9J6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAK | OAJ | sing | 1.45Å | 1.46Å | |
| CAK | CAL | sing | 1.53Å | 1.55Å | |
| OAJ | CAH | sing | 1.34Å | 1.38Å | |
| CAH | CAG | sing | 1.51Å | 1.54Å | |
| CAH | OAI | doub | 1.21Å | 1.23Å | |
| CAG | CAF | sing | 1.53Å | 1.55Å | |
| CAF | CAE | sing | 1.53Å | 1.53Å | |
| CAE | CAD | sing | 1.53Å | 1.52Å | |
| OAA | CAC | doub | 1.21Å | 1.26Å | |
| CAD | CAC | sing | 1.51Å | 1.52Å | |
| CAC | OAB | sing | 1.34Å | 1.25Å | |
| OAB | 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 | |
| CAF | H6 | sing | 1.09Å | 1.10Å | |
| CAF | H7 | sing | 1.09Å | 1.10Å | |
| CAG | H8 | sing | 1.09Å | 1.10Å | |
| CAG | H9 | sing | 1.09Å | 1.10Å | |
| CAK | H10 | sing | 1.09Å | 1.10Å | |
| CAK | H11 | sing | 1.09Å | 1.10Å | |
| CAL | H12 | sing | 1.09Å | 1.10Å | |
| CAL | H13 | sing | 1.09Å | 1.10Å | |
| CAL | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAJ | CAK | CAL | 118.1° | 109.5° |
| CAK | OAJ | CAH | 128.9° | 117.0° |
| OAJ | CAK | H10 | 107.3° | 109.5° |
| OAJ | CAK | H11 | 107.3° | 109.4° |
| CAL | CAK | H10 | 107.3° | 109.5° |
| CAL | CAK | H11 | 107.3° | 109.5° |
| CAK | CAL | H12 | 109.5° | 109.4° |
| CAK | CAL | H13 | 109.5° | 109.5° |
| CAK | CAL | H14 | 109.5° | 109.5° |
| OAJ | CAH | CAG | 111.1° | 120.0° |
| OAJ | CAH | OAI | 126.6° | 120.0° |
| CAG | CAH | OAI | 122.3° | 120.0° |
| CAH | CAG | CAF | 120.9° | 109.5° |
| CAH | CAG | H8 | 106.5° | 109.5° |
| CAH | CAG | H9 | 106.5° | 109.5° |
| CAG | CAF | CAE | 113.7° | 109.5° |
| CAG | CAF | H6 | 108.4° | 109.5° |
| CAG | CAF | H7 | 108.4° | 109.4° |
| CAF | CAG | H8 | 106.6° | 109.4° |
| CAF | CAG | H9 | 106.5° | 109.4° |
| CAF | CAE | CAD | 108.2° | 109.5° |
| CAF | CAE | H4 | 109.8° | 109.5° |
| CAF | CAE | H5 | 109.8° | 109.5° |
| CAE | CAF | H6 | 108.4° | 109.5° |
| CAE | CAF | H7 | 108.4° | 109.5° |
| CAE | CAD | CAC | 110.5° | 109.5° |
| CAE | CAD | H2 | 109.2° | 109.5° |
| CAE | CAD | H3 | 109.2° | 109.4° |
| CAD | CAE | H4 | 109.8° | 109.4° |
| CAD | CAE | H5 | 109.8° | 109.5° |
| OAA | CAC | CAD | 119.7° | 120.0° |
| OAA | CAC | OAB | 125.7° | 120.0° |
| CAD | CAC | OAB | 114.5° | 120.0° |
| CAC | CAD | H2 | 109.2° | 109.5° |
| CAC | CAD | H3 | 109.2° | 109.5° |
| CAC | OAB | H1 | 109.5° | 117.0° |
| H2 | CAD | H3 | 109.5° | 109.5° |
| H4 | CAE | H5 | 109.5° | 109.5° |
| H6 | CAF | H7 | 109.5° | 109.5° |
| H8 | CAG | H9 | 109.5° | 109.5° |
| H10 | CAK | H11 | 109.5° | 109.4° |
| H12 | CAL | H13 | 109.4° | 109.5° |
| H12 | CAL | H14 | 109.5° | 109.5° |
| H13 | CAL | H14 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAJ | CAK | CAL | H10 | 121.2° | 120.1° |
| OAJ | CAK | CAL | H11 | 121.2° | 120.0° |
| CAK | OAJ | CAH | CAG | 178.8° | 180.0° |
| CAK | OAJ | CAH | OAI | 4.7° | 0.0° |
| OAJ | CAK | H10 | H11 | 116.1° | 119.9° |
| OAJ | CAK | CAL | H12 | 180.0° | 180.0° |
| OAJ | CAK | CAL | H13 | 60.0° | 60.0° |
| OAJ | CAK | CAL | H14 | 60.0° | 60.0° |
| CAL | CAK | OAJ | CAH | 16.1° | 180.0° |
| CAL | CAK | H10 | H11 | 116.1° | 120.0° |
| CAK | CAL | H12 | H13 | 120.0° | 120.0° |
| CAK | CAL | H12 | H14 | 120.0° | 120.0° |
| CAK | CAL | H13 | H14 | 120.0° | 120.0° |
| OAJ | CAH | CAG | OAI | 176.7° | 180.0° |
| OAJ | CAH | CAG | CAF | 161.7° | 180.0° |
| OAJ | CAH | CAG | H8 | 76.7° | 60.0° |
| OAJ | CAH | CAG | H9 | 40.1° | 60.0° |
| CAH | OAJ | CAK | H10 | 105.1° | 59.9° |
| CAH | OAJ | CAK | H11 | 137.3° | 60.0° |
| CAH | CAG | CAF | H8 | 121.6° | 120.0° |
| CAH | CAG | CAF | H9 | 121.6° | 120.0° |
| CAH | CAG | CAF | CAE | 58.3° | 180.0° |
| CAH | CAG | CAF | H6 | 62.3° | 60.0° |
| CAH | CAG | CAF | H7 | 178.9° | 60.0° |
| CAH | CAG | H8 | H9 | 114.8° | 120.1° |
| OAI | CAH | CAG | CAF | 21.6° | 0.0° |
| OAI | CAH | CAG | H8 | 100.0° | 120.0° |
| OAI | CAH | CAG | H9 | 143.2° | 120.0° |
| CAG | CAF | CAE | H6 | 120.6° | 120.0° |
| CAG | CAF | CAE | H7 | 120.6° | 120.0° |
| CAG | CAF | CAE | CAD | 173.5° | 180.0° |
| CAG | CAF | CAE | H4 | 53.7° | 60.0° |
| CAG | CAF | CAE | H5 | 66.7° | 60.0° |
| CAG | CAF | H6 | H7 | 118.1° | 120.0° |
| CAF | CAG | H8 | H9 | 114.8° | 119.9° |
| CAF | CAE | CAD | H4 | 119.8° | 120.0° |
| CAF | CAE | CAD | H5 | 119.8° | 120.0° |
| CAF | CAE | CAD | CAC | 177.5° | 180.0° |
| CAF | CAE | CAD | H2 | 57.4° | 60.0° |
| CAF | CAE | CAD | H3 | 62.3° | 60.0° |
| CAF | CAE | H4 | H5 | 120.6° | 120.0° |
| CAE | CAF | H6 | H7 | 118.0° | 120.0° |
| CAE | CAF | CAG | H8 | 179.9° | 60.0° |
| CAE | CAF | CAG | H9 | 63.3° | 60.0° |
| CAE | CAD | CAC | OAA | 76.3° | 0.0° |
| CAE | CAD | CAC | H2 | 120.1° | 120.0° |
| CAE | CAD | CAC | H3 | 120.1° | 120.0° |
| CAE | CAD | CAC | OAB | 106.5° | 179.7° |
| CAE | CAD | H2 | H3 | 119.5° | 120.0° |
| CAD | CAE | H4 | H5 | 120.6° | 119.9° |
| CAD | CAE | CAF | H6 | 65.9° | 60.0° |
| CAD | CAE | CAF | H7 | 52.9° | 60.0° |
| OAA | CAC | CAD | OAB | 177.2° | 179.7° |
| OAA | CAC | OAB | H1 | 0.0° | 0.0° |
| OAA | CAC | CAD | H2 | 163.5° | 120.0° |
| OAA | CAC | CAD | H3 | 43.8° | 120.0° |
| CAD | CAC | OAB | H1 | 177.0° | 179.7° |
| CAC | CAD | H2 | H3 | 119.5° | 120.0° |
| CAC | CAD | CAE | H4 | 62.6° | 60.0° |
| CAC | CAD | CAE | H5 | 57.8° | 60.0° |
| OAB | CAC | CAD | H2 | 13.7° | 60.3° |
| OAB | CAC | CAD | H3 | 133.4° | 59.7° |
| H2 | CAD | CAE | H4 | 177.2° | 180.0° |
| H2 | CAD | CAE | H5 | 62.4° | 60.0° |
| H3 | CAD | CAE | H4 | 57.5° | 60.0° |
| H3 | CAD | CAE | H5 | 177.9° | 180.0° |
| H4 | CAE | CAF | H6 | 174.3° | 179.9° |
| H4 | CAE | CAF | H7 | 66.9° | 59.9° |
| H5 | CAE | CAF | H6 | 53.9° | 60.0° |
| H5 | CAE | CAF | H7 | 172.6° | 180.0° |
| H6 | CAF | CAG | H8 | 59.3° | 180.0° |
| H6 | CAF | CAG | H9 | 176.1° | 60.0° |
| H7 | CAF | CAG | H8 | 59.5° | 60.1° |
| H7 | CAF | CAG | H9 | 57.3° | 180.0° |
| H10 | CAK | CAL | H12 | 58.8° | 60.0° |
| H10 | CAK | CAL | H13 | 178.8° | 180.0° |
| H10 | CAK | CAL | H14 | 61.2° | 60.0° |
| H11 | CAK | CAL | H12 | 58.7° | 60.0° |
| H11 | CAK | CAL | H13 | 61.3° | 60.0° |
| H11 | CAK | CAL | H14 | 178.8° | 180.0° |
| H12 | CAL | H13 | H14 | 120.0° | 120.0° |
