Aromatic |
| NAG | CAH | doub | 1.33Å | 1.40Å | Aromatic |
| CAH | CAA | sing | 1.41Å | 1.39Å | Aromatic |
| CAH | NAI | sing | 1.37Å | 1.33Å | Aromatic |
| NAC | CAB | sing | 1.32Å | 1.40Å | Aromatic |
| CAB | CAA | doub | 1.39Å | 1.39Å | Aromatic |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAA | CAL | sing | 1.46Å | 1.33Å | Aromatic |
| CAL | CAK | doub | 1.34Å | 1.33Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAK | NAI | sing | 1.37Å | 1.33Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| NAI | CAJ | sing | 1.40Å | 1.33Å | Aromatic |
| CAJ | CAM | doub | 1.39Å | 1.39Å | Aromatic |
| CAJ | NAQ | sing | 1.32Å | 1.40Å | Aromatic |
| CAM | CAN | sing | 1.38Å | 1.39Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAN | CAO | doub | 1.39Å | 1.39Å | Aromatic |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAO | CAP | sing | 1.38Å | 1.39Å | Aromatic |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAP | NAQ | doub | 1.32Å | 1.40Å | Aromatic |
| CAP | HAP | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAW | CAX | HAX1 | 109.5° | 109.5° |
| OAW | CAX | HAX2 | 109.5° | 109.5° |
| OAW | CAX | HAX3 | 109.5° | 109.5° |
| CAX | OAW | CAS | 112.4° | 106.8° |
| HAX1 | CAX | HAX2 | 109.5° | 109.5° |
| HAX1 | CAX | HAX3 | 109.5° | 109.5° |
| HAX2 | CAX | HAX3 | 109.4° | 109.4° |
| OAW | CAS | CAR | 119.3° | 120.0° |
| OAW | CAS | CAT | 119.9° | 120.0° |
| CAR | CAS | CAT | 120.0° | 120.0° |
| CAS | CAR | CAF | 120.7° | 120.0° |
| CAS | CAR | HAR | 119.7° | 120.0° |
| CAS | CAT | OAY | 120.5° | 120.0° |
| CAS | CAT | CAU | 119.7° | 119.9° |
| CAF | CAR | HAR | 119.7° | 120.0° |
| CAR | CAF | CAV | 118.8° | 120.0° |
| CAR | CAF | NAE | 123.6° | 120.0° |
| OAY | CAT | CAU | 119.6° | 120.0° |
| CAT | OAY | CAZ | 111.7° | 106.8° |
| CAT | CAU | OBA | 120.7° | 120.0° |
| CAT | CAU | CAV | 119.8° | 120.0° |
| OAY | CAZ | HAZ1 | 109.4° | 109.5° |
| OAY | CAZ | HAZ2 | 109.5° | 109.4° |
| OAY | CAZ | HAZ3 | 109.5° | 109.5° |
| HAZ1 | CAZ | HAZ2 | 109.5° | 109.5° |
| HAZ1 | CAZ | HAZ3 | 109.5° | 109.5° |
| HAZ2 | CAZ | HAZ3 | 109.4° | 109.4° |
| OBA | CAU | CAV | 119.4° | 120.0° |
| CAU | OBA | CBB | 111.3° | 106.8° |
| CAU | CAV | CAF | 121.0° | 120.0° |
| CAU | CAV | HAV | 119.5° | 120.0° |
| OBA | CBB | HBB1 | 109.5° | 109.5° |
| OBA | CBB | HBB2 | 109.5° | 109.5° |
| OBA | CBB | HBB3 | 109.5° | 109.5° |
| HBB1 | CBB | HBB2 | 109.4° | 109.4° |
| HBB1 | CBB | HBB3 | 109.5° | 109.5° |
| HBB2 | CBB | HBB3 | 109.5° | 109.5° |
| CAF | CAV | HAV | 119.5° | 120.0° |
| CAV | CAF | NAE | 116.8° | 120.0° |
| CAF | NAE | CAD | 127.1° | 120.0° |
| CAF | NAE | HAE | 116.5° | 120.0° |
| CAD | NAE | HAE | 116.5° | 120.1° |
| NAE | CAD | NAG | 119.8° | 118.8° |
| NAE | CAD | NAC | 119.4° | 118.8° |
| NAG | CAD | NAC | 118.9° | 122.4° |
| CAD | NAG | CAH | 119.9° | 120.4° |
| CAD | NAC | CAB | 120.9° | 121.1° |
| NAG | CAH | CAA | 120.7° | 118.6° |
| NAG | CAH | NAI | 132.5° | 134.3° |
| CAA | CAH | NAI | 106.8° | 107.1° |
| CAH | CAA | CAB | 119.8° | 118.8° |
| CAH | CAA | CAL | 106.1° | 106.2° |
| CAH | NAI | CAK | 109.3° | 109.9° |
| CAH | NAI | CAJ | 130.2° | 125.0° |
| NAC | CAB | CAA | 119.7° | 118.6° |
| NAC | CAB | HAB | 120.1° | 120.7° |
| CAA | CAB | HAB | 120.1° | 120.7° |
| CAB | CAA | CAL | 134.1° | 135.0° |
| CAA | CAL | CAK | 109.9° | 106.9° |
| CAA | CAL | HAL | 125.1° | 126.6° |
| CAK | CAL | HAL | 125.1° | 126.5° |
| CAL | CAK | NAI | 107.9° | 109.9° |
| CAL | CAK | HAK | 126.0° | 125.1° |
| NAI | CAK | HAK | 126.1° | 125.0° |
| CAK | NAI | CAJ | 119.8° | 125.1° |
| NAI | CAJ | CAM | 127.1° | 119.6° |
| NAI | CAJ | NAQ | 116.1° | 119.7° |
| CAM | CAJ | NAQ | 116.8° | 120.7° |
| CAJ | CAM | CAN | 121.4° | 119.0° |
| CAJ | CAM | HAM | 119.3° | 120.5° |
| CAJ | NAQ | CAP | 122.3° | 121.6° |
| CAN | CAM | HAM | 119.3° | 120.5° |
| CAM | CAN | CAO | 121.1° | 118.5° |
| CAM | CAN | HAN | 119.4° | 120.7° |
| CAO | CAN | HAN | 119.4° | 120.7° |
| CAN | CAO | CAP | 118.8° | 119.3° |
| CAN | CAO | HAO | 120.6° | 120.4° |
| CAP | CAO | HAO | 120.6° | 120.3° |
| CAO | CAP | NAQ | 119.5° | 120.9° |
| CAO | CAP | HAP | 120.3° | 119.6° |
| NAQ | CAP | HAP | 120.2° | 119.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAW | CAX | HAX1 | HAX2 | 120.0° | 120.0° |
| OAW | CAX | HAX1 | HAX3 | 120.0° | 120.0° |
| OAW | CAX | HAX2 | HAX3 | 120.0° | 120.0° |
| CAX | OAW | CAS | CAR | 96.9° | 0.0° |
| CAX | OAW | CAS | CAT | 93.3° | 179.7° |
| HAX1 | CAX | HAX2 | HAX3 | 120.0° | 120.0° |
| HAX1 | CAX | OAW | CAS | 55.8° | 60.0° |
| HAX2 | CAX | OAW | CAS | 175.8° | 180.0° |
| HAX3 | CAX | OAW | CAS | 64.2° | 60.0° |
| OAW | CAS | CAR | CAT | 169.8° | 179.8° |
| OAW | CAS | CAR | CAF | 167.8° | 180.0° |
| OAW | CAS | CAR | HAR | 12.2° | 0.0° |
| OAW | CAS | CAT | OAY | 17.7° | 0.2° |
| OAW | CAS | CAT | CAU | 167.4° | 179.8° |
| CAS | CAR | CAF | HAR | 180.0° | 180.0° |
| CAR | CAS | CAT | OAY | 172.6° | 180.0° |
| CAR | CAS | CAT | CAU | 2.3° | 0.5° |
| CAS | CAR | CAF | CAV | 0.1° | 0.0° |
| CAS | CAR | CAF | NAE | 170.3° | 180.0° |
| CAT | CAS | CAR | CAF | 1.9° | 0.2° |
| CAT | CAS | CAR | HAR | 178.0° | 179.8° |
| CAS | CAT | OAY | CAU | 174.9° | 179.5° |
| CAS | CAT | OAY | CAZ | 91.2° | 90.5° |
| CAS | CAT | CAU | OBA | 178.7° | 179.8° |
| CAS | CAT | CAU | CAV | 0.9° | 0.5° |
| CAR | CAF | CAV | CAU | 1.3° | 0.0° |
| CAR | CAF | CAV | NAE | 170.8° | 180.0° |
| CAR | CAF | CAV | HAV | 178.7° | 180.0° |
| CAR | CAF | NAE | CAD | 4.2° | 146.3° |
| CAR | CAF | NAE | HAE | 175.8° | 33.7° |
| HAR | CAR | CAF | CAV | 179.8° | 180.0° |
| HAR | CAR | CAF | NAE | 9.7° | 0.0° |
| CAT | OAY | CAZ | HAZ1 | 74.3° | 60.0° |
| CAT | OAY | CAZ | HAZ2 | 165.6° | 60.0° |
| CAT | OAY | CAZ | HAZ3 | 45.7° | 180.0° |
| OAY | CAT | CAU | OBA | 3.8° | 0.3° |
| OAY | CAT | CAU | CAV | 174.1° | 180.0° |
| CAU | CAT | OAY | CAZ | 93.8° | 90.0° |
| CAT | CAU | OBA | CAV | 177.9° | 179.7° |
| CAT | CAU | OBA | CBB | 89.3° | 179.7° |
| CAT | CAU | CAV | CAF | 1.0° | 0.3° |
| CAT | CAU | CAV | HAV | 179.0° | 179.7° |
| OAY | CAZ | HAZ1 | HAZ2 | 120.0° | 120.0° |
| OAY | CAZ | HAZ1 | HAZ3 | 120.1° | 120.0° |
| OAY | CAZ | HAZ2 | HAZ3 | 120.0° | 120.0° |
| HAZ1 | CAZ | HAZ2 | HAZ3 | 120.0° | 120.0° |
| CAU | OBA | CBB | HBB1 | 133.2° | 60.0° |
| CAU | OBA | CBB | HBB2 | 106.9° | 60.0° |
| CAU | OBA | CBB | HBB3 | 13.1° | 180.0° |
| OBA | CAU | CAV | CAF | 176.9° | 180.0° |
| OBA | CAU | CAV | HAV | 3.1° | 0.0° |
| CAV | CAU | OBA | CBB | 92.9° | 0.0° |
| CAU | CAV | CAF | HAV | 180.0° | 180.0° |
| CAU | CAV | CAF | NAE | 169.5° | 180.0° |
| OBA | CBB | HBB1 | HBB2 | 120.0° | 120.0° |
| OBA | CBB | HBB1 | HBB3 | 120.1° | 120.0° |
| OBA | CBB | HBB2 | HBB3 | 120.0° | 120.0° |
| HBB1 | CBB | HBB2 | HBB3 | 120.0° | 120.0° |
| CAV | CAF | NAE | CAD | 166.1° | 33.6° |
| CAV | CAF | NAE | HAE | 13.9° | 146.4° |
| HAV | CAV | CAF | NAE | 10.5° | 0.0° |
| CAF | NAE | CAD | HAE | 180.0° | 180.0° |
| CAF | NAE | CAD | NAG | 18.3° | 174.1° |
| CAF | NAE | CAD | NAC | 177.6° | 5.6° |
| NAE | CAD | NAG | NAC | 164.2° | 179.7° |
| NAE | CAD | NAG | CAH | 162.8° | 179.7° |
| NAE | CAD | NAC | CAB | 163.1° | 180.0° |
| HAE | NAE | CAD | NAG | 161.7° | 5.9° |
| HAE | NAE | CAD | NAC | 2.4° | 174.4° |
| CAD | NAG | CAH | CAA | 0.6° | 0.5° |
| CAD | NAG | CAH | NAI | 179.5° | 179.8° |
| NAG | CAD | NAC | CAB | 1.1° | 0.3° |
| NAC | CAD | NAG | CAH | 1.3° | 0.6° |
| CAD | NAC | CAB | CAA | 0.2° | 0.0° |
| CAD | NAC | CAB | HAB | 179.8° | 180.0° |
| NAG | CAH | CAA | NAI | 179.9° | 179.8° |
| NAG | CAH | CAA | CAB | 0.4° | 0.2° |
| NAG | CAH | CAA | CAL | 179.6° | 179.8° |
| NAG | CAH | NAI | CAK | 179.7° | 179.7° |
| NAG | CAH | NAI | CAJ | 9.1° | 0.2° |
| CAH | CAA | CAB | NAC | 0.6° | 0.0° |
| CAH | CAA | CAB | CAL | 179.9° | 180.0° |
| CAH | CAA | CAB | HAB | 179.4° | 180.0° |
| CAH | CAA | CAL | CAK | 0.4° | 0.0° |
| CAH | CAA | CAL | HAL | 179.6° | 180.0° |
| CAA | CAH | NAI | CAK | 0.3° | 0.0° |
| CAA | CAH | NAI | CAJ | 170.9° | 179.9° |
| NAI | CAH | CAA | CAB | 179.5° | 180.0° |
| NAI | CAH | CAA | CAL | 0.5° | 0.0° |
| CAH | NAI | CAK | CAL | 0.1° | 0.0° |
| CAH | NAI | CAK | CAJ | 171.7° | 179.9° |
| CAH | NAI | CAK | HAK | 179.9° | 180.0° |
| CAH | NAI | CAJ | CAM | 1.2° | 140.1° |
| CAH | NAI | CAJ | NAQ | 178.3° | 40.2° |
| NAC | CAB | CAA | HAB | 180.0° | 180.0° |
| NAC | CAB | CAA | CAL | 179.4° | 180.0° |
| CAB | CAA | CAL | CAK | 179.5° | 180.0° |
| CAB | CAA | CAL | HAL | 0.5° | 0.0° |
| HAB | CAB | CAA | CAL | 0.6° | 0.0° |
| CAA | CAL | CAK | HAL | 180.0° | 179.9° |
| CAA | CAL | CAK | NAI | 0.2° | 0.0° |
| CAA | CAL | CAK | HAK | 179.8° | 180.0° |
| CAL | CAK | NAI | HAK | 180.0° | 180.0° |
| CAL | CAK | NAI | CAJ | 171.8° | 179.9° |
| HAL | CAL | CAK | NAI | 179.8° | 180.0° |
| HAL | CAL | CAK | HAK | 0.3° | 0.1° |
| CAK | NAI | CAJ | CAM | 168.5° | 40.0° |
| CAK | NAI | CAJ | NAQ | 11.9° | 139.7° |
| HAK | CAK | NAI | CAJ | 8.2° | 0.1° |
| NAI | CAJ | CAM | NAQ | 179.5° | 179.8° |
| NAI | CAJ | CAM | CAN | 179.1° | 180.0° |
| NAI | CAJ | CAM | HAM | 1.0° | 0.0° |
| NAI | CAJ | NAQ | CAP | 178.9° | 179.8° |
| CAJ | CAM | CAN | HAM | 180.0° | 180.0° |
| CAJ | CAM | CAN | CAO | 0.1° | 0.0° |
| CAJ | CAM | CAN | HAN | 179.9° | 180.0° |
| CAM | CAJ | NAQ | CAP | 0.7° | 0.5° |
| NAQ | CAJ | CAM | CAN | 0.5° | 0.2° |
| NAQ | CAJ | CAM | HAM | 179.5° | 179.8° |
| CAJ | NAQ | CAP | CAO | 0.3° | 0.4° |
| CAJ | NAQ | CAP | HAP | 179.7° | 179.7° |
| CAM | CAN | CAO | HAN | 180.0° | 180.0° |
| CAM | CAN | CAO | CAP | 0.4° | 0.1° |
| CAM | CAN | CAO | HAO | 179.6° | 180.0° |
| HAM | CAM | CAN | CAO | 180.0° | 180.0° |
| HAM | CAM | CAN | HAN | 0.0° | 0.0° |
| CAN | CAO | CAP | HAO | 180.0° | 179.9° |
| CAN | CAO | CAP | NAQ | 0.2° | 0.2° |
| CAN | CAO | CAP | HAP | 179.8° | 180.0° |
| HAN | CAN | CAO | CAP | 179.6° | 180.0° |
| HAN | CAN | CAO | HAO | 0.4° | 0.0° |
| CAO | CAP | NAQ | HAP | 180.0° | 179.8° |
| HAO | CAO | CAP | NAQ | 179.8° | 179.7° |
| HAO | CAO | CAP | HAP | 0.2° | 0.1° |
