31E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | NAG | doub | 1.30Å | 1.34Å | |
| CAI | SAB | sing | 1.76Å | 1.63Å | |
| NAG | CAF | sing | 1.46Å | 1.47Å | |
| CAD | OAH | sing | 1.34Å | 1.37Å | Aromatic |
| CAD | CAC | doub | 1.35Å | 1.33Å | Aromatic |
| OAH | CAJ | sing | 1.34Å | 1.33Å | Aromatic |
| CAC | CAE | sing | 1.41Å | 1.33Å | Aromatic |
| CAJ | CAF | sing | 1.51Å | 1.53Å | |
| CAJ | CAE | doub | 1.34Å | 1.33Å | Aromatic |
| CAI | H1 | sing | 1.08Å | 1.08Å | |
| SAB | H2 | sing | 1.41Å | 1.30Å | |
| CAF | H3 | sing | 1.09Å | 1.10Å | |
| CAF | H4 | sing | 1.09Å | 1.10Å | |
| CAD | H5 | sing | 1.08Å | 1.08Å | |
| CAC | H6 | sing | 1.08Å | 1.08Å | |
| CAE | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAG | CAI | SAB | 120.0° | 120.0° |
| CAI | NAG | CAF | 122.0° | 120.0° |
| NAG | CAI | H1 | 120.0° | 120.0° |
| SAB | CAI | H1 | 120.0° | 120.0° |
| CAI | SAB | H2 | 102.0° | 100.0° |
| NAG | CAF | CAJ | 109.5° | 109.4° |
| NAG | CAF | H3 | 109.4° | 109.5° |
| NAG | CAF | H4 | 109.4° | 109.5° |
| OAH | CAD | CAC | 107.9° | 108.4° |
| CAD | OAH | CAJ | 105.8° | 109.5° |
| OAH | CAD | H5 | 126.0° | 125.8° |
| CAD | CAC | CAE | 108.7° | 106.8° |
| CAC | CAD | H5 | 126.0° | 125.8° |
| CAD | CAC | H6 | 125.6° | 126.6° |
| OAH | CAJ | CAF | 124.6° | 125.8° |
| OAH | CAJ | CAE | 110.4° | 108.4° |
| CAC | CAE | CAJ | 107.2° | 106.9° |
| CAE | CAC | H6 | 125.7° | 126.6° |
| CAC | CAE | H7 | 126.4° | 126.5° |
| CAF | CAJ | CAE | 125.1° | 125.8° |
| CAJ | CAF | H3 | 109.5° | 109.5° |
| CAJ | CAF | H4 | 109.5° | 109.4° |
| CAJ | CAE | H7 | 126.4° | 126.6° |
| H3 | CAF | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAG | CAI | SAB | H1 | 180.0° | 179.7° |
| CAI | NAG | CAF | CAJ | 153.5° | 115.0° |
| NAG | CAI | SAB | H2 | 180.0° | 180.0° |
| CAI | NAG | CAF | H3 | 86.4° | 124.9° |
| CAI | NAG | CAF | H4 | 33.5° | 4.9° |
| SAB | CAI | NAG | CAF | 0.0° | 0.1° |
| NAG | CAF | CAJ | OAH | 69.4° | 89.7° |
| NAG | CAF | CAJ | H3 | 120.0° | 120.0° |
| NAG | CAF | CAJ | H4 | 120.0° | 120.0° |
| NAG | CAF | CAJ | CAE | 110.5° | 90.0° |
| CAF | NAG | CAI | H1 | 180.0° | 179.8° |
| NAG | CAF | H3 | H4 | 119.9° | 120.0° |
| OAH | CAD | CAC | H5 | 180.0° | 180.0° |
| OAH | CAD | CAC | CAE | 0.0° | 0.3° |
| CAD | OAH | CAJ | CAF | 180.0° | 180.0° |
| CAD | OAH | CAJ | CAE | 0.0° | 0.2° |
| OAH | CAD | CAC | H6 | 179.9° | 180.0° |
| CAC | CAD | OAH | CAJ | 0.0° | 0.0° |
| CAD | CAC | CAE | H6 | 180.0° | 179.8° |
| CAD | CAC | CAE | CAJ | 0.1° | 0.4° |
| CAD | CAC | CAE | H7 | 179.9° | 179.8° |
| OAH | CAJ | CAE | CAC | 0.1° | 0.4° |
| OAH | CAJ | CAF | CAE | 179.9° | 179.7° |
| OAH | CAJ | CAF | H3 | 170.6° | 150.3° |
| OAH | CAJ | CAF | H4 | 50.5° | 30.3° |
| CAJ | OAH | CAD | H5 | 180.0° | 180.0° |
| OAH | CAJ | CAE | H7 | 179.9° | 179.8° |
| CAC | CAE | CAJ | CAF | 180.0° | 179.9° |
| CAC | CAE | CAJ | H7 | 180.0° | 179.8° |
| CAE | CAC | CAD | H5 | 180.0° | 179.8° |
| CAJ | CAF | H3 | H4 | 120.0° | 120.0° |
| CAF | CAJ | CAE | H7 | 0.0° | 0.0° |
| CAE | CAJ | CAF | H3 | 9.5° | 30.0° |
| CAE | CAJ | CAF | H4 | 129.5° | 150.0° |
| CAJ | CAE | CAC | H6 | 179.9° | 179.8° |
| H1 | CAI | SAB | H2 | 0.0° | 0.3° |
| H5 | CAD | CAC | H6 | 0.0° | 0.0° |
| H6 | CAC | CAE | H7 | 0.1° | 0.0° |
