06R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FAA | CAB | sing | 1.40Å | 1.46Å | |
| CAB | FAC | sing | 1.40Å | 1.42Å | |
| CAB | FAD | sing | 1.40Å | 1.38Å | |
| CAB | CAE | sing | 1.51Å | 1.46Å | |
| CAE | CAF | doub | 1.38Å | 1.41Å | Aromatic |
| CAE | CAJ | sing | 1.38Å | 1.41Å | Aromatic |
| CAF | CAG | sing | 1.38Å | 1.42Å | Aromatic |
| CAG | CAH | doub | 1.40Å | 1.41Å | Aromatic |
| CAH | CAI | sing | 1.40Å | 1.41Å | Aromatic |
| CAH | CAK | sing | 1.48Å | 1.44Å | |
| CAI | CAJ | doub | 1.38Å | 1.41Å | Aromatic |
| CAK | NAL | doub | 1.31Å | 1.36Å | |
| CAK | NAU | sing | 1.37Å | 1.44Å | |
| NAL | CAM | sing | 1.35Å | 1.36Å | |
| CAM | CAN | doub | 1.40Å | 1.40Å | Aromatic |
| CAM | CAR | sing | 1.41Å | 1.43Å | Aromatic |
| CAN | CAO | sing | 1.38Å | 1.41Å | Aromatic |
| CAO | CAP | doub | 1.39Å | 1.40Å | Aromatic |
| CAP | CAQ | sing | 1.38Å | 1.41Å | Aromatic |
| CAQ | CAR | doub | 1.39Å | 1.38Å | Aromatic |
| CAR | CAS | sing | 1.47Å | 1.40Å | |
| CAS | OAT | doub | 1.22Å | 1.24Å | |
| CAS | NAU | sing | 1.35Å | 1.40Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| NAU | HNAU | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FAA | CAB | FAC | 110.7° | 109.5° |
| FAA | CAB | FAD | 104.5° | 109.5° |
| FAA | CAB | CAE | 110.0° | 109.5° |
| FAC | CAB | FAD | 106.8° | 109.5° |
| FAC | CAB | CAE | 110.3° | 109.5° |
| FAD | CAB | CAE | 114.4° | 109.4° |
| CAB | CAE | CAF | 122.9° | 119.8° |
| CAB | CAE | CAJ | 120.8° | 119.9° |
| CAF | CAE | CAJ | 116.3° | 120.3° |
| CAE | CAF | CAG | 122.1° | 120.2° |
| CAE | CAF | HAF | 118.9° | 119.9° |
| CAE | CAJ | CAI | 122.1° | 120.2° |
| CAE | CAJ | HAJ | 119.0° | 119.9° |
| CAF | CAG | CAH | 121.2° | 119.8° |
| CAG | CAF | HAF | 118.9° | 119.9° |
| CAF | CAG | HAG | 119.4° | 120.1° |
| CAG | CAH | CAI | 116.5° | 119.7° |
| CAG | CAH | CAK | 120.7° | 120.1° |
| CAH | CAG | HAG | 119.4° | 120.1° |
| CAI | CAH | CAK | 122.7° | 120.2° |
| CAH | CAI | CAJ | 121.9° | 119.8° |
| CAH | CAI | HAI | 119.1° | 120.1° |
| CAH | CAK | NAL | 119.5° | 118.5° |
| CAH | CAK | NAU | 122.2° | 118.4° |
| CAJ | CAI | HAI | 119.1° | 120.1° |
| CAI | CAJ | HAJ | 119.0° | 119.9° |
| NAL | CAK | NAU | 118.2° | 123.1° |
| CAK | NAL | CAM | 121.0° | 121.7° |
| CAK | NAU | CAS | 122.4° | 120.4° |
| CAK | NAU | HNAU | 118.8° | 119.8° |
| NAL | CAM | CAN | 116.9° | 121.5° |
| NAL | CAM | CAR | 121.7° | 119.1° |
| CAN | CAM | CAR | 121.4° | 119.3° |
| CAM | CAN | CAO | 118.9° | 119.7° |
| CAM | CAN | HAN | 120.5° | 120.1° |
| CAM | CAR | CAQ | 119.2° | 120.0° |
| CAM | CAR | CAS | 119.3° | 118.2° |
| CAN | CAO | CAP | 119.1° | 120.8° |
| CAO | CAN | HAN | 120.6° | 120.2° |
| CAN | CAO | HAO | 120.5° | 119.6° |
| CAO | CAP | CAQ | 122.2° | 120.6° |
| CAP | CAO | HAO | 120.4° | 119.6° |
| CAO | CAP | HAP | 118.9° | 119.7° |
| CAP | CAQ | CAR | 119.2° | 119.5° |
| CAQ | CAP | HAP | 118.9° | 119.7° |
| CAP | CAQ | HAQ | 120.4° | 120.2° |
| CAQ | CAR | CAS | 121.5° | 121.8° |
| CAR | CAQ | HAQ | 120.4° | 120.2° |
| CAR | CAS | OAT | 123.9° | 121.2° |
| CAR | CAS | NAU | 117.3° | 117.5° |
| OAT | CAS | NAU | 118.7° | 121.2° |
| CAS | NAU | HNAU | 118.8° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FAA | CAB | FAC | FAD | 113.2° | 120.0° |
| FAA | CAB | FAC | CAE | 122.0° | 120.0° |
| FAA | CAB | FAD | CAE | 120.3° | 120.0° |
| FAA | CAB | CAE | CAF | 107.2° | 90.0° |
| FAA | CAB | CAE | CAJ | 72.4° | 90.3° |
| FAC | CAB | FAD | CAE | 122.3° | 120.0° |
| FAC | CAB | CAE | CAF | 130.4° | 30.0° |
| FAC | CAB | CAE | CAJ | 50.0° | 149.7° |
| FAD | CAB | CAE | CAF | 10.0° | 150.0° |
| FAD | CAB | CAE | CAJ | 170.4° | 29.7° |
| CAB | CAE | CAF | CAJ | 179.6° | 179.7° |
| CAB | CAE | CAF | CAG | 179.6° | 180.0° |
| CAB | CAE | CAJ | CAI | 179.0° | 179.8° |
| CAB | CAE | CAF | HAF | 0.4° | 0.0° |
| CAB | CAE | CAJ | HAJ | 1.0° | 0.1° |
| CAE | CAF | CAG | HAF | 180.0° | 179.9° |
| CAE | CAF | CAG | CAH | 1.8° | 0.0° |
| CAF | CAE | CAJ | CAI | 0.6° | 0.5° |
| CAE | CAF | CAG | HAG | 178.2° | 180.0° |
| CAF | CAE | CAJ | HAJ | 179.4° | 179.8° |
| CAJ | CAE | CAF | CAG | 0.8° | 0.2° |
| CAE | CAJ | CAI | CAH | 1.0° | 0.5° |
| CAE | CAJ | CAI | HAJ | 180.0° | 179.7° |
| CAJ | CAE | CAF | HAF | 179.3° | 179.7° |
| CAE | CAJ | CAI | HAI | 179.0° | 179.7° |
| CAF | CAG | CAH | HAG | 180.0° | 179.9° |
| CAF | CAG | CAH | CAI | 1.4° | 0.0° |
| CAF | CAG | CAH | CAK | 179.6° | 179.9° |
| CAG | CAH | CAI | CAK | 178.1° | 180.0° |
| CAG | CAH | CAI | CAJ | 0.0° | 0.2° |
| CAG | CAH | CAK | NAL | 7.2° | 0.0° |
| CAG | CAH | CAK | NAU | 174.8° | 179.7° |
| CAH | CAG | CAF | HAF | 178.2° | 180.0° |
| CAG | CAH | CAI | HAI | 180.0° | 180.0° |
| CAH | CAI | CAJ | HAI | 180.0° | 179.8° |
| CAI | CAH | CAK | NAL | 170.8° | 180.0° |
| CAI | CAH | CAK | NAU | 7.1° | 0.3° |
| CAI | CAH | CAG | HAG | 178.6° | 180.0° |
| CAH | CAI | CAJ | HAJ | 179.0° | 179.8° |
| CAK | CAH | CAI | CAJ | 178.2° | 179.8° |
| CAH | CAK | NAL | NAU | 178.0° | 179.7° |
| CAH | CAK | NAL | CAM | 179.0° | 180.0° |
| CAH | CAK | NAU | CAS | 179.1° | 179.7° |
| CAK | CAH | CAG | HAG | 0.4° | 0.0° |
| CAK | CAH | CAI | HAI | 1.9° | 0.0° |
| CAH | CAK | NAU | HNAU | 1.0° | 0.0° |
| CAK | NAL | CAM | CAN | 179.8° | 180.0° |
| CAK | NAL | CAM | CAR | 0.5° | 0.0° |
| NAL | CAK | NAU | CAS | 1.1° | 0.6° |
| NAL | CAK | NAU | HNAU | 178.9° | 179.7° |
| NAU | CAK | NAL | CAM | 1.0° | 0.3° |
| CAK | NAU | CAS | CAR | 0.7° | 0.6° |
| CAK | NAU | CAS | OAT | 178.1° | 179.8° |
| CAK | NAU | CAS | HNAU | 180.0° | 179.7° |
| NAL | CAM | CAN | CAR | 179.7° | 180.0° |
| NAL | CAM | CAN | CAO | 178.6° | 180.0° |
| NAL | CAM | CAR | CAQ | 179.2° | 180.0° |
| NAL | CAM | CAR | CAS | 0.0° | 0.0° |
| NAL | CAM | CAN | HAN | 1.5° | 0.0° |
| CAM | CAN | CAO | HAN | 180.0° | 180.0° |
| CAM | CAN | CAO | CAP | 0.1° | 0.0° |
| CAN | CAM | CAR | CAQ | 0.5° | 0.0° |
| CAN | CAM | CAR | CAS | 179.7° | 180.0° |
| CAM | CAN | CAO | HAO | 179.9° | 180.0° |
| CAR | CAM | CAN | CAO | 1.1° | 0.0° |
| CAM | CAR | CAQ | CAP | 1.1° | 0.0° |
| CAM | CAR | CAQ | CAS | 179.2° | 180.0° |
| CAM | CAR | CAS | OAT | 178.6° | 180.0° |
| CAM | CAR | CAS | NAU | 0.1° | 0.3° |
| CAR | CAM | CAN | HAN | 178.8° | 180.0° |
| CAM | CAR | CAQ | HAQ | 178.9° | 180.0° |
| CAN | CAO | CAP | HAO | 180.0° | 180.0° |
| CAN | CAO | CAP | CAQ | 1.6° | 0.0° |
| CAN | CAO | CAP | HAP | 178.4° | 180.0° |
| CAO | CAP | CAQ | HAP | 180.0° | 180.0° |
| CAO | CAP | CAQ | CAR | 2.2° | 0.0° |
| CAP | CAO | CAN | HAN | 179.9° | 180.0° |
| CAO | CAP | CAQ | HAQ | 177.8° | 180.0° |
| CAP | CAQ | CAR | HAQ | 180.0° | 180.0° |
| CAP | CAQ | CAR | CAS | 178.0° | 180.0° |
| CAQ | CAP | CAO | HAO | 178.4° | 180.0° |
| CAQ | CAR | CAS | OAT | 2.2° | 0.0° |
| CAQ | CAR | CAS | NAU | 179.0° | 179.7° |
| CAR | CAQ | CAP | HAP | 177.8° | 180.0° |
| CAR | CAS | OAT | NAU | 178.7° | 179.7° |
| CAS | CAR | CAQ | HAQ | 2.0° | 0.0° |
| CAR | CAS | NAU | HNAU | 179.4° | 179.7° |
| OAT | CAS | NAU | HNAU | 1.8° | 0.0° |
| HAF | CAF | CAG | HAG | 1.8° | 0.1° |
| HAI | CAI | CAJ | HAJ | 1.0° | 0.0° |
| HAN | CAN | CAO | HAO | 0.1° | 0.1° |
| HAO | CAO | CAP | HAP | 1.6° | 0.0° |
| HAP | CAP | CAQ | HAQ | 2.2° | 0.0° |
