DX7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAH | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAN | sing | 1.40Å | 1.40Å | Aromatic |
| CAF | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAI | CAN | doub | 1.40Å | 1.40Å | Aromatic |
| CAN | CAP | sing | 1.48Å | 1.41Å | Aromatic |
| CAP | NAL | sing | 1.37Å | 1.33Å | Aromatic |
| CAP | CAO | doub | 1.39Å | 1.39Å | Aromatic |
| NAL | CAR | sing | 1.37Å | 1.33Å | Aromatic |
| CAR | NAJ | sing | 1.34Å | 1.35Å | |
| CAR | CAS | doub | 1.40Å | 1.40Å | Aromatic |
| NAJ | CAM | doub | 1.31Å | 1.34Å | |
| CAM | NAB | sing | 1.37Å | 1.33Å | |
| CAM | NAK | sing | 1.36Å | 1.40Å | |
| NAK | CAQ | sing | 1.35Å | 1.39Å | |
| CAQ | OAC | doub | 1.22Å | 1.23Å | |
| CAQ | CAS | sing | 1.41Å | 1.39Å | |
| CAS | CAO | sing | 1.47Å | 1.39Å | Aromatic |
| CAO | CAD | sing | 1.43Å | 1.42Å | |
| CAD | NAA | trip | 1.14Å | 1.13Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| NAL | HNAL | sing | 0.97Å | 1.00Å | |
| NAB | HNAB | sing | 0.97Å | 1.00Å | |
| NAB | HNAA | sing | 0.97Å | 1.00Å | |
| NAK | HNAK | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAF | CAH | CAN | 120.5° | 119.8° |
| CAH | CAF | CAE | 120.5° | 120.1° |
| CAF | CAH | HAH | 119.8° | 120.0° |
| CAH | CAF | HAF | 119.8° | 119.9° |
| CAH | CAN | CAI | 118.3° | 119.7° |
| CAH | CAN | CAP | 123.0° | 120.1° |
| CAN | CAH | HAH | 119.7° | 120.1° |
| CAF | CAE | CAG | 119.5° | 120.3° |
| CAE | CAF | HAF | 119.8° | 119.9° |
| CAF | CAE | HAE | 120.3° | 119.8° |
| CAE | CAG | CAI | 120.0° | 120.2° |
| CAG | CAE | HAE | 120.2° | 119.9° |
| CAE | CAG | HAG | 120.0° | 119.9° |
| CAG | CAI | CAN | 121.2° | 119.9° |
| CAI | CAG | HAG | 120.0° | 119.9° |
| CAG | CAI | HAI | 119.4° | 120.1° |
| CAI | CAN | CAP | 118.6° | 120.2° |
| CAN | CAI | HAI | 119.4° | 120.0° |
| CAN | CAP | NAL | 126.3° | 125.6° |
| CAN | CAP | CAO | 126.7° | 125.6° |
| NAL | CAP | CAO | 106.9° | 108.9° |
| CAP | NAL | CAR | 111.1° | 110.6° |
| CAP | NAL | HNAL | 124.4° | 124.7° |
| CAP | CAO | CAS | 108.2° | 106.0° |
| CAP | CAO | CAD | 125.7° | 126.9° |
| NAL | CAR | NAJ | 130.8° | 133.0° |
| NAL | CAR | CAS | 108.2° | 108.0° |
| CAR | NAL | HNAL | 124.4° | 124.7° |
| NAJ | CAR | CAS | 121.0° | 119.0° |
| CAR | NAJ | CAM | 121.2° | 121.3° |
| CAR | CAS | CAQ | 119.4° | 119.2° |
| CAR | CAS | CAO | 105.5° | 106.5° |
| NAJ | CAM | NAB | 120.8° | 119.0° |
| NAJ | CAM | NAK | 119.9° | 122.1° |
| NAB | CAM | NAK | 119.3° | 119.0° |
| CAM | NAB | HNAB | 110.6° | 120.0° |
| CAM | NAB | HNAA | 124.7° | 120.0° |
| CAM | NAK | CAQ | 120.2° | 120.2° |
| CAM | NAK | HNAK | 119.9° | 119.9° |
| NAK | CAQ | OAC | 119.1° | 120.9° |
| NAK | CAQ | CAS | 118.3° | 118.2° |
| CAQ | NAK | HNAK | 119.9° | 119.9° |
| OAC | CAQ | CAS | 122.6° | 120.9° |
| CAQ | CAS | CAO | 135.1° | 134.2° |
| CAS | CAO | CAD | 126.1° | 127.0° |
| CAO | CAD | NAA | 178.1° | 179.9° |
| HNAB | NAB | HNAA | 124.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAF | CAH | CAN | HAH | 180.0° | 179.8° |
| CAH | CAF | CAE | HAF | 180.0° | 179.9° |
| CAH | CAF | CAE | CAG | 0.4° | 0.0° |
| CAF | CAH | CAN | CAI | 0.7° | 0.0° |
| CAF | CAH | CAN | CAP | 179.0° | 180.0° |
| CAH | CAF | CAE | HAE | 179.6° | 180.0° |
| CAN | CAH | CAF | CAE | 0.1° | 0.0° |
| CAH | CAN | CAI | CAG | 1.2° | 0.1° |
| CAH | CAN | CAI | CAP | 178.4° | 180.0° |
| CAH | CAN | CAP | NAL | 165.5° | 45.0° |
| CAH | CAN | CAP | CAO | 16.5° | 135.3° |
| CAN | CAH | CAF | HAF | 179.9° | 180.0° |
| CAH | CAN | CAI | HAI | 178.8° | 180.0° |
| CAF | CAE | CAG | HAE | 180.0° | 180.0° |
| CAF | CAE | CAG | CAI | 0.2° | 0.1° |
| CAE | CAF | CAH | HAH | 179.9° | 179.8° |
| CAF | CAE | CAG | HAG | 179.8° | 180.0° |
| CAE | CAG | CAI | HAG | 180.0° | 179.9° |
| CAE | CAG | CAI | CAN | 1.0° | 0.1° |
| CAG | CAE | CAF | HAF | 179.6° | 180.0° |
| CAE | CAG | CAI | HAI | 179.0° | 180.0° |
| CAG | CAI | CAN | HAI | 180.0° | 180.0° |
| CAG | CAI | CAN | CAP | 179.6° | 180.0° |
| CAI | CAG | CAE | HAE | 179.8° | 180.0° |
| CAI | CAN | CAP | NAL | 16.2° | 135.0° |
| CAI | CAN | CAP | CAO | 161.8° | 44.7° |
| CAI | CAN | CAH | HAH | 179.3° | 179.8° |
| CAN | CAI | CAG | HAG | 179.0° | 180.0° |
| CAN | CAP | NAL | CAO | 178.3° | 179.7° |
| CAN | CAP | NAL | CAR | 178.8° | 180.0° |
| CAN | CAP | CAO | CAS | 178.7° | 179.9° |
| CAN | CAP | CAO | CAD | 1.6° | 0.0° |
| CAP | CAN | CAH | HAH | 1.0° | 0.2° |
| CAP | CAN | CAI | HAI | 0.4° | 0.0° |
| CAN | CAP | NAL | HNAL | 1.2° | 0.0° |
| CAP | NAL | CAR | HNAL | 180.0° | 180.0° |
| CAP | NAL | CAR | NAJ | 179.9° | 180.0° |
| CAP | NAL | CAR | CAS | 0.4° | 0.0° |
| NAL | CAP | CAO | CAS | 0.4° | 0.4° |
| NAL | CAP | CAO | CAD | 179.9° | 179.8° |
| CAO | CAP | NAL | CAR | 0.5° | 0.2° |
| CAP | CAO | CAS | CAR | 0.2° | 0.4° |
| CAP | CAO | CAS | CAQ | 179.6° | 180.0° |
| CAP | CAO | CAS | CAD | 179.7° | 179.9° |
| CAP | CAO | CAD | NAA | 7.5° | 154.9° |
| CAO | CAP | NAL | HNAL | 179.5° | 179.7° |
| NAL | CAR | NAJ | CAS | 179.5° | 180.0° |
| NAL | CAR | NAJ | CAM | 179.7° | 180.0° |
| NAL | CAR | CAS | CAQ | 179.9° | 180.0° |
| NAL | CAR | CAS | CAO | 0.1° | 0.3° |
| CAR | NAJ | CAM | NAB | 179.9° | 180.0° |
| CAR | NAJ | CAM | NAK | 0.1° | 0.0° |
| NAJ | CAR | CAS | CAQ | 0.4° | 0.0° |
| NAJ | CAR | CAS | CAO | 179.7° | 179.7° |
| NAJ | CAR | NAL | HNAL | 0.0° | 0.0° |
| CAS | CAR | NAJ | CAM | 0.2° | 0.0° |
| CAR | CAS | CAQ | NAK | 0.4° | 0.0° |
| CAR | CAS | CAQ | OAC | 179.9° | 180.0° |
| CAR | CAS | CAQ | CAO | 179.8° | 179.6° |
| CAR | CAS | CAO | CAD | 179.9° | 179.8° |
| CAS | CAR | NAL | HNAL | 179.6° | 180.0° |
| NAJ | CAM | NAB | NAK | 179.8° | 180.0° |
| NAJ | CAM | NAK | CAQ | 0.1° | 0.0° |
| NAJ | CAM | NAB | HNAB | 180.0° | 0.1° |
| NAJ | CAM | NAB | HNAA | 0.0° | 180.0° |
| NAJ | CAM | NAK | HNAK | 179.9° | 180.0° |
| NAB | CAM | NAK | CAQ | 179.9° | 180.0° |
| CAM | NAB | HNAB | HNAA | 180.0° | 179.9° |
| NAB | CAM | NAK | HNAK | 0.2° | 0.1° |
| CAM | NAK | CAQ | HNAK | 180.0° | 180.0° |
| CAM | NAK | CAQ | OAC | 179.9° | 180.0° |
| CAM | NAK | CAQ | CAS | 0.2° | 0.0° |
| NAK | CAM | NAB | HNAB | 0.2° | 179.9° |
| NAK | CAM | NAB | HNAA | 179.8° | 0.0° |
| NAK | CAQ | OAC | CAS | 179.7° | 180.0° |
| NAK | CAQ | CAS | CAO | 179.8° | 179.6° |
| OAC | CAQ | CAS | CAO | 0.1° | 0.4° |
| OAC | CAQ | NAK | HNAK | 0.1° | 0.0° |
| CAQ | CAS | CAO | CAD | 0.1° | 0.1° |
| CAS | CAQ | NAK | HNAK | 179.8° | 179.9° |
| CAS | CAO | CAD | NAA | 172.2° | 25.3° |
| HAH | CAH | CAF | HAF | 0.1° | 0.3° |
| HAF | CAF | CAE | HAE | 0.4° | 0.1° |
| HAE | CAE | CAG | HAG | 0.2° | 0.1° |
| HAG | CAG | CAI | HAI | 1.0° | 0.1° |
