ES0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAA | CAH | sing | 1.38Å | 1.33Å | |
| OAB | CAI | sing | 1.36Å | 1.36Å | |
| CAC | CAD | doub | 1.39Å | 1.39Å | Aromatic |
| CAC | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | CAJ | doub | 1.40Å | 1.39Å | Aromatic |
| NAF | CAH | doub | 1.31Å | 1.33Å | Aromatic |
| NAF | CAJ | sing | 1.36Å | 1.32Å | Aromatic |
| NAG | CAH | sing | 1.36Å | 1.34Å | Aromatic |
| NAG | CAK | sing | 1.39Å | 1.33Å | Aromatic |
| CAI | CAK | doub | 1.39Å | 1.39Å | Aromatic |
| CAJ | CAK | sing | 1.40Å | 1.38Å | Aromatic |
| NAA | HNAA | sing | 0.97Å | 1.00Å | |
| NAA | HNAB | sing | 0.97Å | 1.00Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| NAG | HNAG | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAA | CAH | NAF | 123.8° | 125.0° |
| NAA | CAH | NAG | 126.9° | 125.1° |
| CAH | NAA | HNAA | 109.5° | 120.1° |
| CAH | NAA | HNAB | 109.5° | 120.0° |
| OAB | CAI | CAD | 119.6° | 120.1° |
| OAB | CAI | CAK | 120.5° | 120.1° |
| CAI | OAB | HOAB | 109.5° | 114.0° |
| CAD | CAC | CAE | 120.0° | 120.6° |
| CAC | CAD | CAI | 120.1° | 120.4° |
| CAD | CAC | HAC | 120.0° | 119.7° |
| CAC | CAD | HAD | 119.9° | 119.8° |
| CAC | CAE | CAJ | 119.6° | 119.8° |
| CAE | CAC | HAC | 120.0° | 119.7° |
| CAC | CAE | HAE | 120.2° | 120.1° |
| CAD | CAI | CAK | 119.9° | 119.8° |
| CAI | CAD | HAD | 119.9° | 119.8° |
| CAE | CAJ | NAF | 131.8° | 133.4° |
| CAE | CAJ | CAK | 120.7° | 119.5° |
| CAJ | CAE | HAE | 120.2° | 120.0° |
| CAH | NAF | CAJ | 108.3° | 109.7° |
| NAF | CAH | NAG | 109.3° | 109.9° |
| NAF | CAJ | CAK | 107.4° | 107.1° |
| CAH | NAG | CAK | 107.8° | 107.2° |
| CAH | NAG | HNAG | 126.1° | 126.4° |
| NAG | CAK | CAI | 133.1° | 133.9° |
| NAG | CAK | CAJ | 107.2° | 106.2° |
| CAK | NAG | HNAG | 126.1° | 126.4° |
| CAI | CAK | CAJ | 119.6° | 119.9° |
| HNAA | NAA | HNAB | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAA | CAH | NAF | NAG | 179.6° | 180.0° |
| NAA | CAH | NAF | CAJ | 179.5° | 180.0° |
| NAA | CAH | NAG | CAK | 179.5° | 180.0° |
| CAH | NAA | HNAA | HNAB | 120.0° | 179.7° |
| NAA | CAH | NAG | HNAG | 0.5° | 0.0° |
| OAB | CAI | CAD | CAC | 180.0° | 180.0° |
| OAB | CAI | CAD | CAK | 179.9° | 180.0° |
| OAB | CAI | CAK | NAG | 0.0° | 0.1° |
| OAB | CAI | CAK | CAJ | 180.0° | 180.0° |
| OAB | CAI | CAD | HAD | 0.0° | 0.0° |
| CAD | CAC | CAE | HAC | 180.0° | 179.8° |
| CAC | CAD | CAI | HAD | 180.0° | 179.9° |
| CAD | CAC | CAE | CAJ | 0.1° | 0.0° |
| CAC | CAD | CAI | CAK | 0.0° | 0.0° |
| CAD | CAC | CAE | HAE | 179.9° | 180.0° |
| CAE | CAC | CAD | CAI | 0.0° | 0.1° |
| CAC | CAE | CAJ | HAE | 180.0° | 179.9° |
| CAC | CAE | CAJ | NAF | 179.9° | 179.9° |
| CAC | CAE | CAJ | CAK | 0.1° | 0.0° |
| CAE | CAC | CAD | HAD | 180.0° | 180.0° |
| CAD | CAI | CAK | NAG | 179.9° | 180.0° |
| CAD | CAI | CAK | CAJ | 0.0° | 0.1° |
| CAD | CAI | OAB | HOAB | 180.0° | 90.0° |
| CAI | CAD | CAC | HAC | 179.9° | 179.7° |
| CAE | CAJ | NAF | CAH | 179.9° | 180.0° |
| CAE | CAJ | NAF | CAK | 179.8° | 179.9° |
| CAE | CAJ | CAK | NAG | 179.9° | 180.0° |
| CAE | CAJ | CAK | CAI | 0.1° | 0.1° |
| CAJ | CAE | CAC | HAC | 179.9° | 179.7° |
| NAF | CAH | NAG | CAK | 0.1° | 0.0° |
| CAH | NAF | CAJ | CAK | 0.1° | 0.0° |
| NAF | CAH | NAA | HNAA | 0.0° | 0.0° |
| NAF | CAH | NAA | HNAB | 120.0° | 179.7° |
| NAF | CAH | NAG | HNAG | 179.9° | 180.0° |
| CAJ | NAF | CAH | NAG | 0.1° | 0.0° |
| NAF | CAJ | CAK | NAG | 0.1° | 0.1° |
| NAF | CAJ | CAK | CAI | 179.9° | 180.0° |
| NAF | CAJ | CAE | HAE | 0.1° | 0.0° |
| CAH | NAG | CAK | HNAG | 180.0° | 180.0° |
| CAH | NAG | CAK | CAI | 180.0° | 180.0° |
| CAH | NAG | CAK | CAJ | 0.0° | 0.1° |
| NAG | CAH | NAA | HNAA | 179.5° | 180.0° |
| NAG | CAH | NAA | HNAB | 60.5° | 0.3° |
| NAG | CAK | CAI | CAJ | 180.0° | 179.9° |
| CAK | CAI | OAB | HOAB | 0.0° | 90.0° |
| CAK | CAI | CAD | HAD | 180.0° | 179.9° |
| CAI | CAK | NAG | HNAG | 0.0° | 0.1° |
| CAK | CAJ | CAE | HAE | 179.9° | 179.9° |
| CAJ | CAK | NAG | HNAG | 180.0° | 180.0° |
| HAC | CAC | CAD | HAD | 0.0° | 0.2° |
| HAC | CAC | CAE | HAE | 0.1° | 0.2° |
