2CQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAB | CAH | sing | 1.40Å | 1.34Å | |
| NAC | CAI | sing | 1.40Å | 1.36Å | |
| CAH | CAI | doub | 1.39Å | 1.41Å | Aromatic |
| CAH | CAE | sing | 1.39Å | 1.41Å | Aromatic |
| CAI | CAF | sing | 1.39Å | 1.40Å | Aromatic |
| CAE | CAG | doub | 1.38Å | 1.42Å | Aromatic |
| CAF | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAG | CAJ | sing | 1.38Å | 1.41Å | Aromatic |
| CAG | CAA | sing | 1.51Å | 1.44Å | |
| CAJ | CL | sing | 1.74Å | 1.74Å | |
| NAB | H1 | sing | 0.97Å | 1.00Å | |
| NAB | H2 | sing | 0.97Å | 1.00Å | |
| CAE | H3 | sing | 1.08Å | 1.08Å | |
| CAA | H4 | sing | 1.09Å | 1.10Å | |
| CAA | H5 | sing | 1.09Å | 1.10Å | |
| CAA | H6 | sing | 1.09Å | 1.10Å | |
| CAF | H7 | sing | 1.08Å | 1.08Å | |
| NAC | H8 | sing | 0.97Å | 1.00Å | |
| NAC | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAB | CAH | CAI | 117.0° | 120.1° |
| NAB | CAH | CAE | 123.0° | 120.1° |
| CAH | NAB | H1 | 109.5° | 120.0° |
| CAH | NAB | H2 | 109.5° | 120.0° |
| NAC | CAI | CAH | 119.2° | 120.1° |
| NAC | CAI | CAF | 121.7° | 120.1° |
| CAI | NAC | H8 | 109.5° | 120.0° |
| CAI | NAC | H9 | 109.4° | 119.9° |
| CAI | CAH | CAE | 119.9° | 119.8° |
| CAH | CAI | CAF | 119.1° | 119.8° |
| CAH | CAE | CAG | 121.3° | 120.0° |
| CAH | CAE | H3 | 119.4° | 119.9° |
| CAI | CAF | CAJ | 120.8° | 120.0° |
| CAI | CAF | H7 | 119.6° | 120.0° |
| CAE | CAG | CAJ | 117.5° | 120.2° |
| CAE | CAG | CAA | 122.0° | 119.9° |
| CAG | CAE | H3 | 119.3° | 120.0° |
| CAF | CAJ | CAG | 121.5° | 120.2° |
| CAF | CAJ | CL | 118.1° | 119.9° |
| CAJ | CAF | H7 | 119.6° | 120.0° |
| CAJ | CAG | CAA | 120.5° | 119.9° |
| CAG | CAJ | CL | 120.4° | 119.9° |
| CAG | CAA | H4 | 109.5° | 109.5° |
| CAG | CAA | H5 | 109.5° | 109.5° |
| CAG | CAA | H6 | 109.5° | 109.4° |
| H1 | NAB | H2 | 109.4° | 120.0° |
| H4 | CAA | H5 | 109.5° | 109.5° |
| H4 | CAA | H6 | 109.5° | 109.5° |
| H5 | CAA | H6 | 109.4° | 109.5° |
| H8 | NAC | H9 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAB | CAH | CAI | NAC | 2.6° | 0.0° |
| NAB | CAH | CAI | CAE | 176.9° | 179.8° |
| NAB | CAH | CAI | CAF | 178.0° | 179.8° |
| NAB | CAH | CAE | CAG | 178.4° | 180.0° |
| CAH | NAB | H1 | H2 | 120.0° | 179.6° |
| NAB | CAH | CAE | H3 | 1.6° | 0.0° |
| NAC | CAI | CAH | CAF | 179.4° | 179.8° |
| NAC | CAI | CAH | CAE | 179.5° | 179.8° |
| NAC | CAI | CAF | CAJ | 179.6° | 179.8° |
| NAC | CAI | CAF | H7 | 0.4° | 0.0° |
| CAI | NAC | H8 | H9 | 120.0° | 179.9° |
| CAI | CAH | CAE | CAG | 1.6° | 0.2° |
| CAH | CAI | CAF | CAJ | 0.2° | 0.4° |
| CAI | CAH | NAB | H1 | 180.0° | 0.1° |
| CAI | CAH | NAB | H2 | 60.0° | 179.7° |
| CAI | CAH | CAE | H3 | 178.3° | 179.8° |
| CAH | CAI | CAF | H7 | 179.8° | 179.8° |
| CAH | CAI | NAC | H8 | 180.0° | 0.0° |
| CAH | CAI | NAC | H9 | 60.0° | 179.9° |
| CAE | CAH | CAI | CAF | 1.1° | 0.4° |
| CAH | CAE | CAG | H3 | 180.0° | 180.0° |
| CAH | CAE | CAG | CAJ | 1.3° | 0.0° |
| CAH | CAE | CAG | CAA | 178.9° | 180.0° |
| CAE | CAH | NAB | H1 | 3.1° | 179.7° |
| CAE | CAH | NAB | H2 | 116.8° | 0.1° |
| CAI | CAF | CAJ | H7 | 180.0° | 179.8° |
| CAI | CAF | CAJ | CAG | 0.2° | 0.2° |
| CAI | CAF | CAJ | CL | 178.6° | 179.8° |
| CAF | CAI | NAC | H8 | 0.6° | 179.8° |
| CAF | CAI | NAC | H9 | 119.4° | 0.3° |
| CAE | CAG | CAJ | CAF | 0.4° | 0.0° |
| CAE | CAG | CAJ | CAA | 179.8° | 180.0° |
| CAE | CAG | CAJ | CL | 178.0° | 180.0° |
| CAE | CAG | CAA | H4 | 90.1° | 90.0° |
| CAE | CAG | CAA | H5 | 149.9° | 149.9° |
| CAE | CAG | CAA | H6 | 29.9° | 30.0° |
| CAF | CAJ | CAG | CL | 178.4° | 180.0° |
| CAF | CAJ | CAG | CAA | 179.8° | 180.0° |
| CAJ | CAG | CAE | H3 | 178.7° | 180.0° |
| CAJ | CAG | CAA | H4 | 90.1° | 90.0° |
| CAJ | CAG | CAA | H5 | 29.9° | 30.0° |
| CAJ | CAG | CAA | H6 | 149.9° | 150.0° |
| CAG | CAJ | CAF | H7 | 179.8° | 180.0° |
| CAA | CAG | CAJ | CL | 1.8° | 0.0° |
| CAA | CAG | CAE | H3 | 1.1° | 0.0° |
| CAG | CAA | H4 | H5 | 120.0° | 120.0° |
| CAG | CAA | H4 | H6 | 120.0° | 119.9° |
| CAG | CAA | H5 | H6 | 120.0° | 119.9° |
| CL | CAJ | CAF | H7 | 1.4° | 0.0° |
| H4 | CAA | H5 | H6 | 120.0° | 120.0° |
