DX8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | OAM | sing | 1.43Å | 1.46Å | |
| OAM | CAO | sing | 1.36Å | 1.37Å | |
| CAO | CAG | doub | 1.39Å | 1.40Å | Aromatic |
| CAO | CAF | sing | 1.39Å | 1.41Å | Aromatic |
| CAG | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| CAI | CAP | doub | 1.40Å | 1.41Å | Aromatic |
| CAF | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAH | CAP | sing | 1.40Å | 1.40Å | Aromatic |
| CAP | CAR | sing | 1.47Å | 1.40Å | Aromatic |
| CAR | NAL | sing | 1.37Å | 1.34Å | Aromatic |
| CAR | CAQ | doub | 1.39Å | 1.41Å | Aromatic |
| NAL | CAT | sing | 1.37Å | 1.33Å | Aromatic |
| CAT | NAJ | sing | 1.34Å | 1.34Å | |
| CAT | CAU | doub | 1.40Å | 1.41Å | Aromatic |
| NAJ | CAN | doub | 1.31Å | 1.34Å | |
| CAN | NAC | sing | 1.37Å | 1.32Å | |
| CAN | NAK | sing | 1.36Å | 1.41Å | |
| NAK | CAS | sing | 1.35Å | 1.40Å | |
| CAS | OAD | doub | 1.22Å | 1.24Å | |
| CAS | CAU | sing | 1.41Å | 1.41Å | |
| CAU | CAQ | sing | 1.47Å | 1.40Å | Aromatic |
| CAQ | CAE | sing | 1.43Å | 1.44Å | |
| CAE | NAB | trip | 1.14Å | 1.14Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| NAL | HNAL | sing | 0.97Å | 1.00Å | |
| NAC | HNAC | sing | 0.97Å | 1.00Å | |
| NAC | 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) |
| CAA | OAM | CAO | 119.2° | 117.0° |
| OAM | CAA | HAA | 109.5° | 109.4° |
| OAM | CAA | HAAA | 109.5° | 109.5° |
| OAM | CAA | HAAB | 109.5° | 109.5° |
| OAM | CAO | CAG | 122.1° | 119.9° |
| OAM | CAO | CAF | 118.5° | 119.9° |
| CAG | CAO | CAF | 119.4° | 120.2° |
| CAO | CAG | CAI | 119.4° | 120.1° |
| CAO | CAG | HAG | 120.3° | 120.0° |
| CAO | CAF | CAH | 120.9° | 120.1° |
| CAO | CAF | HAF | 119.5° | 119.9° |
| CAG | CAI | CAP | 121.6° | 119.9° |
| CAI | CAG | HAG | 120.3° | 119.9° |
| CAG | CAI | HAI | 119.2° | 120.1° |
| CAI | CAP | CAH | 118.7° | 119.8° |
| CAI | CAP | CAR | 116.9° | 120.1° |
| CAP | CAI | HAI | 119.2° | 120.0° |
| CAF | CAH | CAP | 119.9° | 119.9° |
| CAH | CAF | HAF | 119.5° | 120.0° |
| CAF | CAH | HAH | 120.0° | 120.0° |
| CAH | CAP | CAR | 124.2° | 120.1° |
| CAP | CAH | HAH | 120.0° | 120.1° |
| CAP | CAR | NAL | 124.6° | 125.6° |
| CAP | CAR | CAQ | 127.7° | 125.6° |
| NAL | CAR | CAQ | 107.5° | 108.8° |
| CAR | NAL | CAT | 110.7° | 110.6° |
| CAR | NAL | HNAL | 124.7° | 124.7° |
| CAR | CAQ | CAU | 107.4° | 106.0° |
| CAR | CAQ | CAE | 128.0° | 127.0° |
| NAL | CAT | NAJ | 130.1° | 132.9° |
| NAL | CAT | CAU | 108.8° | 108.1° |
| CAT | NAL | HNAL | 124.6° | 124.8° |
| NAJ | CAT | CAU | 121.1° | 119.1° |
| CAT | NAJ | CAN | 121.0° | 121.2° |
| CAT | CAU | CAS | 119.4° | 119.2° |
| CAT | CAU | CAQ | 105.6° | 106.5° |
| NAJ | CAN | NAC | 119.1° | 118.9° |
| NAJ | CAN | NAK | 120.7° | 122.1° |
| NAC | CAN | NAK | 120.2° | 118.9° |
| CAN | NAC | HNAC | 110.5° | 120.0° |
| CAN | NAC | HNAA | 124.7° | 120.0° |
| CAN | NAK | CAS | 120.0° | 120.1° |
| CAN | NAK | HNAK | 120.0° | 119.9° |
| NAK | CAS | OAD | 119.2° | 120.9° |
| NAK | CAS | CAU | 117.7° | 118.2° |
| CAS | NAK | HNAK | 120.0° | 119.9° |
| OAD | CAS | CAU | 123.1° | 120.9° |
| CAS | CAU | CAQ | 134.9° | 134.3° |
| CAU | CAQ | CAE | 124.6° | 127.0° |
| CAQ | CAE | NAB | 179.9° | 179.9° |
| HAA | CAA | HAAA | 109.4° | 109.5° |
| HAA | CAA | HAAB | 109.4° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| HNAC | NAC | HNAA | 124.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | OAM | CAO | CAG | 40.4° | 180.0° |
| CAA | OAM | CAO | CAF | 141.3° | 0.2° |
| OAM | CAA | HAA | HAAA | 120.0° | 120.0° |
| OAM | CAA | HAA | HAAB | 120.0° | 119.9° |
| OAM | CAA | HAAA | HAAB | 120.0° | 120.0° |
| OAM | CAO | CAG | CAF | 178.2° | 179.8° |
| OAM | CAO | CAG | CAI | 179.1° | 180.0° |
| OAM | CAO | CAF | CAH | 178.9° | 180.0° |
| CAO | OAM | CAA | HAA | 166.0° | 60.1° |
| CAO | OAM | CAA | HAAA | 74.0° | 60.0° |
| CAO | OAM | CAA | HAAB | 46.0° | 180.0° |
| OAM | CAO | CAG | HAG | 0.9° | 0.0° |
| OAM | CAO | CAF | HAF | 1.1° | 0.0° |
| CAO | CAG | CAI | HAG | 180.0° | 180.0° |
| CAO | CAG | CAI | CAP | 2.2° | 0.0° |
| CAG | CAO | CAF | CAH | 0.6° | 0.3° |
| CAO | CAG | CAI | HAI | 177.8° | 180.0° |
| CAG | CAO | CAF | HAF | 179.4° | 179.8° |
| CAF | CAO | CAG | CAI | 0.8° | 0.2° |
| CAO | CAF | CAH | HAF | 180.0° | 180.0° |
| CAO | CAF | CAH | CAP | 1.7° | 0.0° |
| CAF | CAO | CAG | HAG | 179.2° | 179.7° |
| CAO | CAF | CAH | HAH | 178.3° | 179.9° |
| CAG | CAI | CAP | HAI | 180.0° | 180.0° |
| CAG | CAI | CAP | CAH | 3.2° | 0.3° |
| CAG | CAI | CAP | CAR | 178.1° | 180.0° |
| CAI | CAP | CAH | CAF | 3.0° | 0.3° |
| CAI | CAP | CAH | CAR | 174.5° | 179.7° |
| CAI | CAP | CAR | NAL | 15.3° | 45.0° |
| CAI | CAP | CAR | CAQ | 159.7° | 135.3° |
| CAP | CAI | CAG | HAG | 177.8° | 180.0° |
| CAI | CAP | CAH | HAH | 177.1° | 179.7° |
| CAF | CAH | CAP | HAH | 180.0° | 179.9° |
| CAF | CAH | CAP | CAR | 177.5° | 180.0° |
| CAH | CAP | CAR | NAL | 170.0° | 134.7° |
| CAH | CAP | CAR | CAQ | 14.9° | 45.0° |
| CAH | CAP | CAI | HAI | 176.8° | 179.7° |
| CAP | CAH | CAF | HAF | 178.3° | 180.0° |
| CAP | CAR | NAL | CAQ | 175.9° | 179.8° |
| CAP | CAR | NAL | CAT | 176.6° | 180.0° |
| CAP | CAR | CAQ | CAU | 176.4° | 179.9° |
| CAP | CAR | CAQ | CAE | 4.4° | 0.0° |
| CAR | CAP | CAI | HAI | 1.9° | 0.0° |
| CAR | CAP | CAH | HAH | 2.5° | 0.1° |
| CAP | CAR | NAL | HNAL | 3.4° | 0.0° |
| CAR | NAL | CAT | HNAL | 180.0° | 180.0° |
| CAR | NAL | CAT | NAJ | 179.8° | 180.0° |
| CAR | NAL | CAT | CAU | 0.5° | 0.0° |
| NAL | CAR | CAQ | CAU | 0.7° | 0.4° |
| NAL | CAR | CAQ | CAE | 179.9° | 179.8° |
| CAQ | CAR | NAL | CAT | 0.8° | 0.2° |
| CAR | CAQ | CAU | CAT | 0.4° | 0.4° |
| CAR | CAQ | CAU | CAS | 179.2° | 180.0° |
| CAR | CAQ | CAU | CAE | 179.2° | 179.9° |
| CAR | CAQ | CAE | NAB | 103.0° | 5.7° |
| CAQ | CAR | NAL | HNAL | 179.2° | 179.8° |
| NAL | CAT | NAJ | CAU | 179.6° | 180.0° |
| NAL | CAT | NAJ | CAN | 179.9° | 180.0° |
| NAL | CAT | CAU | CAS | 179.7° | 180.0° |
| NAL | CAT | CAU | CAQ | 0.1° | 0.2° |
| CAT | NAJ | CAN | NAC | 179.7° | 180.0° |
| CAT | NAJ | CAN | NAK | 0.3° | 0.0° |
| NAJ | CAT | CAU | CAS | 0.6° | 0.1° |
| NAJ | CAT | CAU | CAQ | 179.8° | 179.8° |
| NAJ | CAT | NAL | HNAL | 0.2° | 0.0° |
| CAU | CAT | NAJ | CAN | 0.2° | 0.1° |
| CAT | CAU | CAS | NAK | 0.3° | 0.1° |
| CAT | CAU | CAS | OAD | 179.7° | 180.0° |
| CAT | CAU | CAS | CAQ | 179.5° | 179.6° |
| CAT | CAU | CAQ | CAE | 179.6° | 179.7° |
| CAU | CAT | NAL | HNAL | 179.5° | 180.0° |
| NAJ | CAN | NAC | NAK | 180.0° | 180.0° |
| NAJ | CAN | NAK | CAS | 0.6° | 0.0° |
| NAJ | CAN | NAC | HNAC | 180.0° | 0.1° |
| NAJ | CAN | NAC | HNAA | 0.0° | 180.0° |
| NAJ | CAN | NAK | HNAK | 179.4° | 180.0° |
| NAC | CAN | NAK | CAS | 179.4° | 180.0° |
| CAN | NAC | HNAC | HNAA | 180.0° | 179.9° |
| NAC | CAN | NAK | HNAK | 0.6° | 0.0° |
| CAN | NAK | CAS | HNAK | 180.0° | 180.0° |
| CAN | NAK | CAS | OAD | 179.2° | 179.9° |
| CAN | NAK | CAS | CAU | 0.2° | 0.0° |
| NAK | CAN | NAC | HNAC | 0.0° | 179.9° |
| NAK | CAN | NAC | HNAA | 180.0° | 0.0° |
| NAK | CAS | OAD | CAU | 179.4° | 179.9° |
| NAK | CAS | CAU | CAQ | 179.9° | 179.7° |
| OAD | CAS | CAU | CAQ | 0.7° | 0.4° |
| OAD | CAS | NAK | HNAK | 0.8° | 0.1° |
| CAS | CAU | CAQ | CAE | 0.1° | 0.1° |
| CAU | CAS | NAK | HNAK | 179.8° | 180.0° |
| CAU | CAQ | CAE | NAB | 76.1° | 174.4° |
| HAA | CAA | HAAA | HAAB | 119.9° | 120.0° |
| HAG | CAG | CAI | HAI | 2.2° | 0.0° |
| HAF | CAF | CAH | HAH | 1.7° | 0.1° |
