6X1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | CAA | doub | 1.40Å | 1.39Å | Aromatic |
| NAC | CAA | sing | 1.39Å | 1.33Å | |
| CAA | CAD | sing | 1.39Å | 1.39Å | Aromatic |
| CAF | CAB | sing | 1.47Å | 1.53Å | |
| CAB | CAE | sing | 1.40Å | 1.39Å | Aromatic |
| NAC | CAG | sing | 1.35Å | 1.33Å | |
| NAC | HNAC | sing | 0.97Å | 1.00Å | |
| CAD | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| OAJ | CAF | doub | 1.22Å | 1.25Å | |
| OAK | CAF | sing | 1.35Å | 1.25Å | |
| NAL | CAG | sing | 1.35Å | 1.33Å | |
| CAG | OAM | doub | 1.22Å | 1.23Å | |
| CAI | CAH | sing | 1.39Å | 1.39Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| OAK | HOAK | sing | 0.97Å | 0.95Å | |
| NAL | CAN | sing | 1.40Å | 1.33Å | |
| NAL | HNAL | sing | 0.97Å | 1.00Å | |
| CAO | CAN | doub | 1.39Å | 1.39Å | Aromatic |
| CAN | CAP | sing | 1.39Å | 1.39Å | Aromatic |
| CAO | CAQ | sing | 1.38Å | 1.39Å | Aromatic |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAP | CAR | doub | 1.38Å | 1.39Å | Aromatic |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CLAT | CAQ | sing | 1.74Å | 1.73Å | |
| CAQ | CAS | doub | 1.38Å | 1.39Å | Aromatic |
| CAS | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAR | CLAU | sing | 1.74Å | 1.73Å | |
| CAS | HAS | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAA | NAC | 118.5° | 120.1° |
| CAB | CAA | CAD | 119.3° | 119.7° |
| CAA | CAB | CAF | 120.3° | 120.2° |
| CAA | CAB | CAE | 120.3° | 119.6° |
| NAC | CAA | CAD | 122.2° | 120.2° |
| CAA | NAC | CAG | 126.3° | 120.0° |
| CAA | NAC | HNAC | 116.8° | 120.0° |
| CAA | CAD | CAH | 120.5° | 120.1° |
| CAA | CAD | HAD | 119.7° | 120.0° |
| CAF | CAB | CAE | 119.4° | 120.2° |
| CAB | CAF | OAJ | 118.0° | 120.1° |
| CAB | CAF | OAK | 118.2° | 120.0° |
| CAB | CAE | CAI | 120.2° | 119.9° |
| CAB | CAE | HAE | 119.9° | 120.0° |
| CAG | NAC | HNAC | 116.9° | 120.0° |
| NAC | CAG | NAL | 115.2° | 120.0° |
| NAC | CAG | OAM | 122.3° | 120.0° |
| CAH | CAD | HAD | 119.8° | 120.0° |
| CAD | CAH | CAI | 120.0° | 120.5° |
| CAD | CAH | HAH | 120.0° | 119.8° |
| CAI | CAE | HAE | 119.9° | 120.1° |
| CAE | CAI | CAH | 119.7° | 120.3° |
| CAE | CAI | HAI | 120.2° | 119.8° |
| OAJ | CAF | OAK | 123.8° | 120.0° |
| CAF | OAK | HOAK | 109.5° | 117.0° |
| NAL | CAG | OAM | 122.4° | 120.0° |
| CAG | NAL | CAN | 126.6° | 120.0° |
| CAG | NAL | HNAL | 116.7° | 120.0° |
| CAI | CAH | HAH | 120.0° | 119.7° |
| CAH | CAI | HAI | 120.1° | 119.9° |
| CAN | NAL | HNAL | 116.7° | 120.0° |
| NAL | CAN | CAO | 117.8° | 120.1° |
| NAL | CAN | CAP | 122.8° | 120.0° |
| CAO | CAN | CAP | 119.1° | 119.9° |
| CAN | CAO | CAQ | 120.7° | 120.0° |
| CAN | CAO | HAO | 119.6° | 120.0° |
| CAN | CAP | CAR | 120.4° | 119.9° |
| CAN | CAP | HAP | 119.8° | 120.0° |
| CAQ | CAO | HAO | 119.6° | 120.0° |
| CAO | CAQ | CLAT | 120.2° | 120.0° |
| CAO | CAQ | CAS | 119.8° | 120.0° |
| CAR | CAP | HAP | 119.8° | 120.0° |
| CAP | CAR | CAS | 120.1° | 120.1° |
| CAP | CAR | CLAU | 120.9° | 120.0° |
| CLAT | CAQ | CAS | 119.9° | 120.0° |
| CAQ | CAS | CAR | 119.8° | 120.1° |
| CAQ | CAS | HAS | 120.1° | 119.9° |
| CAS | CAR | CLAU | 119.0° | 120.0° |
| CAR | CAS | HAS | 120.1° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAA | NAC | CAD | 179.6° | 179.6° |
| CAA | CAB | CAF | CAE | 177.8° | 180.0° |
| CAB | CAA | NAC | CAG | 176.9° | 144.5° |
| CAB | CAA | NAC | HNAC | 3.1° | 35.6° |
| CAB | CAA | CAD | CAH | 0.4° | 0.1° |
| CAB | CAA | CAD | HAD | 179.6° | 180.0° |
| CAA | CAB | CAE | CAI | 0.2° | 0.1° |
| CAA | CAB | CAE | HAE | 179.8° | 180.0° |
| CAA | CAB | CAF | OAJ | 157.7° | 4.9° |
| CAA | CAB | CAF | OAK | 22.8° | 175.1° |
| NAC | CAA | CAB | CAF | 1.3° | 0.3° |
| NAC | CAA | CAB | CAE | 179.1° | 179.7° |
| CAA | NAC | CAG | HNAC | 180.0° | 179.9° |
| NAC | CAA | CAD | CAH | 179.1° | 179.7° |
| NAC | CAA | CAD | HAD | 0.9° | 0.3° |
| CAA | NAC | CAG | NAL | 179.9° | 175.4° |
| CAA | NAC | CAG | OAM | 1.0° | 4.4° |
| CAD | CAA | CAB | CAF | 178.3° | 180.0° |
| CAD | CAA | CAB | CAE | 0.5° | 0.1° |
| CAD | CAA | NAC | CAG | 2.7° | 35.2° |
| CAD | CAA | NAC | HNAC | 177.3° | 144.7° |
| CAA | CAD | CAH | HAD | 180.0° | 180.0° |
| CAA | CAD | CAH | CAI | 0.0° | 0.0° |
| CAA | CAD | CAH | HAH | 180.0° | 180.0° |
| CAF | CAB | CAE | CAI | 178.0° | 180.0° |
| CAF | CAB | CAE | HAE | 2.0° | 0.1° |
| CAB | CAF | OAJ | OAK | 179.4° | 180.0° |
| CAB | CAF | OAK | HOAK | 179.4° | 180.0° |
| CAB | CAE | CAI | HAE | 180.0° | 179.9° |
| CAE | CAB | CAF | OAJ | 20.1° | 175.0° |
| CAE | CAB | CAF | OAK | 159.4° | 4.9° |
| CAB | CAE | CAI | CAH | 0.2° | 0.0° |
| CAB | CAE | CAI | HAI | 179.7° | 179.9° |
| NAC | CAG | NAL | OAM | 178.9° | 179.9° |
| NAC | CAG | NAL | CAN | 177.0° | 174.0° |
| NAC | CAG | NAL | HNAL | 3.0° | 6.1° |
| HNAC | NAC | CAG | NAL | 0.1° | 4.7° |
| HNAC | NAC | CAG | OAM | 179.0° | 175.5° |
| CAD | CAH | CAI | CAE | 0.3° | 0.0° |
| CAD | CAH | CAI | HAH | 180.0° | 180.0° |
| CAD | CAH | CAI | HAI | 179.7° | 180.0° |
| HAD | CAD | CAH | CAI | 180.0° | 180.0° |
| HAD | CAD | CAH | HAH | 0.0° | 0.0° |
| CAE | CAI | CAH | HAI | 180.0° | 180.0° |
| CAE | CAI | CAH | HAH | 179.7° | 180.0° |
| HAE | CAE | CAI | CAH | 179.8° | 179.9° |
| HAE | CAE | CAI | HAI | 0.3° | 0.0° |
| OAJ | CAF | OAK | HOAK | 0.0° | 0.0° |
| CAG | NAL | CAN | HNAL | 180.0° | 180.0° |
| CAG | NAL | CAN | CAO | 177.7° | 154.0° |
| CAG | NAL | CAN | CAP | 8.9° | 26.2° |
| OAM | CAG | NAL | CAN | 4.2° | 5.9° |
| OAM | CAG | NAL | HNAL | 175.9° | 174.1° |
| HAH | CAH | CAI | HAI | 0.3° | 0.1° |
| NAL | CAN | CAO | CAP | 173.7° | 179.7° |
| NAL | CAN | CAO | CAQ | 173.9° | 180.0° |
| NAL | CAN | CAO | HAO | 6.1° | 0.0° |
| NAL | CAN | CAP | CAR | 173.1° | 180.0° |
| NAL | CAN | CAP | HAP | 6.9° | 0.0° |
| HNAL | NAL | CAN | CAO | 2.4° | 25.9° |
| HNAL | NAL | CAN | CAP | 171.1° | 153.8° |
| CAN | CAO | CAQ | HAO | 180.0° | 180.0° |
| CAO | CAN | CAP | CAR | 0.3° | 0.2° |
| CAO | CAN | CAP | HAP | 179.7° | 179.7° |
| CAN | CAO | CAQ | CLAT | 177.2° | 180.0° |
| CAN | CAO | CAQ | CAS | 0.6° | 0.0° |
| CAP | CAN | CAO | CAQ | 0.2° | 0.2° |
| CAP | CAN | CAO | HAO | 179.8° | 179.7° |
| CAN | CAP | CAR | HAP | 180.0° | 180.0° |
| CAN | CAP | CAR | CAS | 0.4° | 0.0° |
| CAN | CAP | CAR | CLAU | 179.6° | 180.0° |
| CAO | CAQ | CLAT | CAS | 177.7° | 180.0° |
| CAO | CAQ | CAS | CAR | 0.4° | 0.3° |
| CAO | CAQ | CAS | HAS | 179.6° | 179.9° |
| HAO | CAO | CAQ | CLAT | 2.8° | 0.0° |
| HAO | CAO | CAQ | CAS | 179.5° | 180.0° |
| CAP | CAR | CAS | CAQ | 0.1° | 0.3° |
| CAP | CAR | CAS | CLAU | 180.0° | 179.9° |
| CAP | CAR | CAS | HAS | 179.9° | 180.0° |
| HAP | CAP | CAR | CAS | 179.5° | 180.0° |
| HAP | CAP | CAR | CLAU | 0.5° | 0.0° |
| CLAT | CAQ | CAS | CAR | 177.3° | 179.7° |
| CLAT | CAQ | CAS | HAS | 2.6° | 0.0° |
| CAQ | CAS | CAR | HAS | 180.0° | 179.8° |
| CAQ | CAS | CAR | CLAU | 179.9° | 179.8° |
| CLAU | CAR | CAS | HAS | 0.1° | 0.0° |
