C65
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAB | doub | 1.38Å | 1.38Å | Aromatic |
| CAA | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAB | CAC | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAD | CAE | sing | 1.40Å | 1.39Å | Aromatic |
| CAE | CAF | doub | 1.40Å | 1.40Å | Aromatic |
| CAE | NAG | sing | 1.37Å | 1.44Å | |
| NAG | NAH | doub | 1.29Å | 1.27Å | |
| NAH | CAI | sing | 1.37Å | 1.45Å | |
| CAI | CAJ | doub | 1.40Å | 1.39Å | Aromatic |
| CAI | CAN | sing | 1.40Å | 1.39Å | Aromatic |
| CAJ | CAK | sing | 1.37Å | 1.39Å | Aromatic |
| CAK | CAL | doub | 1.40Å | 1.38Å | Aromatic |
| CAL | CAM | sing | 1.40Å | 1.39Å | Aromatic |
| CAL | CAO | sing | 1.47Å | 1.50Å | |
| CAM | CAN | doub | 1.37Å | 1.41Å | Aromatic |
| CAO | CAP | doub | 1.35Å | 1.34Å | |
| CAP | CAQ | sing | 1.46Å | 1.49Å | |
| CAQ | NAR | sing | 1.35Å | 1.28Å | |
| CAQ | OAS | doub | 1.22Å | 1.22Å | |
| NAR | OAT | sing | 1.42Å | 1.38Å | |
| 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 | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| NAR | HNAR | sing | 0.97Å | 1.00Å | |
| OAT | HOAT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAA | CAF | 119.6° | 120.2° |
| CAA | CAB | CAC | 119.1° | 120.3° |
| CAB | CAA | HAA | 120.2° | 119.9° |
| CAA | CAB | HAB | 120.4° | 119.9° |
| CAA | CAF | CAE | 122.7° | 119.8° |
| CAF | CAA | HAA | 120.2° | 119.9° |
| CAA | CAF | HAF | 118.6° | 120.1° |
| CAB | CAC | CAD | 120.8° | 120.2° |
| CAC | CAB | HAB | 120.5° | 119.8° |
| CAB | CAC | HAC | 119.6° | 119.9° |
| CAC | CAD | CAE | 121.7° | 119.9° |
| CAD | CAC | HAC | 119.6° | 119.9° |
| CAC | CAD | HAD | 119.2° | 120.1° |
| CAD | CAE | CAF | 116.2° | 119.6° |
| CAD | CAE | NAG | 123.1° | 120.2° |
| CAE | CAD | HAD | 119.2° | 120.1° |
| CAF | CAE | NAG | 120.7° | 120.2° |
| CAE | CAF | HAF | 118.7° | 120.1° |
| CAE | NAG | NAH | 129.1° | 120.0° |
| NAG | NAH | CAI | 127.2° | 120.0° |
| NAH | CAI | CAJ | 119.7° | 120.0° |
| NAH | CAI | CAN | 126.1° | 120.0° |
| CAJ | CAI | CAN | 114.2° | 120.0° |
| CAI | CAJ | CAK | 122.9° | 120.0° |
| CAI | CAJ | HAJ | 118.5° | 120.1° |
| CAI | CAN | CAM | 123.1° | 120.0° |
| CAI | CAN | HAN | 118.5° | 120.0° |
| CAJ | CAK | CAL | 122.6° | 120.0° |
| CAK | CAJ | HAJ | 118.6° | 119.9° |
| CAJ | CAK | HAK | 118.7° | 120.0° |
| CAK | CAL | CAM | 115.9° | 120.0° |
| CAK | CAL | CAO | 117.0° | 120.0° |
| CAL | CAK | HAK | 118.7° | 120.0° |
| CAM | CAL | CAO | 127.0° | 120.0° |
| CAL | CAM | CAN | 121.3° | 120.0° |
| CAL | CAM | HAM | 119.4° | 120.0° |
| CAL | CAO | CAP | 127.1° | 120.0° |
| CAL | CAO | HAO | 116.4° | 120.0° |
| CAN | CAM | HAM | 119.4° | 120.0° |
| CAM | CAN | HAN | 118.4° | 120.0° |
| CAO | CAP | CAQ | 115.6° | 120.0° |
| CAP | CAO | HAO | 116.5° | 120.0° |
| CAO | CAP | HAP | 122.2° | 120.0° |
| CAP | CAQ | NAR | 113.6° | 120.0° |
| CAP | CAQ | OAS | 132.5° | 120.0° |
| CAQ | CAP | HAP | 122.2° | 120.0° |
| NAR | CAQ | OAS | 113.9° | 120.0° |
| CAQ | NAR | OAT | 117.4° | 120.0° |
| CAQ | NAR | HNAR | 121.3° | 120.0° |
| OAT | NAR | HNAR | 121.3° | 119.9° |
| NAR | OAT | HOAT | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAA | CAF | HAA | 180.0° | 179.8° |
| CAA | CAB | CAC | HAB | 180.0° | 179.9° |
| CAA | CAB | CAC | CAD | 0.2° | 0.0° |
| CAB | CAA | CAF | CAE | 0.5° | 0.0° |
| CAA | CAB | CAC | HAC | 179.8° | 180.0° |
| CAB | CAA | CAF | HAF | 179.5° | 180.0° |
| CAF | CAA | CAB | CAC | 0.1° | 0.0° |
| CAA | CAF | CAE | CAD | 0.9° | 0.0° |
| CAA | CAF | CAE | HAF | 180.0° | 180.0° |
| CAA | CAF | CAE | NAG | 178.8° | 180.0° |
| CAF | CAA | CAB | HAB | 179.9° | 179.9° |
| CAB | CAC | CAD | HAC | 180.0° | 180.0° |
| CAB | CAC | CAD | CAE | 0.6° | 0.0° |
| CAC | CAB | CAA | HAA | 179.8° | 179.8° |
| CAB | CAC | CAD | HAD | 179.3° | 179.9° |
| CAC | CAD | CAE | HAD | 180.0° | 179.9° |
| CAC | CAD | CAE | CAF | 1.0° | 0.0° |
| CAC | CAD | CAE | NAG | 178.8° | 180.0° |
| CAD | CAC | CAB | HAB | 179.8° | 179.9° |
| CAD | CAE | CAF | NAG | 177.9° | 180.0° |
| CAD | CAE | NAG | NAH | 13.5° | 180.0° |
| CAE | CAD | CAC | HAC | 179.4° | 180.0° |
| CAD | CAE | CAF | HAF | 179.1° | 180.0° |
| CAF | CAE | NAG | NAH | 168.7° | 0.0° |
| CAE | CAF | CAA | HAA | 179.5° | 179.8° |
| CAF | CAE | CAD | HAD | 179.0° | 179.9° |
| CAE | NAG | NAH | CAI | 178.4° | 180.0° |
| NAG | CAE | CAD | HAD | 1.2° | 0.0° |
| NAG | CAE | CAF | HAF | 1.2° | 0.0° |
| NAG | NAH | CAI | CAJ | 178.2° | 180.0° |
| NAG | NAH | CAI | CAN | 1.3° | 0.3° |
| NAH | CAI | CAJ | CAN | 179.5° | 179.7° |
| NAH | CAI | CAJ | CAK | 178.4° | 180.0° |
| NAH | CAI | CAN | CAM | 179.5° | 179.8° |
| NAH | CAI | CAJ | HAJ | 1.6° | 0.0° |
| NAH | CAI | CAN | HAN | 0.5° | 0.0° |
| CAI | CAJ | CAK | HAJ | 180.0° | 180.0° |
| CAI | CAJ | CAK | CAL | 2.1° | 0.0° |
| CAJ | CAI | CAN | CAM | 0.0° | 0.5° |
| CAI | CAJ | CAK | HAK | 177.9° | 180.0° |
| CAJ | CAI | CAN | HAN | 180.0° | 179.7° |
| CAN | CAI | CAJ | CAK | 1.2° | 0.3° |
| CAI | CAN | CAM | CAL | 0.4° | 0.5° |
| CAI | CAN | CAM | HAN | 180.0° | 179.8° |
| CAN | CAI | CAJ | HAJ | 178.8° | 179.7° |
| CAI | CAN | CAM | HAM | 179.7° | 179.7° |
| CAJ | CAK | CAL | HAK | 180.0° | 180.0° |
| CAJ | CAK | CAL | CAM | 1.7° | 0.0° |
| CAJ | CAK | CAL | CAO | 179.7° | 180.0° |
| CAK | CAL | CAM | CAO | 177.8° | 179.9° |
| CAK | CAL | CAM | CAN | 0.5° | 0.3° |
| CAK | CAL | CAO | CAP | 167.4° | 180.0° |
| CAL | CAK | CAJ | HAJ | 177.9° | 180.0° |
| CAK | CAL | CAM | HAM | 179.5° | 180.0° |
| CAK | CAL | CAO | HAO | 12.6° | 0.0° |
| CAL | CAM | CAN | HAM | 180.0° | 179.8° |
| CAM | CAL | CAO | CAP | 10.4° | 0.0° |
| CAM | CAL | CAK | HAK | 178.4° | 180.0° |
| CAL | CAM | CAN | HAN | 179.6° | 179.7° |
| CAM | CAL | CAO | HAO | 169.6° | 179.9° |
| CAO | CAL | CAM | CAN | 178.3° | 179.8° |
| CAL | CAO | CAP | HAO | 180.0° | 180.0° |
| CAL | CAO | CAP | CAQ | 176.3° | 180.0° |
| CAO | CAL | CAK | HAK | 0.3° | 0.1° |
| CAO | CAL | CAM | HAM | 1.7° | 0.0° |
| CAL | CAO | CAP | HAP | 3.8° | 0.0° |
| CAO | CAP | CAQ | HAP | 180.0° | 180.0° |
| CAO | CAP | CAQ | NAR | 5.8° | 180.0° |
| CAO | CAP | CAQ | OAS | 173.6° | 0.0° |
| CAP | CAQ | NAR | OAS | 179.5° | 179.9° |
| CAP | CAQ | NAR | OAT | 171.2° | 180.0° |
| CAQ | CAP | CAO | HAO | 3.8° | 0.0° |
| CAP | CAQ | NAR | HNAR | 8.8° | 0.1° |
| CAQ | NAR | OAT | HNAR | 180.0° | 179.9° |
| NAR | CAQ | CAP | HAP | 174.2° | 0.0° |
| CAQ | NAR | OAT | HOAT | 4.9° | 179.9° |
| OAS | CAQ | NAR | OAT | 9.3° | 0.1° |
| OAS | CAQ | CAP | HAP | 6.4° | 179.9° |
| OAS | CAQ | NAR | HNAR | 170.7° | 180.0° |
| HAA | CAA | CAB | HAB | 0.2° | 0.3° |
| HAA | CAA | CAF | HAF | 0.5° | 0.2° |
| HAB | CAB | CAC | HAC | 0.2° | 0.1° |
| HAC | CAC | CAD | HAD | 0.6° | 0.1° |
| HAJ | CAJ | CAK | HAK | 2.1° | 0.0° |
| HAM | CAM | CAN | HAN | 0.3° | 0.1° |
| HAO | CAO | CAP | HAP | 176.2° | 180.0° |
| HNAR | NAR | OAT | HOAT | 175.1° | 0.0° |
