6BD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAQ | CAS | doub | 1.40Å | 1.45Å | Aromatic |
| CAH | CAQ | sing | 1.39Å | 1.48Å | Aromatic |
| CAH | CAD | doub | 1.38Å | 1.38Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAD | CAF | sing | 1.38Å | 1.45Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAF | CAJ | doub | 1.38Å | 1.47Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAS | CAJ | sing | 1.39Å | 1.44Å | Aromatic |
| CAT | CAS | sing | 1.48Å | 1.39Å | Aromatic |
| CAT | CAK | sing | 1.39Å | 1.47Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAG | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAE | CAG | sing | 1.38Å | 1.42Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAI | CAE | doub | 1.38Å | 1.46Å | Aromatic |
| CAI | CAR | sing | 1.39Å | 1.40Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAR | CAT | doub | 1.40Å | 1.37Å | Aromatic |
| CAP | CAQ | sing | 1.48Å | 1.36Å | |
| CAP | CAR | sing | 1.48Å | 1.47Å | |
| NAM | CAP | doub | 1.30Å | 1.41Å | |
| OAN | NAM | sing | 1.42Å | 1.27Å | |
| CAL | OAN | sing | 1.43Å | 1.44Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HALA | sing | 1.09Å | 1.10Å | |
| CAU | CAL | sing | 1.53Å | 1.49Å | |
| CAU | CAO | sing | 1.51Å | 1.52Å | |
| CAU | HAU | sing | 1.09Å | 1.10Å | |
| CAA | CAU | sing | 1.53Å | 1.57Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAO | OAB | sing | 1.34Å | 1.29Å | |
| OAC | CAO | doub | 1.21Å | 1.26Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAS | CAQ | CAH | 123.2° | 119.9° |
| CAQ | CAS | CAJ | 123.8° | 119.5° |
| CAQ | CAS | CAT | 110.1° | 108.7° |
| CAS | CAQ | CAP | 107.2° | 107.8° |
| CAQ | CAH | CAD | 113.9° | 119.9° |
| CAQ | CAH | HAH | 123.0° | 120.1° |
| CAH | CAQ | CAP | 129.7° | 132.3° |
| CAD | CAH | HAH | 123.0° | 120.1° |
| CAH | CAD | CAF | 122.9° | 120.3° |
| CAH | CAD | HAD | 118.6° | 119.9° |
| CAF | CAD | HAD | 118.6° | 119.8° |
| CAD | CAF | CAJ | 125.6° | 120.5° |
| CAD | CAF | HAF | 117.2° | 119.8° |
| CAJ | CAF | HAF | 117.2° | 119.8° |
| CAF | CAJ | HAJ | 124.7° | 120.0° |
| CAF | CAJ | CAS | 110.6° | 120.0° |
| HAJ | CAJ | CAS | 124.7° | 120.0° |
| CAJ | CAS | CAT | 126.0° | 131.8° |
| CAS | CAT | CAK | 132.1° | 131.8° |
| CAS | CAT | CAR | 106.0° | 108.7° |
| CAT | CAK | HAK | 120.3° | 120.0° |
| CAT | CAK | CAG | 119.4° | 120.0° |
| CAK | CAT | CAR | 121.9° | 119.4° |
| HAK | CAK | CAG | 120.3° | 120.0° |
| CAK | CAG | HAG | 121.0° | 119.8° |
| CAK | CAG | CAE | 118.0° | 120.4° |
| HAG | CAG | CAE | 121.0° | 119.8° |
| CAG | CAE | HAE | 118.7° | 119.8° |
| CAG | CAE | CAI | 122.5° | 120.3° |
| HAE | CAE | CAI | 118.8° | 119.9° |
| CAE | CAI | CAR | 118.1° | 119.9° |
| CAE | CAI | HAI | 121.0° | 120.0° |
| CAR | CAI | HAI | 121.0° | 120.0° |
| CAI | CAR | CAT | 120.1° | 119.9° |
| CAI | CAR | CAP | 129.5° | 132.3° |
| CAT | CAR | CAP | 110.4° | 107.8° |
| CAQ | CAP | CAR | 106.2° | 107.0° |
| CAQ | CAP | NAM | 125.2° | 126.5° |
| CAR | CAP | NAM | 128.6° | 126.5° |
| CAP | NAM | OAN | 126.4° | 120.0° |
| NAM | OAN | CAL | 112.4° | 114.0° |
| OAN | CAL | HAL | 104.3° | 109.5° |
| OAN | CAL | HALA | 100.3° | 109.4° |
| OAN | CAL | CAU | 126.2° | 109.5° |
| HAL | CAL | HALA | 123.8° | 109.4° |
| HAL | CAL | CAU | 104.3° | 109.5° |
| HALA | CAL | CAU | 100.3° | 109.5° |
| CAL | CAU | CAO | 105.4° | 109.5° |
| CAL | CAU | HAU | 112.3° | 109.5° |
| CAL | CAU | CAA | 112.1° | 109.5° |
| CAO | CAU | HAU | 110.0° | 109.4° |
| CAO | CAU | CAA | 114.2° | 109.5° |
| CAU | CAO | OAB | 119.9° | 120.0° |
| CAU | CAO | OAC | 113.3° | 120.0° |
| HAU | CAU | CAA | 103.1° | 109.5° |
| CAU | CAA | HAA | 109.5° | 109.5° |
| CAU | CAA | HAAA | 109.4° | 109.5° |
| CAU | CAA | HAAB | 109.4° | 109.5° |
| HAA | CAA | HAAA | 109.5° | 109.4° |
| HAA | CAA | HAAB | 109.4° | 109.4° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| OAB | CAO | OAC | 126.8° | 120.0° |
| CAO | OAB | HOAB | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAS | CAQ | CAH | CAP | 179.6° | 179.7° |
| CAS | CAQ | CAH | CAD | 0.1° | 0.0° |
| CAS | CAQ | CAH | HAH | 179.9° | 180.0° |
| CAQ | CAS | CAJ | CAF | 0.2° | 0.0° |
| CAQ | CAS | CAJ | HAJ | 179.8° | 180.0° |
| CAQ | CAS | CAJ | CAT | 179.7° | 180.0° |
| CAQ | CAS | CAT | CAK | 179.5° | 180.0° |
| CAQ | CAS | CAT | CAR | 0.0° | 0.0° |
| CAS | CAQ | CAP | CAR | 0.6° | 0.4° |
| CAS | CAQ | CAP | NAM | 179.7° | 180.0° |
| CAQ | CAH | CAD | HAH | 180.0° | 180.0° |
| CAQ | CAH | CAD | CAF | 0.1° | 0.0° |
| CAQ | CAH | CAD | HAD | 179.8° | 180.0° |
| CAH | CAQ | CAS | CAJ | 0.1° | 0.0° |
| CAH | CAQ | CAS | CAT | 179.9° | 180.0° |
| CAH | CAQ | CAP | CAR | 179.7° | 179.9° |
| CAH | CAQ | CAP | NAM | 0.1° | 0.3° |
| CAH | CAD | CAF | HAD | 180.0° | 180.0° |
| CAH | CAD | CAF | CAJ | 0.2° | 0.0° |
| CAH | CAD | CAF | HAF | 179.8° | 180.0° |
| CAD | CAH | CAQ | CAP | 179.7° | 179.7° |
| HAH | CAH | CAD | CAF | 179.9° | 180.0° |
| HAH | CAH | CAD | HAD | 0.2° | 0.0° |
| HAH | CAH | CAQ | CAP | 0.3° | 0.3° |
| CAD | CAF | CAJ | HAF | 180.0° | 180.0° |
| CAD | CAF | CAJ | HAJ | 179.8° | 180.0° |
| CAD | CAF | CAJ | CAS | 0.2° | 0.0° |
| HAD | CAD | CAF | CAJ | 179.8° | 180.0° |
| HAD | CAD | CAF | HAF | 0.2° | 0.0° |
| CAF | CAJ | HAJ | CAS | 180.0° | 180.0° |
| CAF | CAJ | CAS | CAT | 179.9° | 180.0° |
| HAF | CAF | CAJ | HAJ | 0.2° | 0.0° |
| HAF | CAF | CAJ | CAS | 179.8° | 180.0° |
| HAJ | CAJ | CAS | CAT | 0.1° | 0.0° |
| CAJ | CAS | CAT | CAK | 0.2° | 0.1° |
| CAJ | CAS | CAT | CAR | 179.8° | 180.0° |
| CAJ | CAS | CAQ | CAP | 179.8° | 179.8° |
| CAS | CAT | CAK | CAR | 179.5° | 179.9° |
| CAS | CAT | CAK | HAK | 0.5° | 0.1° |
| CAS | CAT | CAK | CAG | 179.5° | 180.0° |
| CAS | CAT | CAR | CAI | 179.5° | 180.0° |
| CAT | CAS | CAQ | CAP | 0.4° | 0.3° |
| CAS | CAT | CAR | CAP | 0.4° | 0.2° |
| CAT | CAK | HAK | CAG | 180.0° | 179.9° |
| CAT | CAK | CAG | HAG | 179.9° | 180.0° |
| CAT | CAK | CAG | CAE | 0.1° | 0.0° |
| CAK | CAT | CAR | CAI | 0.1° | 0.0° |
| CAK | CAT | CAR | CAP | 180.0° | 179.7° |
| HAK | CAK | CAG | HAG | 0.1° | 0.1° |
| HAK | CAK | CAG | CAE | 179.9° | 179.9° |
| HAK | CAK | CAT | CAR | 180.0° | 179.9° |
| CAK | CAG | HAG | CAE | 180.0° | 180.0° |
| CAK | CAG | CAE | HAE | 180.0° | 180.0° |
| CAK | CAG | CAE | CAI | 0.0° | 0.0° |
| CAG | CAK | CAT | CAR | 0.0° | 0.0° |
| HAG | CAG | CAE | HAE | 0.0° | 0.0° |
| HAG | CAG | CAE | CAI | 180.0° | 180.0° |
| CAG | CAE | HAE | CAI | 180.0° | 180.0° |
| CAG | CAE | CAI | CAR | 0.1° | 0.1° |
| CAG | CAE | CAI | HAI | 179.9° | 180.0° |
| HAE | CAE | CAI | CAR | 179.9° | 180.0° |
| HAE | CAE | CAI | HAI | 0.1° | 0.0° |
| CAE | CAI | CAR | HAI | 180.0° | 180.0° |
| CAE | CAI | CAR | CAT | 0.2° | 0.1° |
| CAE | CAI | CAR | CAP | 180.0° | 179.6° |
| CAI | CAR | CAT | CAP | 179.9° | 179.8° |
| CAI | CAR | CAP | CAQ | 179.2° | 179.9° |
| CAI | CAR | CAP | NAM | 0.4° | 0.3° |
| HAI | CAI | CAR | CAT | 179.9° | 180.0° |
| HAI | CAI | CAR | CAP | 0.0° | 0.3° |
| CAT | CAR | CAP | CAQ | 0.7° | 0.4° |
| CAT | CAR | CAP | NAM | 179.7° | 180.0° |
| CAQ | CAP | CAR | NAM | 179.6° | 179.6° |
| CAQ | CAP | NAM | OAN | 170.3° | 180.0° |
| CAR | CAP | NAM | OAN | 9.3° | 0.4° |
| CAP | NAM | OAN | CAL | 153.7° | 180.0° |
| NAM | OAN | CAL | HAL | 18.4° | 60.0° |
| NAM | OAN | CAL | HALA | 110.6° | 60.0° |
| NAM | OAN | CAL | CAU | 138.4° | 180.0° |
| OAN | CAL | HAL | HALA | 113.1° | 119.9° |
| OAN | CAL | HAL | CAU | 133.8° | 120.0° |
| OAN | CAL | HALA | CAU | 130.0° | 120.0° |
| OAN | CAL | CAU | CAO | 3.1° | 175.0° |
| OAN | CAL | CAU | HAU | 116.6° | 55.1° |
| OAN | CAL | CAU | CAA | 128.0° | 64.9° |
| HAL | CAL | HALA | CAU | 115.0° | 120.0° |
| HAL | CAL | CAU | CAO | 116.9° | 54.9° |
| HAL | CAL | CAU | HAU | 123.4° | 65.0° |
| HAL | CAL | CAU | CAA | 8.0° | 175.0° |
| HALA | CAL | CAU | CAO | 114.1° | 65.0° |
| HALA | CAL | CAU | HAU | 5.6° | 175.0° |
| HALA | CAL | CAU | CAA | 121.0° | 55.0° |
| CAL | CAU | CAO | HAU | 121.2° | 119.9° |
| CAL | CAU | CAO | CAA | 123.5° | 120.0° |
| CAL | CAU | HAU | CAA | 120.8° | 120.0° |
| CAL | CAU | CAA | HAA | 127.9° | 60.0° |
| CAL | CAU | CAA | HAAA | 112.0° | 60.0° |
| CAL | CAU | CAA | HAAB | 8.0° | 180.0° |
| CAL | CAU | CAO | OAB | 32.9° | 180.0° |
| CAL | CAU | CAO | OAC | 146.9° | 0.0° |
| CAO | CAU | HAU | CAA | 122.2° | 120.0° |
| CAO | CAU | CAA | HAA | 112.2° | 60.0° |
| CAO | CAU | CAA | HAAA | 7.8° | 180.0° |
| CAO | CAU | CAA | HAAB | 127.8° | 60.0° |
| CAU | CAO | OAB | OAC | 179.7° | 180.0° |
| CAU | CAO | OAB | HOAB | 179.7° | 180.0° |
| HAU | CAU | CAA | HAA | 7.0° | 180.0° |
| HAU | CAU | CAA | HAAA | 127.0° | 60.0° |
| HAU | CAU | CAA | HAAB | 112.9° | 60.0° |
| HAU | CAU | CAO | OAB | 154.2° | 60.0° |
| HAU | CAU | CAO | OAC | 25.6° | 120.0° |
| CAU | CAA | HAA | HAAA | 120.0° | 120.1° |
| CAU | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAU | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAU | CAO | OAB | 90.6° | 60.0° |
| CAA | CAU | CAO | OAC | 89.7° | 120.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 119.9° |
| OAC | CAO | OAB | HOAB | 0.0° | 0.0° |
