1AX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | CAF | sing | 1.43Å | 1.43Å | |
| CAF | CAK | sing | 1.53Å | 1.54Å | |
| CAH | OAI | sing | 1.43Å | 1.43Å | |
| CAH | CAK | sing | 1.53Å | 1.53Å | |
| OAI | CAG | sing | 1.43Å | 1.44Å | |
| OAC | CAJ | sing | 1.43Å | 1.44Å | |
| CAK | OAD | sing | 1.43Å | 1.44Å | |
| CAG | CAJ | sing | 1.53Å | 1.54Å | |
| CAJ | CAE | sing | 1.53Å | 1.54Å | |
| CAE | OAA | sing | 1.43Å | 1.44Å | |
| OAA | H1 | sing | 0.97Å | 0.95Å | |
| CAE | H2 | sing | 1.09Å | 1.10Å | |
| CAE | H3 | sing | 1.09Å | 1.10Å | |
| CAJ | H4 | sing | 1.09Å | 1.10Å | |
| OAC | H5 | sing | 0.97Å | 0.95Å | |
| CAG | H6 | sing | 1.09Å | 1.10Å | |
| CAG | H7 | sing | 1.09Å | 1.10Å | |
| CAH | H8 | sing | 1.09Å | 1.10Å | |
| CAH | H9 | sing | 1.09Å | 1.10Å | |
| CAK | H10 | sing | 1.09Å | 1.10Å | |
| OAD | H11 | sing | 0.97Å | 0.95Å | |
| CAF | H12 | sing | 1.09Å | 1.10Å | |
| CAF | H13 | sing | 1.09Å | 1.10Å | |
| OAB | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | CAF | CAK | 110.1° | 109.5° |
| OAB | CAF | H12 | 109.3° | 109.5° |
| OAB | CAF | H13 | 109.3° | 109.5° |
| CAF | OAB | H14 | 109.5° | 114.0° |
| CAF | CAK | CAH | 109.9° | 109.5° |
| CAF | CAK | OAD | 109.8° | 109.5° |
| CAF | CAK | H10 | 108.9° | 109.5° |
| CAK | CAF | H12 | 109.3° | 109.5° |
| CAK | CAF | H13 | 109.3° | 109.5° |
| OAI | CAH | CAK | 110.4° | 109.5° |
| CAH | OAI | CAG | 114.0° | 114.0° |
| OAI | CAH | H8 | 109.2° | 109.4° |
| OAI | CAH | H9 | 109.2° | 109.5° |
| CAH | CAK | OAD | 109.0° | 109.5° |
| CAK | CAH | H8 | 109.2° | 109.5° |
| CAK | CAH | H9 | 109.2° | 109.5° |
| CAH | CAK | H10 | 109.0° | 109.4° |
| OAI | CAG | CAJ | 110.0° | 109.4° |
| OAI | CAG | H6 | 109.3° | 109.5° |
| OAI | CAG | H7 | 109.3° | 109.5° |
| OAC | CAJ | CAG | 109.8° | 109.5° |
| OAC | CAJ | CAE | 109.4° | 109.5° |
| OAC | CAJ | H4 | 110.0° | 109.5° |
| CAJ | OAC | H5 | 109.5° | 114.0° |
| OAD | CAK | H10 | 110.3° | 109.4° |
| CAK | OAD | H11 | 109.5° | 114.0° |
| CAG | CAJ | CAE | 110.3° | 109.4° |
| CAG | CAJ | H4 | 108.7° | 109.4° |
| CAJ | CAG | H6 | 109.3° | 109.4° |
| CAJ | CAG | H7 | 109.3° | 109.5° |
| CAJ | CAE | OAA | 111.1° | 109.5° |
| CAJ | CAE | H2 | 109.1° | 109.5° |
| CAJ | CAE | H3 | 109.0° | 109.5° |
| CAE | CAJ | H4 | 108.7° | 109.5° |
| CAE | OAA | H1 | 109.5° | 114.0° |
| OAA | CAE | H2 | 109.1° | 109.5° |
| OAA | CAE | H3 | 109.1° | 109.5° |
| H2 | CAE | H3 | 109.5° | 109.5° |
| H6 | CAG | H7 | 109.5° | 109.5° |
| H8 | CAH | H9 | 109.5° | 109.5° |
| H12 | CAF | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | CAF | CAK | H12 | 120.1° | 120.0° |
| OAB | CAF | CAK | H13 | 120.1° | 120.0° |
| OAB | CAF | CAK | CAH | 91.9° | 175.0° |
| OAB | CAF | CAK | OAD | 148.2° | 65.0° |
| OAB | CAF | CAK | H10 | 27.3° | 55.0° |
| OAB | CAF | H12 | H13 | 119.7° | 120.0° |
| CAF | CAK | CAH | OAI | 145.7° | 175.0° |
| CAF | CAK | CAH | OAD | 120.4° | 120.0° |
| CAF | CAK | CAH | H10 | 119.3° | 120.0° |
| CAF | CAK | OAD | H10 | 120.1° | 120.0° |
| CAF | CAK | CAH | H8 | 25.6° | 55.0° |
| CAF | CAK | CAH | H9 | 94.1° | 65.0° |
| CAF | CAK | OAD | H11 | 180.0° | 60.0° |
| CAK | CAF | H12 | H13 | 119.7° | 120.0° |
| CAK | CAF | OAB | H14 | 180.0° | 180.0° |
| OAI | CAH | CAK | H8 | 120.1° | 120.0° |
| OAI | CAH | CAK | H9 | 120.1° | 120.1° |
| OAI | CAH | CAK | OAD | 93.9° | 65.0° |
| CAH | OAI | CAG | CAJ | 176.9° | 180.0° |
| CAH | OAI | CAG | H6 | 56.8° | 60.1° |
| CAH | OAI | CAG | H7 | 63.0° | 59.9° |
| OAI | CAH | H8 | H9 | 119.5° | 120.0° |
| OAI | CAH | CAK | H10 | 26.5° | 54.9° |
| CAK | CAH | OAI | CAG | 114.9° | 180.0° |
| CAH | CAK | OAD | H10 | 119.6° | 119.9° |
| CAK | CAH | H8 | H9 | 119.6° | 120.0° |
| CAH | CAK | OAD | H11 | 59.6° | 60.0° |
| CAH | CAK | CAF | H12 | 148.0° | 55.0° |
| CAH | CAK | CAF | H13 | 28.1° | 65.0° |
| OAI | CAG | CAJ | OAC | 77.6° | 65.0° |
| OAI | CAG | CAJ | H6 | 120.1° | 119.9° |
| OAI | CAG | CAJ | H7 | 120.1° | 120.0° |
| OAI | CAG | CAJ | CAE | 161.8° | 175.0° |
| OAI | CAG | CAJ | H4 | 42.8° | 55.0° |
| OAI | CAG | H6 | H7 | 119.8° | 120.0° |
| CAG | OAI | CAH | H8 | 125.0° | 60.1° |
| CAG | OAI | CAH | H9 | 5.2° | 59.9° |
| OAC | CAJ | CAG | CAE | 120.6° | 120.0° |
| OAC | CAJ | CAG | H4 | 120.4° | 120.0° |
| OAC | CAJ | CAE | H4 | 120.2° | 120.1° |
| OAC | CAJ | CAE | OAA | 134.5° | 65.0° |
| OAC | CAJ | CAE | H2 | 105.2° | 55.0° |
| OAC | CAJ | CAE | H3 | 14.3° | 175.0° |
| OAC | CAJ | CAG | H6 | 162.4° | 55.0° |
| OAC | CAJ | CAG | H7 | 42.5° | 175.0° |
| OAD | CAK | CAH | H8 | 146.0° | 175.0° |
| OAD | CAK | CAH | H9 | 26.2° | 55.1° |
| OAD | CAK | CAF | H12 | 28.1° | 175.0° |
| OAD | CAK | CAF | H13 | 91.7° | 55.0° |
| CAG | CAJ | CAE | H4 | 119.0° | 119.9° |
| CAG | CAJ | CAE | OAA | 104.7° | 175.0° |
| CAG | CAJ | CAE | H2 | 15.6° | 65.0° |
| CAG | CAJ | CAE | H3 | 135.1° | 55.0° |
| CAG | CAJ | OAC | H5 | 180.0° | 60.0° |
| CAJ | CAG | H6 | H7 | 119.7° | 120.0° |
| CAJ | CAE | OAA | H2 | 120.2° | 120.0° |
| CAJ | CAE | OAA | H3 | 120.2° | 120.0° |
| CAJ | CAE | OAA | H1 | 180.0° | 180.0° |
| CAJ | CAE | H2 | H3 | 119.2° | 120.0° |
| CAE | CAJ | OAC | H5 | 58.9° | 60.0° |
| CAE | CAJ | CAG | H6 | 41.8° | 65.1° |
| CAE | CAJ | CAG | H7 | 78.1° | 55.0° |
| OAA | CAE | H2 | H3 | 119.3° | 120.0° |
| OAA | CAE | CAJ | H4 | 14.4° | 55.1° |
| H1 | OAA | CAE | H2 | 59.7° | 60.0° |
| H1 | OAA | CAE | H3 | 59.8° | 60.0° |
| H2 | CAE | CAJ | H4 | 134.6° | 175.1° |
| H3 | CAE | CAJ | H4 | 105.9° | 64.9° |
| H4 | CAJ | OAC | H5 | 60.4° | 180.0° |
| H4 | CAJ | CAG | H6 | 77.3° | 175.0° |
| H4 | CAJ | CAG | H7 | 162.9° | 65.0° |
| H8 | CAH | CAK | H10 | 93.7° | 65.0° |
| H9 | CAH | CAK | H10 | 146.6° | 175.0° |
| H10 | CAK | OAD | H11 | 59.9° | 180.0° |
| H10 | CAK | CAF | H12 | 92.7° | 65.0° |
| H10 | CAK | CAF | H13 | 147.4° | 175.0° |
| H12 | CAF | OAB | H14 | 59.9° | 60.0° |
| H13 | CAF | OAB | H14 | 59.9° | 60.0° |
