27F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | OAA | doub | 1.22Å | 1.25Å | |
| CAB | CAK | sing | 1.47Å | 1.41Å | |
| CAB | N | sing | 1.35Å | 1.38Å | |
| CAK | CAJ | sing | 1.39Å | 1.41Å | Aromatic |
| CAK | CAF | doub | 1.41Å | 1.41Å | Aromatic |
| CAJ | CAI | doub | 1.38Å | 1.41Å | Aromatic |
| CAI | CAH | sing | 1.39Å | 1.40Å | Aromatic |
| CAH | CAG | doub | 1.38Å | 1.40Å | Aromatic |
| CAG | CAF | sing | 1.40Å | 1.41Å | Aromatic |
| CAF | N1 | sing | 1.35Å | 1.33Å | |
| CAD | CAL | sing | 1.48Å | 1.40Å | |
| CAD | N | sing | 1.37Å | 1.36Å | |
| CAD | N1 | doub | 1.31Å | 1.36Å | |
| CAL | CAM | doub | 1.40Å | 1.41Å | Aromatic |
| CAL | CAQ | sing | 1.40Å | 1.39Å | Aromatic |
| CAM | CAN | sing | 1.38Å | 1.38Å | Aromatic |
| CAN | CAO | doub | 1.40Å | 1.38Å | Aromatic |
| CAO | CAR | sing | 1.43Å | 1.28Å | |
| CAO | CAP | sing | 1.40Å | 1.38Å | Aromatic |
| CAR | NAS | trip | 1.14Å | 1.15Å | |
| CAP | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
| N | H | sing | 0.97Å | 1.00Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAB | CAK | 122.4° | 121.2° |
| OAA | CAB | N | 118.4° | 121.3° |
| CAK | CAB | N | 119.1° | 117.5° |
| CAB | CAK | CAJ | 123.7° | 121.8° |
| CAB | CAK | CAF | 118.4° | 118.2° |
| CAB | N | CAD | 120.2° | 120.4° |
| CAB | N | H | 119.9° | 119.8° |
| CAJ | CAK | CAF | 117.9° | 120.0° |
| CAK | CAJ | CAI | 120.7° | 119.5° |
| CAK | CAJ | HAJ | 119.7° | 120.2° |
| CAK | CAF | CAG | 122.1° | 119.3° |
| CAK | CAF | N1 | 119.8° | 119.2° |
| CAJ | CAI | CAH | 120.4° | 120.6° |
| CAI | CAJ | HAJ | 119.7° | 120.2° |
| CAJ | CAI | HAI | 119.8° | 119.7° |
| CAI | CAH | CAG | 119.9° | 120.8° |
| CAH | CAI | HAI | 119.8° | 119.7° |
| CAI | CAH | HAH | 120.0° | 119.6° |
| CAH | CAG | CAF | 118.9° | 119.7° |
| CAG | CAH | HAH | 120.0° | 119.6° |
| CAH | CAG | HAG | 120.5° | 120.1° |
| CAG | CAF | N1 | 118.1° | 121.5° |
| CAF | CAG | HAG | 120.5° | 120.2° |
| CAF | N1 | CAD | 122.2° | 121.7° |
| CAL | CAD | N | 119.6° | 118.5° |
| CAL | CAD | N1 | 120.0° | 118.5° |
| CAD | CAL | CAM | 120.6° | 120.0° |
| CAD | CAL | CAQ | 120.6° | 120.0° |
| N | CAD | N1 | 120.3° | 123.0° |
| CAD | N | H | 120.0° | 119.8° |
| CAM | CAL | CAQ | 118.7° | 120.0° |
| CAL | CAM | CAN | 120.0° | 120.0° |
| CAL | CAM | HAM | 120.0° | 120.0° |
| CAL | CAQ | CAP | 121.0° | 120.0° |
| CAL | CAQ | HAQ | 119.5° | 120.0° |
| CAM | CAN | CAO | 120.3° | 120.0° |
| CAN | CAM | HAM | 120.0° | 120.0° |
| CAM | CAN | HAN | 119.9° | 120.0° |
| CAN | CAO | CAR | 121.3° | 120.0° |
| CAN | CAO | CAP | 120.6° | 120.0° |
| CAO | CAN | HAN | 119.9° | 120.0° |
| CAR | CAO | CAP | 118.0° | 120.0° |
| CAO | CAR | NAS | 178.6° | 180.0° |
| CAO | CAP | CAQ | 119.4° | 120.0° |
| CAO | CAP | HAP | 120.3° | 120.0° |
| CAP | CAQ | HAQ | 119.5° | 120.0° |
| CAQ | CAP | HAP | 120.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAB | CAK | N | 179.0° | 179.7° |
| OAA | CAB | CAK | CAJ | 0.7° | 0.0° |
| OAA | CAB | CAK | CAF | 176.6° | 180.0° |
| OAA | CAB | N | CAD | 177.5° | 179.9° |
| OAA | CAB | N | H | 2.5° | 0.1° |
| CAB | CAK | CAJ | CAF | 177.3° | 180.0° |
| CAB | CAK | CAJ | CAI | 178.8° | 180.0° |
| CAB | CAK | CAF | CAG | 177.9° | 180.0° |
| CAB | CAK | CAF | N1 | 3.8° | 0.1° |
| CAK | CAB | N | CAD | 3.4° | 0.2° |
| CAK | CAB | N | H | 176.5° | 179.6° |
| CAB | CAK | CAJ | HAJ | 1.2° | 0.0° |
| N | CAB | CAK | CAJ | 178.4° | 179.7° |
| N | CAB | CAK | CAF | 4.4° | 0.3° |
| CAB | N | CAD | CAL | 179.7° | 180.0° |
| CAB | N | CAD | H | 180.0° | 179.9° |
| CAB | N | CAD | N1 | 1.8° | 0.1° |
| CAK | CAJ | CAI | HAJ | 180.0° | 180.0° |
| CAK | CAJ | CAI | CAH | 2.4° | 0.1° |
| CAJ | CAK | CAF | CAG | 0.5° | 0.0° |
| CAJ | CAK | CAF | N1 | 178.8° | 180.0° |
| CAK | CAJ | CAI | HAI | 177.6° | 180.0° |
| CAF | CAK | CAJ | CAI | 1.5° | 0.0° |
| CAK | CAF | CAG | CAH | 0.3° | 0.1° |
| CAK | CAF | CAG | N1 | 178.3° | 180.0° |
| CAK | CAF | N1 | CAD | 2.2° | 0.3° |
| CAF | CAK | CAJ | HAJ | 178.5° | 180.0° |
| CAK | CAF | CAG | HAG | 179.7° | 180.0° |
| CAJ | CAI | CAH | HAI | 180.0° | 180.0° |
| CAJ | CAI | CAH | CAG | 2.2° | 0.0° |
| CAJ | CAI | CAH | HAH | 177.9° | 180.0° |
| CAI | CAH | CAG | HAH | 180.0° | 180.0° |
| CAI | CAH | CAG | CAF | 1.1° | 0.1° |
| CAH | CAI | CAJ | HAJ | 177.6° | 180.0° |
| CAI | CAH | CAG | HAG | 178.9° | 180.0° |
| CAH | CAG | CAF | HAG | 180.0° | 179.9° |
| CAH | CAG | CAF | N1 | 178.6° | 179.9° |
| CAG | CAH | CAI | HAI | 177.8° | 180.0° |
| CAG | CAF | N1 | CAD | 179.5° | 179.7° |
| CAF | CAG | CAH | HAH | 178.9° | 180.0° |
| CAF | N1 | CAD | CAL | 179.1° | 179.7° |
| CAF | N1 | CAD | N | 1.2° | 0.4° |
| N1 | CAF | CAG | HAG | 1.4° | 0.0° |
| CAL | CAD | N | N1 | 177.9° | 179.9° |
| CAD | CAL | CAM | CAQ | 178.4° | 179.8° |
| CAD | CAL | CAM | CAN | 178.5° | 179.7° |
| CAD | CAL | CAQ | CAP | 179.5° | 179.9° |
| CAL | CAD | N | H | 0.3° | 0.1° |
| CAD | CAL | CAM | HAM | 1.6° | 0.1° |
| CAD | CAL | CAQ | HAQ | 0.5° | 0.0° |
| N | CAD | CAL | CAM | 0.2° | 180.0° |
| N | CAD | CAL | CAQ | 178.6° | 0.2° |
| N1 | CAD | CAL | CAM | 178.1° | 0.1° |
| N1 | CAD | CAL | CAQ | 3.5° | 179.7° |
| N1 | CAD | N | H | 178.2° | 180.0° |
| CAL | CAM | CAN | HAM | 180.0° | 179.7° |
| CAL | CAM | CAN | CAO | 1.4° | 0.6° |
| CAM | CAL | CAQ | CAP | 1.1° | 0.3° |
| CAM | CAL | CAQ | HAQ | 178.9° | 179.7° |
| CAL | CAM | CAN | HAN | 178.6° | 179.7° |
| CAQ | CAL | CAM | CAN | 0.0° | 0.6° |
| CAL | CAQ | CAP | CAO | 0.7° | 0.0° |
| CAL | CAQ | CAP | HAQ | 180.0° | 180.0° |
| CAQ | CAL | CAM | HAM | 180.0° | 179.7° |
| CAL | CAQ | CAP | HAP | 179.3° | 180.0° |
| CAM | CAN | CAO | HAN | 180.0° | 179.7° |
| CAM | CAN | CAO | CAR | 178.5° | 179.7° |
| CAM | CAN | CAO | CAP | 1.9° | 0.3° |
| CAN | CAO | CAR | CAP | 176.8° | 180.0° |
| CAN | CAO | CAR | NAS | 153.7° | 39.3° |
| CAN | CAO | CAP | CAQ | 0.8° | 0.0° |
| CAO | CAN | CAM | HAM | 178.5° | 179.7° |
| CAN | CAO | CAP | HAP | 179.2° | 180.0° |
| CAR | CAO | CAP | CAQ | 177.6° | 180.0° |
| CAR | CAO | CAN | HAN | 1.5° | 0.0° |
| CAR | CAO | CAP | HAP | 2.4° | 0.0° |
| CAP | CAO | CAR | NAS | 23.1° | 140.7° |
| CAO | CAP | CAQ | HAP | 180.0° | 180.0° |
| CAO | CAP | CAQ | HAQ | 179.3° | 180.0° |
| CAP | CAO | CAN | HAN | 178.1° | 180.0° |
| HAJ | CAJ | CAI | HAI | 2.4° | 0.0° |
| HAI | CAI | CAH | HAH | 2.2° | 0.0° |
| HAH | CAH | CAG | HAG | 1.1° | 0.0° |
| HAM | CAM | CAN | HAN | 1.5° | 0.0° |
| HAQ | CAQ | CAP | HAP | 0.7° | 0.0° |
