9J3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAJ | CAI | sing | 1.53Å | 1.52Å | |
| CAI | OAH | sing | 1.45Å | 1.42Å | |
| OAH | CAF | sing | 1.34Å | 1.34Å | |
| CAE | CAF | sing | 1.51Å | 1.54Å | |
| CAE | CAD | sing | 1.53Å | 1.55Å | |
| CAF | OAG | doub | 1.21Å | 1.22Å | |
| CAD | CAC | sing | 1.51Å | 1.53Å | |
| OAB | CAC | doub | 1.21Å | 1.25Å | |
| CAC | OAA | sing | 1.34Å | 1.25Å | |
| OAA | H1 | sing | 0.97Å | 0.95Å | |
| CAD | H2 | sing | 1.09Å | 1.10Å | |
| CAD | H3 | sing | 1.09Å | 1.10Å | |
| CAE | H4 | sing | 1.09Å | 1.10Å | |
| CAE | H5 | sing | 1.09Å | 1.10Å | |
| CAI | H6 | sing | 1.09Å | 1.10Å | |
| CAI | H7 | sing | 1.09Å | 1.10Å | |
| CAJ | H8 | sing | 1.09Å | 1.10Å | |
| CAJ | H9 | sing | 1.09Å | 1.10Å | |
| CAJ | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAJ | CAI | OAH | 107.5° | 109.5° |
| CAJ | CAI | H6 | 110.0° | 109.5° |
| CAJ | CAI | H7 | 110.0° | 109.5° |
| CAI | CAJ | H8 | 109.5° | 109.5° |
| CAI | CAJ | H9 | 109.5° | 109.5° |
| CAI | CAJ | H10 | 109.5° | 109.5° |
| CAI | OAH | CAF | 107.8° | 117.0° |
| OAH | CAI | H6 | 109.9° | 109.4° |
| OAH | CAI | H7 | 109.9° | 109.4° |
| OAH | CAF | CAE | 117.8° | 120.0° |
| OAH | CAF | OAG | 120.6° | 120.0° |
| CAF | CAE | CAD | 114.2° | 109.5° |
| CAE | CAF | OAG | 120.9° | 120.0° |
| CAF | CAE | H4 | 108.3° | 109.5° |
| CAF | CAE | H5 | 108.3° | 109.5° |
| CAE | CAD | CAC | 113.6° | 109.5° |
| CAE | CAD | H2 | 108.4° | 109.4° |
| CAE | CAD | H3 | 108.4° | 109.4° |
| CAD | CAE | H4 | 108.3° | 109.4° |
| CAD | CAE | H5 | 108.3° | 109.4° |
| CAD | CAC | OAB | 116.3° | 120.0° |
| CAD | CAC | OAA | 117.7° | 120.0° |
| CAC | CAD | H2 | 108.4° | 109.5° |
| CAC | CAD | H3 | 108.4° | 109.5° |
| OAB | CAC | OAA | 125.9° | 120.0° |
| CAC | OAA | H1 | 109.5° | 117.0° |
| H2 | CAD | H3 | 109.4° | 109.5° |
| H4 | CAE | H5 | 109.5° | 109.4° |
| H6 | CAI | H7 | 109.5° | 109.5° |
| H8 | CAJ | H9 | 109.5° | 109.5° |
| H8 | CAJ | H10 | 109.4° | 109.5° |
| H9 | CAJ | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAJ | CAI | OAH | H6 | 119.7° | 120.0° |
| CAJ | CAI | OAH | H7 | 119.7° | 120.0° |
| CAJ | CAI | OAH | CAF | 93.8° | 180.0° |
| CAJ | CAI | H6 | H7 | 120.9° | 120.0° |
| CAI | CAJ | H8 | H9 | 120.0° | 120.0° |
| CAI | CAJ | H8 | H10 | 120.0° | 120.0° |
| CAI | CAJ | H9 | H10 | 120.0° | 120.0° |
| CAI | OAH | CAF | CAE | 71.0° | 180.0° |
| CAI | OAH | CAF | OAG | 99.7° | 0.0° |
| OAH | CAI | H6 | H7 | 120.9° | 119.9° |
| OAH | CAI | CAJ | H8 | 180.0° | 180.0° |
| OAH | CAI | CAJ | H9 | 60.0° | 60.0° |
| OAH | CAI | CAJ | H10 | 60.0° | 60.0° |
| OAH | CAF | CAE | OAG | 170.6° | 180.0° |
| OAH | CAF | CAE | CAD | 32.9° | 180.0° |
| OAH | CAF | CAE | H4 | 153.6° | 60.0° |
| OAH | CAF | CAE | H5 | 87.8° | 60.0° |
| CAF | OAH | CAI | H6 | 25.9° | 60.0° |
| CAF | OAH | CAI | H7 | 146.5° | 60.0° |
| CAF | CAE | CAD | H4 | 120.7° | 120.0° |
| CAF | CAE | CAD | H5 | 120.7° | 120.0° |
| CAF | CAE | CAD | CAC | 59.7° | 180.0° |
| CAF | CAE | CAD | H2 | 179.6° | 60.0° |
| CAF | CAE | CAD | H3 | 60.9° | 60.0° |
| CAF | CAE | H4 | H5 | 117.9° | 120.0° |
| CAD | CAE | CAF | OAG | 156.5° | 0.0° |
| CAE | CAD | CAC | H2 | 120.6° | 120.0° |
| CAE | CAD | CAC | H3 | 120.6° | 120.0° |
| CAE | CAD | CAC | OAB | 154.0° | 0.0° |
| CAE | CAD | CAC | OAA | 27.6° | 180.0° |
| CAE | CAD | H2 | H3 | 118.1° | 119.9° |
| CAD | CAE | H4 | H5 | 117.9° | 119.9° |
| OAG | CAF | CAE | H4 | 35.8° | 120.0° |
| OAG | CAF | CAE | H5 | 82.8° | 120.0° |
| CAD | CAC | OAB | OAA | 178.2° | 180.0° |
| CAD | CAC | OAA | H1 | 178.2° | 180.0° |
| CAC | CAD | H2 | H3 | 118.1° | 120.1° |
| CAC | CAD | CAE | H4 | 61.0° | 60.0° |
| CAC | CAD | CAE | H5 | 179.6° | 60.0° |
| OAB | CAC | OAA | H1 | 0.0° | 0.0° |
| OAB | CAC | CAD | H2 | 85.4° | 120.0° |
| OAB | CAC | CAD | H3 | 33.4° | 120.0° |
| OAA | CAC | CAD | H2 | 93.0° | 60.0° |
| OAA | CAC | CAD | H3 | 148.2° | 60.0° |
| H2 | CAD | CAE | H4 | 59.7° | 180.0° |
| H2 | CAD | CAE | H5 | 58.9° | 60.1° |
| H3 | CAD | CAE | H4 | 178.4° | 60.1° |
| H3 | CAD | CAE | H5 | 59.8° | 180.0° |
| H6 | CAI | CAJ | H8 | 60.3° | 60.0° |
| H6 | CAI | CAJ | H9 | 59.7° | 180.0° |
| H6 | CAI | CAJ | H10 | 179.7° | 60.0° |
| H7 | CAI | CAJ | H8 | 60.3° | 60.0° |
| H7 | CAI | CAJ | H9 | 179.7° | 60.0° |
| H7 | CAI | CAJ | H10 | 59.7° | 180.0° |
| H8 | CAJ | H9 | H10 | 119.9° | 120.0° |
