609
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAS | CAW | doub | 1.41Å | 1.39Å | Aromatic |
| CAR | CAW | sing | 1.41Å | 1.39Å | Aromatic |
| CAW | CAT | sing | 1.41Å | 1.39Å | Aromatic |
| CAI | CAR | doub | 1.40Å | 1.39Å | Aromatic |
| CAR | CAO | sing | 1.46Å | 1.39Å | Aromatic |
| CAF | CAI | sing | 1.37Å | 1.39Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAF | CAJ | doub | 1.39Å | 1.39Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAJ | CAS | sing | 1.39Å | 1.39Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAS | CAP | sing | 1.47Å | 1.39Å | |
| OAB | CAP | doub | 1.22Å | 1.23Å | |
| CAP | NAX | sing | 1.35Å | 1.40Å | |
| NAX | CAV | sing | 1.37Å | 1.40Å | Aromatic |
| NAX | CAU | sing | 1.39Å | 1.40Å | Aromatic |
| CAK | CAU | sing | 1.39Å | 1.39Å | Aromatic |
| CAU | CAQ | doub | 1.41Å | 1.39Å | Aromatic |
| CAK | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAE | CAD | sing | 1.39Å | 1.39Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAD | CAH | doub | 1.37Å | 1.39Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAQ | CAH | sing | 1.40Å | 1.39Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| NAM | CAQ | sing | 1.35Å | 1.33Å | Aromatic |
| CAV | NAM | doub | 1.32Å | 1.33Å | Aromatic |
| CAT | CAV | sing | 1.48Å | 1.39Å | Aromatic |
| CAT | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| CAG | CAL | sing | 1.39Å | 1.39Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAO | CAG | doub | 1.39Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAN | CAO | sing | 1.47Å | 1.53Å | |
| OAA | CAN | doub | 1.22Å | 1.25Å | |
| CAN | OAC | sing | 1.35Å | 1.25Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAS | CAW | CAR | 120.1° | 119.9° |
| CAS | CAW | CAT | 120.1° | 119.7° |
| CAW | CAS | CAJ | 120.2° | 119.1° |
| CAW | CAS | CAP | 120.3° | 118.9° |
| CAR | CAW | CAT | 119.8° | 120.3° |
| CAW | CAR | CAI | 119.6° | 119.3° |
| CAW | CAR | CAO | 120.3° | 118.6° |
| CAW | CAT | CAV | 120.3° | 118.8° |
| CAW | CAT | CAL | 120.1° | 119.9° |
| CAI | CAR | CAO | 120.2° | 122.1° |
| CAR | CAI | CAF | 120.3° | 120.0° |
| CAR | CAI | HAI | 119.8° | 120.1° |
| CAR | CAO | CAG | 119.7° | 118.9° |
| CAR | CAO | CAN | 121.4° | 120.6° |
| CAF | CAI | HAI | 119.8° | 120.0° |
| CAI | CAF | CAJ | 120.1° | 121.4° |
| CAI | CAF | HAF | 119.9° | 119.3° |
| CAJ | CAF | HAF | 119.9° | 119.3° |
| CAF | CAJ | CAS | 119.7° | 120.3° |
| CAF | CAJ | HAJ | 120.2° | 119.9° |
| CAS | CAJ | HAJ | 120.2° | 119.8° |
| CAJ | CAS | CAP | 119.5° | 122.0° |
| CAS | CAP | OAB | 120.5° | 119.7° |
| CAS | CAP | NAX | 119.4° | 120.7° |
| OAB | CAP | NAX | 120.1° | 119.6° |
| CAP | NAX | CAV | 120.4° | 122.0° |
| CAP | NAX | CAU | 133.1° | 131.0° |
| CAV | NAX | CAU | 106.4° | 107.0° |
| NAX | CAV | NAM | 108.3° | 109.5° |
| NAX | CAV | CAT | 119.5° | 119.9° |
| NAX | CAU | CAK | 132.8° | 133.8° |
| NAX | CAU | CAQ | 106.4° | 106.3° |
| CAK | CAU | CAQ | 120.7° | 120.0° |
| CAU | CAK | CAE | 119.6° | 119.7° |
| CAU | CAK | HAK | 120.2° | 120.2° |
| CAU | CAQ | CAH | 119.5° | 119.4° |
| CAU | CAQ | NAM | 108.7° | 107.3° |
| CAE | CAK | HAK | 120.2° | 120.1° |
| CAK | CAE | CAD | 119.9° | 120.4° |
| CAK | CAE | HAE | 120.0° | 119.8° |
| CAD | CAE | HAE | 120.1° | 119.8° |
| CAE | CAD | CAH | 120.3° | 120.8° |
| CAE | CAD | HAD | 119.8° | 119.6° |
| CAH | CAD | HAD | 119.9° | 119.7° |
| CAD | CAH | CAQ | 120.0° | 119.8° |
| CAD | CAH | HAH | 120.0° | 120.1° |
| CAQ | CAH | HAH | 120.0° | 120.1° |
| CAH | CAQ | NAM | 131.7° | 133.4° |
| CAQ | NAM | CAV | 110.2° | 109.9° |
| NAM | CAV | CAT | 132.1° | 130.6° |
| CAV | CAT | CAL | 119.6° | 121.3° |
| CAT | CAL | CAG | 119.9° | 121.2° |
| CAT | CAL | HAL | 120.0° | 119.4° |
| CAG | CAL | HAL | 120.1° | 119.4° |
| CAL | CAG | CAO | 120.2° | 121.1° |
| CAL | CAG | HAG | 119.9° | 119.4° |
| CAO | CAG | HAG | 119.9° | 119.4° |
| CAG | CAO | CAN | 118.9° | 120.5° |
| CAO | CAN | OAA | 117.6° | 120.0° |
| CAO | CAN | OAC | 118.8° | 120.0° |
| OAA | CAN | OAC | 123.6° | 120.0° |
| CAN | OAC | HOAC | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAS | CAW | CAR | CAT | 179.2° | 179.7° |
| CAS | CAW | CAR | CAI | 0.1° | 0.2° |
| CAS | CAW | CAR | CAO | 179.4° | 179.7° |
| CAW | CAS | CAJ | CAF | 0.1° | 0.5° |
| CAW | CAS | CAJ | CAP | 179.2° | 179.5° |
| CAW | CAS | CAJ | HAJ | 179.9° | 179.8° |
| CAW | CAS | CAP | OAB | 178.5° | 179.6° |
| CAW | CAS | CAP | NAX | 0.5° | 0.5° |
| CAS | CAW | CAT | CAV | 0.4° | 0.2° |
| CAS | CAW | CAT | CAL | 179.4° | 179.8° |
| CAW | CAR | CAI | CAO | 179.5° | 180.0° |
| CAW | CAR | CAI | CAF | 0.2° | 0.0° |
| CAW | CAR | CAI | HAI | 179.8° | 180.0° |
| CAR | CAW | CAS | CAJ | 0.0° | 0.5° |
| CAR | CAW | CAS | CAP | 179.2° | 180.0° |
| CAR | CAW | CAT | CAV | 178.9° | 179.5° |
| CAR | CAW | CAT | CAL | 0.2° | 0.1° |
| CAW | CAR | CAO | CAG | 0.0° | 0.1° |
| CAW | CAR | CAO | CAN | 178.6° | 180.0° |
| CAT | CAW | CAR | CAI | 179.3° | 179.9° |
| CAT | CAW | CAR | CAO | 0.2° | 0.1° |
| CAT | CAW | CAS | CAJ | 179.2° | 179.8° |
| CAT | CAW | CAS | CAP | 0.0° | 0.4° |
| CAW | CAT | CAV | NAX | 0.2° | 0.7° |
| CAW | CAT | CAV | NAM | 175.6° | 180.0° |
| CAW | CAT | CAV | CAL | 179.1° | 179.6° |
| CAW | CAT | CAL | CAG | 0.0° | 0.1° |
| CAW | CAT | CAL | HAL | 180.0° | 180.0° |
| CAR | CAI | CAF | HAI | 180.0° | 180.0° |
| CAR | CAI | CAF | CAJ | 0.2° | 0.0° |
| CAR | CAI | CAF | HAF | 179.8° | 180.0° |
| CAI | CAR | CAO | CAG | 179.5° | 179.9° |
| CAI | CAR | CAO | CAN | 0.9° | 0.0° |
| CAO | CAR | CAI | CAF | 179.3° | 180.0° |
| CAO | CAR | CAI | HAI | 0.7° | 0.0° |
| CAR | CAO | CAG | CAL | 0.2° | 0.1° |
| CAR | CAO | CAG | CAN | 178.6° | 179.9° |
| CAR | CAO | CAG | HAG | 179.8° | 180.0° |
| CAR | CAO | CAN | OAA | 151.1° | 5.7° |
| CAR | CAO | CAN | OAC | 31.1° | 174.3° |
| CAI | CAF | CAJ | HAF | 180.0° | 180.0° |
| CAI | CAF | CAJ | CAS | 0.0° | 0.2° |
| CAI | CAF | CAJ | HAJ | 179.9° | 180.0° |
| HAI | CAI | CAF | CAJ | 179.8° | 180.0° |
| HAI | CAI | CAF | HAF | 0.2° | 0.0° |
| CAF | CAJ | CAS | HAJ | 180.0° | 179.7° |
| CAF | CAJ | CAS | CAP | 179.3° | 180.0° |
| HAF | CAF | CAJ | CAS | 179.9° | 179.7° |
| HAF | CAF | CAJ | HAJ | 0.1° | 0.0° |
| CAJ | CAS | CAP | OAB | 2.3° | 0.1° |
| CAJ | CAS | CAP | NAX | 178.7° | 179.9° |
| HAJ | CAJ | CAS | CAP | 0.7° | 0.3° |
| CAS | CAP | OAB | NAX | 179.1° | 179.9° |
| CAS | CAP | NAX | CAV | 0.7° | 0.0° |
| CAS | CAP | NAX | CAU | 174.7° | 180.0° |
| OAB | CAP | NAX | CAV | 178.4° | 180.0° |
| OAB | CAP | NAX | CAU | 6.3° | 0.1° |
| CAP | NAX | CAV | CAU | 176.5° | 180.0° |
| CAP | NAX | CAU | CAK | 1.5° | 0.0° |
| CAP | NAX | CAU | CAQ | 176.0° | 180.0° |
| CAP | NAX | CAV | NAM | 177.0° | 180.0° |
| CAP | NAX | CAV | CAT | 0.3° | 0.5° |
| CAV | NAX | CAU | CAK | 177.3° | 179.9° |
| CAV | NAX | CAU | CAQ | 0.2° | 0.0° |
| NAX | CAV | NAM | CAQ | 0.7° | 0.0° |
| NAX | CAV | NAM | CAT | 176.1° | 179.4° |
| NAX | CAV | CAT | CAL | 179.3° | 179.8° |
| NAX | CAU | CAK | CAQ | 177.2° | 180.0° |
| NAX | CAU | CAK | CAE | 177.1° | 179.9° |
| NAX | CAU | CAK | HAK | 2.9° | 0.0° |
| NAX | CAU | CAQ | CAH | 177.9° | 180.0° |
| NAX | CAU | CAQ | NAM | 0.2° | 0.0° |
| CAU | NAX | CAV | NAM | 0.5° | 0.0° |
| CAU | NAX | CAV | CAT | 176.2° | 179.4° |
| CAU | CAK | CAE | HAK | 180.0° | 179.9° |
| CAU | CAK | CAE | CAD | 0.1° | 0.0° |
| CAU | CAK | CAE | HAE | 179.9° | 180.0° |
| CAK | CAU | CAQ | CAH | 0.0° | 0.0° |
| CAK | CAU | CAQ | NAM | 178.1° | 180.0° |
| CAQ | CAU | CAK | CAE | 0.1° | 0.1° |
| CAQ | CAU | CAK | HAK | 179.9° | 180.0° |
| CAU | CAQ | CAH | CAD | 0.1° | 0.0° |
| CAU | CAQ | CAH | NAM | 177.5° | 179.9° |
| CAU | CAQ | CAH | HAH | 179.9° | 180.0° |
| CAU | CAQ | NAM | CAV | 0.5° | 0.0° |
| CAK | CAE | CAD | HAE | 180.0° | 180.0° |
| CAK | CAE | CAD | CAH | 0.1° | 0.0° |
| CAK | CAE | CAD | HAD | 179.9° | 179.9° |
| HAK | CAK | CAE | CAD | 179.9° | 180.0° |
| HAK | CAK | CAE | HAE | 0.1° | 0.1° |
| CAE | CAD | CAH | HAD | 180.0° | 179.9° |
| CAE | CAD | CAH | CAQ | 0.2° | 0.1° |
| CAE | CAD | CAH | HAH | 179.8° | 180.0° |
| HAE | CAE | CAD | CAH | 179.9° | 179.9° |
| HAE | CAE | CAD | HAD | 0.1° | 0.1° |
| CAD | CAH | CAQ | HAH | 180.0° | 180.0° |
| CAD | CAH | CAQ | NAM | 177.4° | 179.9° |
| HAD | CAD | CAH | CAQ | 179.8° | 179.9° |
| HAD | CAD | CAH | HAH | 0.2° | 0.1° |
| CAH | CAQ | NAM | CAV | 177.2° | 180.0° |
| HAH | CAH | CAQ | NAM | 2.6° | 0.1° |
| CAQ | NAM | CAV | CAT | 175.5° | 179.4° |
| NAM | CAV | CAT | CAL | 3.5° | 0.5° |
| CAV | CAT | CAL | CAG | 179.0° | 179.5° |
| CAV | CAT | CAL | HAL | 0.9° | 0.5° |
| CAT | CAL | CAG | HAL | 180.0° | 179.9° |
| CAT | CAL | CAG | CAO | 0.2° | 0.1° |
| CAT | CAL | CAG | HAG | 179.8° | 180.0° |
| CAL | CAG | CAO | HAG | 180.0° | 179.9° |
| CAL | CAG | CAO | CAN | 178.4° | 180.0° |
| HAL | CAL | CAG | CAO | 179.8° | 180.0° |
| HAL | CAL | CAG | HAG | 0.2° | 0.0° |
| CAG | CAO | CAN | OAA | 30.3° | 174.3° |
| CAG | CAO | CAN | OAC | 147.5° | 5.6° |
| HAG | CAG | CAO | CAN | 1.6° | 0.1° |
| CAO | CAN | OAA | OAC | 177.7° | 179.9° |
| CAO | CAN | OAC | HOAC | 177.7° | 179.9° |
| OAA | CAN | OAC | HOAC | 0.0° | 0.0° |
