3GY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAH | sing | 1.53Å | 1.54Å | |
| CAH | CAJ | sing | 1.53Å | 1.53Å | |
| CAG | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | CAC | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAI | sing | 1.51Å | 1.54Å | |
| CAJ | CAB | sing | 1.53Å | 1.53Å | |
| CAI | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAH | H4 | sing | 1.09Å | 1.10Å | |
| CAH | H5 | sing | 1.09Å | 1.10Å | |
| CAJ | H6 | sing | 1.09Å | 1.10Å | |
| CAB | H7 | sing | 1.09Å | 1.10Å | |
| CAB | H8 | sing | 1.09Å | 1.10Å | |
| CAB | H9 | sing | 1.09Å | 1.10Å | |
| CAF | H10 | sing | 1.08Å | 1.08Å | |
| CAD | H11 | sing | 1.08Å | 1.08Å | |
| CAC | H12 | sing | 1.08Å | 1.08Å | |
| CAE | H13 | sing | 1.08Å | 1.08Å | |
| CAG | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAH | CAJ | 112.4° | 109.5° |
| CAH | CAA | H1 | 109.5° | 109.5° |
| CAH | CAA | H2 | 109.5° | 109.4° |
| CAH | CAA | H3 | 109.5° | 109.5° |
| CAA | CAH | H4 | 108.7° | 109.5° |
| CAA | CAH | H5 | 108.7° | 109.5° |
| CAH | CAJ | CAI | 111.3° | 109.5° |
| CAH | CAJ | CAB | 110.6° | 109.5° |
| CAJ | CAH | H4 | 108.8° | 109.5° |
| CAJ | CAH | H5 | 108.7° | 109.5° |
| CAH | CAJ | H6 | 108.5° | 109.5° |
| CAE | CAG | CAI | 120.4° | 120.0° |
| CAG | CAE | CAC | 119.9° | 120.0° |
| CAG | CAE | H13 | 120.1° | 120.0° |
| CAE | CAG | H14 | 119.8° | 120.0° |
| CAG | CAI | CAJ | 120.5° | 120.0° |
| CAG | CAI | CAF | 119.6° | 120.0° |
| CAI | CAG | H14 | 119.8° | 120.0° |
| CAE | CAC | CAD | 120.0° | 120.0° |
| CAE | CAC | H12 | 120.0° | 120.0° |
| CAC | CAE | H13 | 120.1° | 120.0° |
| CAI | CAJ | CAB | 109.4° | 109.5° |
| CAJ | CAI | CAF | 119.9° | 120.0° |
| CAI | CAJ | H6 | 108.5° | 109.4° |
| CAB | CAJ | H6 | 108.5° | 109.5° |
| CAJ | CAB | H7 | 109.5° | 109.5° |
| CAJ | CAB | H8 | 109.4° | 109.4° |
| CAJ | CAB | H9 | 109.5° | 109.5° |
| CAI | CAF | CAD | 120.1° | 120.0° |
| CAI | CAF | H10 | 120.0° | 120.0° |
| CAC | CAD | CAF | 120.0° | 120.0° |
| CAC | CAD | H11 | 120.0° | 120.0° |
| CAD | CAC | H12 | 120.0° | 120.0° |
| CAD | CAF | H10 | 120.0° | 120.0° |
| CAF | CAD | H11 | 120.0° | 120.0° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.4° | 109.5° |
| H4 | CAH | H5 | 109.5° | 109.5° |
| H7 | CAB | H8 | 109.5° | 109.5° |
| H7 | CAB | H9 | 109.5° | 109.5° |
| H8 | CAB | H9 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAH | CAJ | H4 | 120.4° | 120.0° |
| CAA | CAH | CAJ | H5 | 120.4° | 120.0° |
| CAA | CAH | CAJ | CAI | 60.6° | 175.0° |
| CAA | CAH | CAJ | CAB | 177.6° | 65.0° |
| CAH | CAA | H1 | H2 | 120.0° | 120.0° |
| CAH | CAA | H1 | H3 | 120.0° | 120.0° |
| CAH | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAH | H4 | H5 | 118.7° | 120.0° |
| CAA | CAH | CAJ | H6 | 58.7° | 55.0° |
| CAH | CAJ | CAI | CAG | 75.4° | 60.3° |
| CAH | CAJ | CAI | CAB | 122.5° | 120.0° |
| CAH | CAJ | CAI | H6 | 119.3° | 120.0° |
| CAH | CAJ | CAB | H6 | 118.9° | 120.0° |
| CAH | CAJ | CAI | CAF | 105.6° | 120.0° |
| CAJ | CAH | CAA | H1 | 180.0° | 180.0° |
| CAJ | CAH | CAA | H2 | 60.0° | 60.0° |
| CAJ | CAH | CAA | H3 | 60.0° | 60.0° |
| CAJ | CAH | H4 | H5 | 118.6° | 120.0° |
| CAH | CAJ | CAB | H7 | 180.0° | 180.0° |
| CAH | CAJ | CAB | H8 | 60.0° | 60.0° |
| CAH | CAJ | CAB | H9 | 60.0° | 60.0° |
| CAE | CAG | CAI | H14 | 180.0° | 179.4° |
| CAG | CAE | CAC | H13 | 180.0° | 179.7° |
| CAE | CAG | CAI | CAJ | 179.9° | 179.7° |
| CAE | CAG | CAI | CAF | 1.1° | 0.6° |
| CAG | CAE | CAC | CAD | 0.5° | 0.3° |
| CAG | CAE | CAC | H12 | 179.5° | 179.8° |
| CAI | CAG | CAE | CAC | 1.0° | 0.6° |
| CAG | CAI | CAJ | CAF | 179.0° | 179.7° |
| CAG | CAI | CAJ | CAB | 162.1° | 59.7° |
| CAG | CAI | CAF | CAD | 0.7° | 0.3° |
| CAG | CAI | CAJ | H6 | 43.9° | 179.7° |
| CAG | CAI | CAF | H10 | 179.3° | 179.8° |
| CAI | CAG | CAE | H13 | 179.1° | 179.7° |
| CAE | CAC | CAD | H12 | 180.0° | 179.9° |
| CAE | CAC | CAD | CAF | 0.1° | 0.0° |
| CAE | CAC | CAD | H11 | 179.9° | 179.9° |
| CAC | CAE | CAG | H14 | 179.1° | 180.0° |
| CAI | CAJ | CAB | H6 | 118.2° | 120.0° |
| CAJ | CAI | CAF | CAD | 179.7° | 180.0° |
| CAI | CAJ | CAH | H4 | 179.0° | 65.0° |
| CAI | CAJ | CAH | H5 | 59.8° | 55.0° |
| CAI | CAJ | CAB | H7 | 57.1° | 60.0° |
| CAI | CAJ | CAB | H8 | 177.1° | 180.0° |
| CAI | CAJ | CAB | H9 | 62.9° | 60.0° |
| CAJ | CAI | CAF | H10 | 0.3° | 0.1° |
| CAJ | CAI | CAG | H14 | 0.1° | 0.3° |
| CAB | CAJ | CAI | CAF | 16.9° | 120.0° |
| CAB | CAJ | CAH | H4 | 57.2° | 55.0° |
| CAB | CAJ | CAH | H5 | 62.0° | 175.0° |
| CAJ | CAB | H7 | H8 | 120.0° | 120.0° |
| CAJ | CAB | H7 | H9 | 120.0° | 120.0° |
| CAJ | CAB | H8 | H9 | 120.0° | 120.0° |
| CAI | CAF | CAD | CAC | 0.2° | 0.0° |
| CAI | CAF | CAD | H10 | 180.0° | 179.9° |
| CAF | CAI | CAJ | H6 | 135.1° | 0.0° |
| CAI | CAF | CAD | H11 | 179.8° | 179.9° |
| CAF | CAI | CAG | H14 | 179.0° | 180.0° |
| CAC | CAD | CAF | H11 | 180.0° | 179.9° |
| CAC | CAD | CAF | H10 | 179.8° | 179.9° |
| CAD | CAC | CAE | H13 | 179.5° | 180.0° |
| CAF | CAD | CAC | H12 | 179.9° | 179.9° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAH | H4 | 59.5° | 60.0° |
| H1 | CAA | CAH | H5 | 59.6° | 60.0° |
| H2 | CAA | CAH | H4 | 60.5° | 60.0° |
| H2 | CAA | CAH | H5 | 179.6° | 180.0° |
| H3 | CAA | CAH | H4 | 179.6° | 180.0° |
| H3 | CAA | CAH | H5 | 60.4° | 60.0° |
| H4 | CAH | CAJ | H6 | 61.7° | 175.0° |
| H5 | CAH | CAJ | H6 | 179.1° | 65.0° |
| H6 | CAJ | CAB | H7 | 61.1° | 60.0° |
| H6 | CAJ | CAB | H8 | 58.9° | 60.0° |
| H6 | CAJ | CAB | H9 | 178.9° | 180.0° |
| H7 | CAB | H8 | H9 | 120.0° | 120.0° |
| H10 | CAF | CAD | H11 | 0.2° | 0.0° |
| H11 | CAD | CAC | H12 | 0.1° | 0.0° |
| H12 | CAC | CAE | H13 | 0.5° | 0.1° |
| H13 | CAE | CAG | H14 | 0.9° | 0.3° |
