2BE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAJ | CAH | doub | 1.38Å | 1.38Å | Aromatic |
| CAJ | CAT | sing | 1.40Å | 1.39Å | Aromatic |
| CAH | CAP | sing | 1.39Å | 1.38Å | Aromatic |
| CAP | CLAD | sing | 1.74Å | 1.72Å | |
| CAP | CAI | doub | 1.39Å | 1.38Å | Aromatic |
| CAI | CAK | sing | 1.38Å | 1.39Å | Aromatic |
| CAK | CAT | doub | 1.40Å | 1.38Å | Aromatic |
| CAT | CAO | sing | 1.48Å | 1.52Å | |
| CAO | OAA | doub | 1.22Å | 1.23Å | |
| CAO | NAN | sing | 1.35Å | 1.34Å | |
| NAN | NAM | sing | 1.40Å | 1.23Å | |
| NAM | CAG | doub | 1.30Å | 1.32Å | |
| CAG | CAU | sing | 1.47Å | 1.39Å | |
| CAU | CAL | doub | 1.40Å | 1.39Å | Aromatic |
| CAU | CAR | sing | 1.40Å | 1.39Å | Aromatic |
| CAL | CAS | sing | 1.38Å | 1.39Å | Aromatic |
| CAS | BRAE | sing | 1.89Å | 1.88Å | |
| CAS | CAQ | doub | 1.39Å | 1.39Å | Aromatic |
| CAQ | OAB | sing | 1.36Å | 1.35Å | |
| CAQ | CAV | sing | 1.39Å | 1.39Å | Aromatic |
| CAV | BRAF | sing | 1.89Å | 1.90Å | |
| CAV | CAR | doub | 1.38Å | 1.39Å | Aromatic |
| CAR | OAC | sing | 1.36Å | 1.36Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| NAN | HNAN | sing | 0.97Å | 1.00Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAH | CAJ | CAT | 120.8° | 119.9° |
| CAJ | CAH | CAP | 119.2° | 120.1° |
| CAH | CAJ | HAJ | 119.6° | 120.0° |
| CAJ | CAH | HAH | 120.4° | 119.9° |
| CAJ | CAT | CAK | 119.8° | 119.8° |
| CAJ | CAT | CAO | 119.9° | 120.1° |
| CAT | CAJ | HAJ | 119.6° | 120.1° |
| CAH | CAP | CLAD | 120.2° | 119.9° |
| CAH | CAP | CAI | 120.2° | 120.3° |
| CAP | CAH | HAH | 120.4° | 119.9° |
| CLAD | CAP | CAI | 119.7° | 119.9° |
| CAP | CAI | CAK | 120.5° | 120.1° |
| CAP | CAI | HAI | 119.7° | 120.0° |
| CAI | CAK | CAT | 119.5° | 119.8° |
| CAK | CAI | HAI | 119.8° | 119.9° |
| CAI | CAK | HAK | 120.3° | 120.1° |
| CAK | CAT | CAO | 120.3° | 120.1° |
| CAT | CAK | HAK | 120.2° | 120.1° |
| CAT | CAO | OAA | 117.5° | 120.0° |
| CAT | CAO | NAN | 118.3° | 120.0° |
| OAA | CAO | NAN | 124.1° | 120.0° |
| CAO | NAN | NAM | 120.5° | 120.0° |
| CAO | NAN | HNAN | 119.7° | 120.0° |
| NAN | NAM | CAG | 118.5° | 120.1° |
| NAM | NAN | HNAN | 119.8° | 120.0° |
| NAM | CAG | CAU | 126.1° | 120.1° |
| NAM | CAG | HAG | 117.0° | 120.0° |
| CAG | CAU | CAL | 121.4° | 120.1° |
| CAG | CAU | CAR | 118.9° | 120.1° |
| CAU | CAG | HAG | 117.0° | 120.0° |
| CAL | CAU | CAR | 119.6° | 119.8° |
| CAU | CAL | CAS | 120.0° | 119.9° |
| CAU | CAL | HAL | 120.0° | 120.0° |
| CAU | CAR | CAV | 120.7° | 119.8° |
| CAU | CAR | OAC | 120.4° | 120.2° |
| CAL | CAS | BRAE | 120.6° | 119.9° |
| CAL | CAS | CAQ | 119.7° | 120.2° |
| CAS | CAL | HAL | 120.0° | 120.1° |
| BRAE | CAS | CAQ | 119.7° | 119.9° |
| CAS | CAQ | OAB | 120.2° | 119.9° |
| CAS | CAQ | CAV | 120.7° | 120.3° |
| OAB | CAQ | CAV | 119.1° | 119.8° |
| CAQ | OAB | HOAB | 109.5° | 114.0° |
| CAQ | CAV | BRAF | 120.1° | 120.0° |
| CAQ | CAV | CAR | 119.3° | 120.0° |
| BRAF | CAV | CAR | 120.6° | 120.0° |
| CAV | CAR | OAC | 118.9° | 120.1° |
| CAR | OAC | HOAC | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAH | CAJ | CAT | HAJ | 180.0° | 179.7° |
| CAJ | CAH | CAP | HAH | 180.0° | 179.9° |
| CAJ | CAH | CAP | CLAD | 180.0° | 180.0° |
| CAJ | CAH | CAP | CAI | 0.2° | 0.1° |
| CAH | CAJ | CAT | CAK | 1.4° | 0.0° |
| CAH | CAJ | CAT | CAO | 178.2° | 180.0° |
| CAT | CAJ | CAH | CAP | 1.0° | 0.1° |
| CAJ | CAT | CAK | CAI | 0.9° | 0.0° |
| CAJ | CAT | CAK | CAO | 176.8° | 180.0° |
| CAJ | CAT | CAO | OAA | 60.7° | 0.0° |
| CAJ | CAT | CAO | NAN | 122.7° | 179.9° |
| CAT | CAJ | CAH | HAH | 179.0° | 180.0° |
| CAJ | CAT | CAK | HAK | 179.1° | 179.9° |
| CAH | CAP | CLAD | CAI | 179.8° | 179.9° |
| CAH | CAP | CAI | CAK | 0.2° | 0.0° |
| CAP | CAH | CAJ | HAJ | 179.0° | 179.8° |
| CAH | CAP | CAI | HAI | 179.8° | 180.0° |
| CLAD | CAP | CAI | CAK | 179.5° | 180.0° |
| CLAD | CAP | CAH | HAH | 0.0° | 0.1° |
| CLAD | CAP | CAI | HAI | 0.5° | 0.1° |
| CAP | CAI | CAK | HAI | 180.0° | 180.0° |
| CAP | CAI | CAK | CAT | 0.1° | 0.0° |
| CAI | CAP | CAH | HAH | 179.8° | 180.0° |
| CAP | CAI | CAK | HAK | 179.9° | 179.9° |
| CAI | CAK | CAT | HAK | 180.0° | 179.9° |
| CAI | CAK | CAT | CAO | 177.7° | 180.0° |
| CAK | CAT | CAO | OAA | 116.1° | 180.0° |
| CAK | CAT | CAO | NAN | 60.5° | 0.1° |
| CAK | CAT | CAJ | HAJ | 178.6° | 179.7° |
| CAT | CAK | CAI | HAI | 179.9° | 180.0° |
| CAT | CAO | OAA | NAN | 176.4° | 179.9° |
| CAT | CAO | NAN | NAM | 178.2° | 180.0° |
| CAO | CAT | CAJ | HAJ | 1.8° | 0.3° |
| CAO | CAT | CAK | HAK | 2.3° | 0.1° |
| CAT | CAO | NAN | HNAN | 1.8° | 0.1° |
| OAA | CAO | NAN | NAM | 1.8° | 0.1° |
| OAA | CAO | NAN | HNAN | 178.2° | 180.0° |
| CAO | NAN | NAM | HNAN | 180.0° | 179.9° |
| CAO | NAN | NAM | CAG | 1.2° | 180.0° |
| NAN | NAM | CAG | CAU | 178.3° | 180.0° |
| NAN | NAM | CAG | HAG | 1.7° | 0.0° |
| NAM | CAG | CAU | HAG | 180.0° | 179.9° |
| NAM | CAG | CAU | CAL | 19.4° | 180.0° |
| NAM | CAG | CAU | CAR | 162.9° | 0.3° |
| CAG | NAM | NAN | HNAN | 178.8° | 0.1° |
| CAG | CAU | CAL | CAR | 177.7° | 179.7° |
| CAG | CAU | CAL | CAS | 178.5° | 180.0° |
| CAG | CAU | CAR | CAV | 178.6° | 179.7° |
| CAG | CAU | CAR | OAC | 1.8° | 0.0° |
| CAG | CAU | CAL | HAL | 1.5° | 0.1° |
| CAU | CAL | CAS | HAL | 180.0° | 180.0° |
| CAU | CAL | CAS | BRAE | 179.6° | 180.0° |
| CAU | CAL | CAS | CAQ | 0.4° | 0.0° |
| CAL | CAU | CAR | CAV | 0.9° | 0.6° |
| CAL | CAU | CAR | OAC | 179.6° | 179.7° |
| CAL | CAU | CAG | HAG | 160.6° | 0.1° |
| CAR | CAU | CAL | CAS | 0.8° | 0.3° |
| CAU | CAR | CAV | CAQ | 0.5° | 0.6° |
| CAU | CAR | CAV | BRAF | 179.6° | 179.7° |
| CAU | CAR | CAV | OAC | 179.5° | 179.7° |
| CAR | CAU | CAG | HAG | 17.1° | 179.7° |
| CAR | CAU | CAL | HAL | 179.2° | 179.7° |
| CAU | CAR | OAC | HOAC | 55.9° | 90.0° |
| CAL | CAS | BRAE | CAQ | 180.0° | 180.0° |
| CAL | CAS | CAQ | OAB | 179.9° | 180.0° |
| CAL | CAS | CAQ | CAV | 0.0° | 0.0° |
| BRAE | CAS | CAQ | OAB | 0.2° | 0.0° |
| BRAE | CAS | CAQ | CAV | 180.0° | 180.0° |
| BRAE | CAS | CAL | HAL | 0.4° | 0.0° |
| CAS | CAQ | OAB | CAV | 179.9° | 180.0° |
| CAS | CAQ | CAV | BRAF | 180.0° | 180.0° |
| CAS | CAQ | CAV | CAR | 0.1° | 0.3° |
| CAQ | CAS | CAL | HAL | 179.6° | 179.9° |
| CAS | CAQ | OAB | HOAB | 128.2° | 90.0° |
| OAB | CAQ | CAV | BRAF | 0.1° | 0.0° |
| OAB | CAQ | CAV | CAR | 179.8° | 179.7° |
| CAQ | CAV | BRAF | CAR | 179.9° | 179.7° |
| CAQ | CAV | CAR | OAC | 180.0° | 179.7° |
| CAV | CAQ | OAB | HOAB | 51.7° | 90.0° |
| BRAF | CAV | CAR | OAC | 0.0° | 0.0° |
| CAV | CAR | OAC | HOAC | 123.7° | 89.7° |
| HAJ | CAJ | CAH | HAH | 1.0° | 0.3° |
| HAI | CAI | CAK | HAK | 0.1° | 0.1° |
