W1G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAG | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | CAP | doub | 1.39Å | 1.39Å | Aromatic |
| CAE | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| CAD | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAP | sing | 1.39Å | 1.40Å | Aromatic |
| CAP | OAM | sing | 1.36Å | 1.38Å | |
| OAM | CAQ | sing | 1.36Å | 1.36Å | |
| CAQ | CAJ | sing | 1.39Å | 1.39Å | Aromatic |
| CAQ | CAN | doub | 1.39Å | 1.40Å | Aromatic |
| CAJ | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CAO | sing | 1.38Å | 1.39Å | Aromatic |
| CAO | CAL | sing | 1.51Å | 1.54Å | |
| CAO | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAL | CAC | sing | 1.51Å | 1.40Å | |
| CAC | CAA | doub | 1.31Å | 1.38Å | |
| CAK | CAN | sing | 1.39Å | 1.40Å | Aromatic |
| CAN | OAB | sing | 1.36Å | 1.38Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAA | HAA1 | sing | 1.08Å | 1.08Å | |
| CAA | HAA2 | sing | 1.08Å | 1.08Å | |
| OAB | HAB | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAE | CAG | CAP | 119.0° | 119.9° |
| CAG | CAE | CAD | 121.8° | 120.1° |
| CAE | CAG | HAG | 120.5° | 120.0° |
| CAG | CAE | HAE | 119.1° | 120.0° |
| CAG | CAP | CAH | 119.0° | 119.9° |
| CAG | CAP | OAM | 122.1° | 120.1° |
| CAP | CAG | HAG | 120.5° | 120.0° |
| CAE | CAD | CAF | 119.6° | 120.1° |
| CAD | CAE | HAE | 119.1° | 119.9° |
| CAE | CAD | HAD | 120.2° | 120.0° |
| CAD | CAF | CAH | 118.4° | 120.0° |
| CAF | CAD | HAD | 120.2° | 119.9° |
| CAD | CAF | HAF | 120.8° | 120.0° |
| CAF | CAH | CAP | 122.3° | 119.9° |
| CAH | CAF | HAF | 120.8° | 120.0° |
| CAF | CAH | HAH | 118.8° | 120.0° |
| CAH | CAP | OAM | 118.9° | 120.0° |
| CAP | CAH | HAH | 118.9° | 120.1° |
| CAP | OAM | CAQ | 118.2° | 118.0° |
| OAM | CAQ | CAJ | 118.9° | 120.1° |
| OAM | CAQ | CAN | 121.8° | 120.1° |
| CAJ | CAQ | CAN | 119.3° | 119.8° |
| CAQ | CAJ | CAI | 121.2° | 120.0° |
| CAQ | CAJ | HAJ | 119.4° | 120.0° |
| CAQ | CAN | CAK | 118.1° | 119.9° |
| CAQ | CAN | OAB | 120.5° | 120.1° |
| CAJ | CAI | CAO | 120.5° | 120.1° |
| CAI | CAJ | HAJ | 119.4° | 120.0° |
| CAJ | CAI | HAI | 119.7° | 119.9° |
| CAI | CAO | CAL | 119.8° | 119.9° |
| CAI | CAO | CAK | 117.6° | 120.2° |
| CAO | CAI | HAI | 119.8° | 120.0° |
| CAL | CAO | CAK | 122.5° | 119.9° |
| CAO | CAL | CAC | 112.4° | 109.5° |
| CAO | CAL | HAL1 | 108.7° | 109.5° |
| CAO | CAL | HAL2 | 108.7° | 109.5° |
| CAO | CAK | CAN | 123.2° | 119.9° |
| CAO | CAK | HAK | 118.4° | 120.0° |
| CAL | CAC | CAA | 118.8° | 120.0° |
| CAC | CAL | HAL1 | 108.7° | 109.5° |
| CAC | CAL | HAL2 | 108.7° | 109.4° |
| CAL | CAC | HAC | 120.6° | 120.0° |
| CAA | CAC | HAC | 120.6° | 120.0° |
| CAC | CAA | HAA1 | 120.0° | 120.0° |
| CAC | CAA | HAA2 | 120.0° | 120.0° |
| CAK | CAN | OAB | 121.3° | 120.0° |
| CAN | CAK | HAK | 118.4° | 120.0° |
| CAN | OAB | HAB | 109.5° | 114.1° |
| HAL1 | CAL | HAL2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA2 | 120.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAE | CAG | CAP | HAG | 180.0° | 179.6° |
| CAG | CAE | CAD | HAE | 180.0° | 180.0° |
| CAG | CAE | CAD | CAF | 1.4° | 0.1° |
| CAE | CAG | CAP | CAH | 0.5° | 0.1° |
| CAE | CAG | CAP | OAM | 177.5° | 179.9° |
| CAG | CAE | CAD | HAD | 178.6° | 180.0° |
| CAP | CAG | CAE | CAD | 1.7° | 0.1° |
| CAG | CAP | CAH | CAF | 1.1° | 0.0° |
| CAG | CAP | CAH | OAM | 178.1° | 180.0° |
| CAG | CAP | OAM | CAQ | 10.0° | 67.6° |
| CAP | CAG | CAE | HAE | 178.3° | 179.9° |
| CAG | CAP | CAH | HAH | 178.9° | 179.9° |
| CAE | CAD | CAF | HAD | 180.0° | 179.9° |
| CAE | CAD | CAF | CAH | 0.2° | 0.0° |
| CAD | CAE | CAG | HAG | 178.3° | 179.7° |
| CAE | CAD | CAF | HAF | 179.8° | 180.0° |
| CAD | CAF | CAH | HAF | 180.0° | 180.0° |
| CAD | CAF | CAH | CAP | 1.4° | 0.0° |
| CAF | CAD | CAE | HAE | 178.6° | 180.0° |
| CAD | CAF | CAH | HAH | 178.6° | 179.9° |
| CAF | CAH | CAP | HAH | 180.0° | 179.9° |
| CAF | CAH | CAP | OAM | 179.2° | 180.0° |
| CAH | CAF | CAD | HAD | 179.8° | 179.9° |
| CAH | CAP | OAM | CAQ | 168.0° | 112.4° |
| CAH | CAP | CAG | HAG | 179.5° | 179.7° |
| CAP | CAH | CAF | HAF | 178.5° | 180.0° |
| CAP | OAM | CAQ | CAJ | 98.4° | 6.2° |
| CAP | OAM | CAQ | CAN | 84.1° | 174.0° |
| OAM | CAP | CAG | HAG | 2.5° | 0.3° |
| OAM | CAP | CAH | HAH | 0.8° | 0.1° |
| OAM | CAQ | CAJ | CAN | 177.6° | 179.7° |
| OAM | CAQ | CAJ | CAI | 177.7° | 180.0° |
| OAM | CAQ | CAN | CAK | 179.7° | 179.7° |
| OAM | CAQ | CAN | OAB | 1.2° | 0.0° |
| OAM | CAQ | CAJ | HAJ | 2.3° | 0.0° |
| CAQ | CAJ | CAI | HAJ | 180.0° | 180.0° |
| CAQ | CAJ | CAI | CAO | 3.7° | 0.0° |
| CAJ | CAQ | CAN | CAK | 2.8° | 0.6° |
| CAJ | CAQ | CAN | OAB | 178.7° | 179.7° |
| CAQ | CAJ | CAI | HAI | 176.3° | 180.0° |
| CAN | CAQ | CAJ | CAI | 4.8° | 0.3° |
| CAQ | CAN | CAK | CAO | 0.2° | 0.6° |
| CAQ | CAN | CAK | OAB | 178.5° | 179.7° |
| CAN | CAQ | CAJ | HAJ | 175.2° | 179.7° |
| CAQ | CAN | CAK | HAK | 179.8° | 179.8° |
| CAQ | CAN | OAB | HAB | 180.0° | 90.0° |
| CAJ | CAI | CAO | HAI | 180.0° | 180.0° |
| CAJ | CAI | CAO | CAL | 176.2° | 180.0° |
| CAJ | CAI | CAO | CAK | 0.6° | 0.0° |
| CAI | CAO | CAL | CAK | 176.7° | 179.9° |
| CAI | CAO | CAL | CAC | 94.5° | 90.0° |
| CAI | CAO | CAK | CAN | 1.3° | 0.3° |
| CAO | CAI | CAJ | HAJ | 176.3° | 180.0° |
| CAI | CAO | CAL | HAL1 | 145.0° | 150.0° |
| CAI | CAO | CAL | HAL2 | 25.9° | 30.0° |
| CAI | CAO | CAK | HAK | 178.7° | 180.0° |
| CAO | CAL | CAC | HAL1 | 120.5° | 120.0° |
| CAO | CAL | CAC | HAL2 | 120.4° | 120.0° |
| CAO | CAL | CAC | CAA | 30.5° | 125.0° |
| CAL | CAO | CAK | CAN | 178.1° | 179.7° |
| CAL | CAO | CAI | HAI | 3.8° | 0.0° |
| CAO | CAL | HAL1 | HAL2 | 118.7° | 120.1° |
| CAL | CAO | CAK | HAK | 1.9° | 0.1° |
| CAO | CAL | CAC | HAC | 149.5° | 55.0° |
| CAK | CAO | CAL | CAC | 88.8° | 90.0° |
| CAO | CAK | CAN | HAK | 180.0° | 179.6° |
| CAO | CAK | CAN | OAB | 178.3° | 179.7° |
| CAK | CAO | CAI | HAI | 179.4° | 180.0° |
| CAK | CAO | CAL | HAL1 | 31.7° | 30.0° |
| CAK | CAO | CAL | HAL2 | 150.8° | 150.0° |
| CAL | CAC | CAA | HAC | 180.0° | 180.0° |
| CAC | CAL | HAL1 | HAL2 | 118.6° | 120.0° |
| CAL | CAC | CAA | HAA1 | 180.0° | 0.0° |
| CAL | CAC | CAA | HAA2 | 0.0° | 180.0° |
| CAA | CAC | CAL | HAL1 | 150.9° | 5.0° |
| CAA | CAC | CAL | HAL2 | 90.0° | 115.0° |
| CAC | CAA | HAA1 | HAA2 | 180.0° | 180.0° |
| CAK | CAN | OAB | HAB | 1.6° | 89.8° |
| OAB | CAN | CAK | HAK | 1.7° | 0.1° |
| HAG | CAG | CAE | HAE | 1.7° | 0.3° |
| HAE | CAE | CAD | HAD | 1.4° | 0.0° |
| HAD | CAD | CAF | HAF | 0.2° | 0.0° |
| HAF | CAF | CAH | HAH | 1.5° | 0.1° |
| HAJ | CAJ | CAI | HAI | 3.6° | 0.0° |
| HAL1 | CAL | CAC | HAC | 29.1° | 175.0° |
| HAL2 | CAL | CAC | HAC | 90.0° | 65.0° |
| HAC | CAC | CAA | HAA1 | 0.0° | 180.0° |
| HAC | CAC | CAA | HAA2 | 180.0° | 0.0° |
