2RB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | OAO | sing | 1.43Å | 1.43Å | |
| OAO | CAR | sing | 1.36Å | 1.36Å | |
| CAR | CAI | doub | 1.39Å | 1.39Å | Aromatic |
| CAR | CAH | sing | 1.39Å | 1.39Å | Aromatic |
| CAI | CAK | sing | 1.38Å | 1.39Å | Aromatic |
| CAK | CAV | doub | 1.40Å | 1.39Å | Aromatic |
| CAH | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAV | sing | 1.40Å | 1.39Å | Aromatic |
| CAV | CAP | sing | 1.48Å | 1.53Å | |
| CAP | OAB | doub | 1.22Å | 1.23Å | |
| CAP | NAN | sing | 1.35Å | 1.33Å | |
| NAN | NAM | sing | 1.40Å | 1.23Å | |
| NAM | CAG | doub | 1.30Å | 1.32Å | |
| CAG | CAS | sing | 1.47Å | 1.39Å | |
| CAS | CAL | doub | 1.40Å | 1.39Å | Aromatic |
| CAS | CAU | sing | 1.40Å | 1.39Å | Aromatic |
| CAL | CAQ | sing | 1.38Å | 1.39Å | Aromatic |
| CAQ | BRAE | sing | 1.89Å | 1.89Å | |
| CAQ | CAT | doub | 1.39Å | 1.39Å | Aromatic |
| CAT | OAC | sing | 1.36Å | 1.36Å | |
| CAT | CAW | sing | 1.39Å | 1.39Å | Aromatic |
| CAW | BRAF | sing | 1.89Å | 1.89Å | |
| CAW | CAU | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | OAD | sing | 1.36Å | 1.36Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | 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 | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | OAO | CAR | 109.8° | 117.0° |
| OAO | CAA | HAA | 109.5° | 109.5° |
| OAO | CAA | HAAA | 109.4° | 109.4° |
| OAO | CAA | HAAB | 109.5° | 109.5° |
| OAO | CAR | CAI | 120.6° | 119.9° |
| OAO | CAR | CAH | 119.5° | 119.9° |
| CAI | CAR | CAH | 119.9° | 120.2° |
| CAR | CAI | CAK | 120.4° | 120.1° |
| CAR | CAI | HAI | 119.8° | 120.0° |
| CAR | CAH | CAJ | 119.8° | 120.1° |
| CAR | CAH | HAH | 120.1° | 120.0° |
| CAI | CAK | CAV | 119.5° | 119.9° |
| CAK | CAI | HAI | 119.8° | 119.9° |
| CAI | CAK | HAK | 120.2° | 120.0° |
| CAK | CAV | CAJ | 120.1° | 119.8° |
| CAK | CAV | CAP | 122.0° | 120.1° |
| CAV | CAK | HAK | 120.2° | 120.1° |
| CAH | CAJ | CAV | 120.3° | 119.9° |
| CAJ | CAH | HAH | 120.1° | 119.9° |
| CAH | CAJ | HAJ | 119.8° | 120.1° |
| CAJ | CAV | CAP | 117.8° | 120.1° |
| CAV | CAJ | HAJ | 119.9° | 120.0° |
| CAV | CAP | OAB | 118.9° | 120.0° |
| CAV | CAP | NAN | 116.8° | 120.0° |
| OAB | CAP | NAN | 124.3° | 120.0° |
| CAP | NAN | NAM | 120.7° | 120.0° |
| CAP | NAN | HNAN | 119.6° | 120.0° |
| NAN | NAM | CAG | 119.8° | 120.0° |
| NAM | NAN | HNAN | 119.6° | 120.0° |
| NAM | CAG | CAS | 123.4° | 120.0° |
| NAM | CAG | HAG | 118.3° | 120.0° |
| CAG | CAS | CAL | 121.0° | 120.1° |
| CAG | CAS | CAU | 118.7° | 120.1° |
| CAS | CAG | HAG | 118.3° | 120.0° |
| CAL | CAS | CAU | 120.0° | 119.8° |
| CAS | CAL | CAQ | 119.5° | 119.9° |
| CAS | CAL | HAL | 120.3° | 120.0° |
| CAS | CAU | CAW | 120.3° | 119.8° |
| CAS | CAU | OAD | 119.9° | 120.1° |
| CAL | CAQ | BRAE | 120.7° | 119.9° |
| CAL | CAQ | CAT | 120.6° | 120.2° |
| CAQ | CAL | HAL | 120.2° | 120.1° |
| BRAE | CAQ | CAT | 118.7° | 119.9° |
| CAQ | CAT | OAC | 120.0° | 119.9° |
| CAQ | CAT | CAW | 119.8° | 120.2° |
| OAC | CAT | CAW | 120.1° | 119.9° |
| CAT | OAC | HOAC | 109.5° | 114.0° |
| CAT | CAW | BRAF | 119.5° | 120.0° |
| CAT | CAW | CAU | 119.8° | 120.1° |
| BRAF | CAW | CAU | 120.6° | 120.0° |
| CAW | CAU | OAD | 119.8° | 120.1° |
| CAU | OAD | HOAD | 109.5° | 114.0° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.4° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | OAO | CAR | CAI | 148.8° | 180.0° |
| CAA | OAO | CAR | CAH | 31.5° | 0.3° |
| OAO | CAA | HAA | HAAA | 120.0° | 119.9° |
| OAO | CAA | HAA | HAAB | 120.0° | 120.0° |
| OAO | CAA | HAAA | HAAB | 120.0° | 120.0° |
| OAO | CAR | CAI | CAH | 179.7° | 179.7° |
| OAO | CAR | CAI | CAK | 179.4° | 180.0° |
| OAO | CAR | CAH | CAJ | 179.3° | 180.0° |
| CAR | OAO | CAA | HAA | 98.6° | 60.1° |
| CAR | OAO | CAA | HAAA | 21.4° | 180.0° |
| CAR | OAO | CAA | HAAB | 141.4° | 60.0° |
| OAO | CAR | CAI | HAI | 0.6° | 0.1° |
| OAO | CAR | CAH | HAH | 0.7° | 0.0° |
| CAR | CAI | CAK | HAI | 180.0° | 179.9° |
| CAR | CAI | CAK | CAV | 0.2° | 0.0° |
| CAI | CAR | CAH | CAJ | 0.3° | 0.3° |
| CAR | CAI | CAK | HAK | 179.8° | 180.0° |
| CAI | CAR | CAH | HAH | 179.7° | 179.7° |
| CAH | CAR | CAI | CAK | 0.3° | 0.3° |
| CAR | CAH | CAJ | HAH | 180.0° | 180.0° |
| CAR | CAH | CAJ | CAV | 0.0° | 0.0° |
| CAH | CAR | CAI | HAI | 179.7° | 179.7° |
| CAR | CAH | CAJ | HAJ | 180.0° | 179.9° |
| CAI | CAK | CAV | HAK | 180.0° | 180.0° |
| CAI | CAK | CAV | CAJ | 0.5° | 0.3° |
| CAI | CAK | CAV | CAP | 177.2° | 180.0° |
| CAK | CAV | CAJ | CAH | 0.5° | 0.3° |
| CAK | CAV | CAJ | CAP | 177.9° | 179.7° |
| CAK | CAV | CAP | OAB | 163.1° | 0.0° |
| CAK | CAV | CAP | NAN | 15.4° | 180.0° |
| CAV | CAK | CAI | HAI | 179.9° | 180.0° |
| CAK | CAV | CAJ | HAJ | 179.5° | 179.8° |
| CAH | CAJ | CAV | HAJ | 180.0° | 179.9° |
| CAH | CAJ | CAV | CAP | 177.4° | 180.0° |
| CAJ | CAV | CAP | OAB | 14.7° | 179.7° |
| CAJ | CAV | CAP | NAN | 166.8° | 0.3° |
| CAJ | CAV | CAK | HAK | 179.5° | 179.7° |
| CAV | CAJ | CAH | HAH | 180.0° | 180.0° |
| CAV | CAP | OAB | NAN | 178.4° | 180.0° |
| CAV | CAP | NAN | NAM | 179.6° | 180.0° |
| CAP | CAV | CAK | HAK | 2.8° | 0.0° |
| CAP | CAV | CAJ | HAJ | 2.6° | 0.1° |
| CAV | CAP | NAN | HNAN | 0.4° | 0.0° |
| OAB | CAP | NAN | NAM | 1.2° | 0.0° |
| OAB | CAP | NAN | HNAN | 178.8° | 180.0° |
| CAP | NAN | NAM | HNAN | 180.0° | 180.0° |
| CAP | NAN | NAM | CAG | 0.4° | 180.0° |
| NAN | NAM | CAG | CAS | 179.0° | 180.0° |
| NAN | NAM | CAG | HAG | 1.0° | 0.0° |
| NAM | CAG | CAS | HAG | 180.0° | 179.9° |
| NAM | CAG | CAS | CAL | 5.8° | 180.0° |
| NAM | CAG | CAS | CAU | 179.8° | 0.2° |
| CAG | NAM | NAN | HNAN | 179.5° | 0.0° |
| CAG | CAS | CAL | CAU | 174.3° | 179.8° |
| CAG | CAS | CAL | CAQ | 173.4° | 180.0° |
| CAG | CAS | CAU | CAW | 173.7° | 179.7° |
| CAG | CAS | CAU | OAD | 7.4° | 0.0° |
| CAG | CAS | CAL | HAL | 6.5° | 0.0° |
| CAS | CAL | CAQ | HAL | 180.0° | 179.9° |
| CAS | CAL | CAQ | BRAE | 176.8° | 180.0° |
| CAS | CAL | CAQ | CAT | 0.4° | 0.0° |
| CAL | CAS | CAU | CAW | 0.7° | 0.5° |
| CAL | CAS | CAU | OAD | 178.2° | 179.8° |
| CAL | CAS | CAG | HAG | 174.1° | 0.0° |
| CAU | CAS | CAL | CAQ | 0.8° | 0.3° |
| CAS | CAU | CAW | CAT | 0.1° | 0.5° |
| CAS | CAU | CAW | BRAF | 179.8° | 179.8° |
| CAS | CAU | CAW | OAD | 178.9° | 179.7° |
| CAU | CAS | CAG | HAG | 0.2° | 179.7° |
| CAU | CAS | CAL | HAL | 179.2° | 179.8° |
| CAS | CAU | OAD | HOAD | 127.4° | 90.0° |
| CAL | CAQ | BRAE | CAT | 177.3° | 179.9° |
| CAL | CAQ | CAT | OAC | 178.5° | 180.0° |
| CAL | CAQ | CAT | CAW | 0.2° | 0.0° |
| BRAE | CAQ | CAT | OAC | 1.2° | 0.0° |
| BRAE | CAQ | CAT | CAW | 177.5° | 180.0° |
| BRAE | CAQ | CAL | HAL | 3.1° | 0.1° |
| CAQ | CAT | OAC | CAW | 178.7° | 180.0° |
| CAQ | CAT | CAW | BRAF | 179.4° | 179.9° |
| CAQ | CAT | CAW | CAU | 0.4° | 0.3° |
| CAT | CAQ | CAL | HAL | 179.7° | 180.0° |
| CAQ | CAT | OAC | HOAC | 50.5° | 90.0° |
| OAC | CAT | CAW | BRAF | 1.9° | 0.1° |
| OAC | CAT | CAW | CAU | 178.4° | 179.7° |
| CAT | CAW | BRAF | CAU | 179.7° | 179.7° |
| CAT | CAW | CAU | OAD | 178.8° | 179.8° |
| CAW | CAT | OAC | HOAC | 130.7° | 90.0° |
| BRAF | CAW | CAU | OAD | 0.9° | 0.1° |
| CAW | CAU | OAD | HOAD | 53.7° | 89.7° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.1° |
| HAI | CAI | CAK | HAK | 0.1° | 0.0° |
| HAH | CAH | CAJ | HAJ | 0.0° | 0.1° |
