FDB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAH | sing | 1.51Å | 1.56Å | |
| NAB | CAI | sing | 1.37Å | 1.34Å | |
| OAC | CAJ | doub | 1.22Å | 1.26Å | |
| CAD | NAF | sing | 1.37Å | 1.36Å | Aromatic |
| CAD | CAH | doub | 1.34Å | 1.36Å | Aromatic |
| NAE | CAI | doub | 1.31Å | 1.33Å | |
| NAE | CAK | sing | 1.34Å | 1.35Å | |
| NAF | CAK | sing | 1.36Å | 1.35Å | Aromatic |
| NAG | CAI | sing | 1.36Å | 1.40Å | |
| NAG | CAJ | sing | 1.35Å | 1.39Å | |
| CAH | CAL | sing | 1.46Å | 1.37Å | Aromatic |
| CAJ | CAL | sing | 1.41Å | 1.38Å | |
| CAK | CAL | doub | 1.40Å | 1.40Å | Aromatic |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| NAB | HNAB | sing | 0.97Å | 1.00Å | |
| NAB | HNAA | sing | 0.97Å | 1.00Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| NAF | HNAF | sing | 0.97Å | 1.00Å | |
| NAG | HNAG | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAH | CAD | 122.7° | 126.7° |
| CAA | CAH | CAL | 127.0° | 126.6° |
| CAH | CAA | HAA | 109.5° | 109.5° |
| CAH | CAA | HAAA | 109.5° | 109.5° |
| CAH | CAA | HAAB | 109.5° | 109.5° |
| NAB | CAI | NAE | 122.8° | 118.9° |
| NAB | CAI | NAG | 119.2° | 119.0° |
| CAI | NAB | HNAB | 120.0° | 120.0° |
| CAI | NAB | HNAA | 120.0° | 120.0° |
| OAC | CAJ | NAG | 113.8° | 120.9° |
| OAC | CAJ | CAL | 126.5° | 120.9° |
| NAF | CAD | CAH | 107.3° | 109.6° |
| CAD | NAF | CAK | 108.5° | 110.1° |
| NAF | CAD | HAD | 126.3° | 125.2° |
| CAD | NAF | HNAF | 125.8° | 124.9° |
| CAD | CAH | CAL | 110.3° | 106.7° |
| CAH | CAD | HAD | 126.3° | 125.2° |
| CAI | NAE | CAK | 122.5° | 121.2° |
| NAE | CAI | NAG | 118.0° | 122.1° |
| NAE | CAK | NAF | 129.9° | 133.6° |
| NAE | CAK | CAL | 120.8° | 119.1° |
| NAF | CAK | CAL | 109.1° | 107.3° |
| CAK | NAF | HNAF | 125.8° | 125.0° |
| CAI | NAG | CAJ | 120.8° | 120.2° |
| CAI | NAG | HNAG | 119.6° | 119.9° |
| NAG | CAJ | CAL | 119.6° | 118.2° |
| CAJ | NAG | HNAG | 119.6° | 119.9° |
| CAH | CAL | CAJ | 137.2° | 134.6° |
| CAH | CAL | CAK | 104.7° | 106.3° |
| CAJ | CAL | CAK | 118.0° | 119.1° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.4° | 109.5° |
| HAAA | CAA | HAAB | 109.4° | 109.5° |
| HNAB | NAB | HNAA | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAH | CAD | NAF | 179.3° | 180.0° |
| CAA | CAH | CAD | CAL | 179.6° | 180.0° |
| CAA | CAH | CAL | CAJ | 1.1° | 0.1° |
| CAA | CAH | CAL | CAK | 178.8° | 180.0° |
| CAH | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAH | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAH | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAH | CAD | HAD | 0.7° | 0.2° |
| NAB | CAI | NAE | NAG | 177.7° | 180.0° |
| NAB | CAI | NAE | CAK | 176.5° | 180.0° |
| NAB | CAI | NAG | CAJ | 179.4° | 180.0° |
| CAI | NAB | HNAB | HNAA | 180.0° | 180.0° |
| NAB | CAI | NAG | HNAG | 0.6° | 0.1° |
| OAC | CAJ | NAG | CAI | 177.9° | 180.0° |
| OAC | CAJ | NAG | CAL | 179.5° | 180.0° |
| OAC | CAJ | CAL | CAH | 1.9° | 0.1° |
| OAC | CAJ | CAL | CAK | 179.4° | 180.0° |
| OAC | CAJ | NAG | HNAG | 2.1° | 0.1° |
| NAF | CAD | CAH | HAD | 180.0° | 179.7° |
| CAD | NAF | CAK | NAE | 176.7° | 179.9° |
| CAD | NAF | CAK | HNAF | 180.0° | 179.9° |
| NAF | CAD | CAH | CAL | 1.1° | 0.0° |
| CAD | NAF | CAK | CAL | 0.9° | 0.0° |
| CAH | CAD | NAF | CAK | 0.1° | 0.0° |
| CAD | CAH | CAL | CAJ | 179.3° | 179.9° |
| CAD | CAH | CAL | CAK | 1.6° | 0.0° |
| CAD | CAH | CAA | HAA | 90.2° | 90.0° |
| CAD | CAH | CAA | HAAA | 149.8° | 150.0° |
| CAD | CAH | CAA | HAAB | 29.8° | 30.0° |
| CAH | CAD | NAF | HNAF | 179.9° | 179.9° |
| CAI | NAE | CAK | NAF | 179.5° | 179.9° |
| NAE | CAI | NAG | CAJ | 1.6° | 0.0° |
| CAI | NAE | CAK | CAL | 4.1° | 0.0° |
| NAE | CAI | NAB | HNAB | 0.0° | 0.0° |
| NAE | CAI | NAB | HNAA | 180.0° | 180.0° |
| NAE | CAI | NAG | HNAG | 178.4° | 179.9° |
| NAE | CAK | NAF | CAL | 175.8° | 179.9° |
| CAK | NAE | CAI | NAG | 1.3° | 0.0° |
| NAE | CAK | CAL | CAH | 177.7° | 179.9° |
| NAE | CAK | CAL | CAJ | 4.0° | 0.0° |
| NAE | CAK | NAF | HNAF | 3.4° | 0.2° |
| NAF | CAK | CAL | CAH | 1.5° | 0.0° |
| NAF | CAK | CAL | CAJ | 179.8° | 179.9° |
| CAK | NAF | CAD | HAD | 179.9° | 179.8° |
| CAI | NAG | CAJ | HNAG | 180.0° | 179.9° |
| CAI | NAG | CAJ | CAL | 1.5° | 0.0° |
| NAG | CAI | NAB | HNAB | 177.7° | 180.0° |
| NAG | CAI | NAB | HNAA | 2.3° | 0.0° |
| NAG | CAJ | CAL | CAH | 178.8° | 179.9° |
| NAG | CAJ | CAL | CAK | 1.2° | 0.0° |
| CAH | CAL | CAJ | CAK | 177.5° | 179.9° |
| CAL | CAH | CAA | HAA | 90.3° | 90.0° |
| CAL | CAH | CAA | HAAA | 29.8° | 30.0° |
| CAL | CAH | CAA | HAAB | 149.7° | 150.0° |
| CAL | CAH | CAD | HAD | 178.9° | 179.8° |
| CAL | CAJ | NAG | HNAG | 178.5° | 179.9° |
| CAL | CAK | NAF | HNAF | 179.1° | 179.9° |
| HAA | CAA | HAAA | HAAB | 119.9° | 120.0° |
| HAD | CAD | NAF | HNAF | 0.1° | 0.3° |
