XYM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAI | sing | 1.34Å | 1.25Å | |
| OAB | CAJ | doub | 1.22Å | 1.26Å | |
| OAC | CAI | doub | 1.21Å | 1.24Å | |
| OAD | CAJ | sing | 1.35Å | 1.27Å | |
| OAE | CAK | sing | 1.36Å | 1.36Å | |
| CAF | SAH | sing | 1.76Å | 1.69Å | |
| CAF | CAK | doub | 1.35Å | 1.37Å | |
| CAG | SAH | sing | 1.81Å | 1.81Å | |
| CAG | CAI | sing | 1.51Å | 1.51Å | |
| CAJ | CAK | sing | 1.41Å | 1.52Å | |
| OAA | HOAA | sing | 0.97Å | 0.95Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| OAE | HOAE | sing | 0.97Å | 0.95Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAG | HAGA | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAI | OAC | 126.8° | 120.0° |
| OAA | CAI | CAG | 117.7° | 120.0° |
| CAI | OAA | HOAA | 109.5° | 117.0° |
| OAB | CAJ | OAD | 126.8° | 120.0° |
| OAB | CAJ | CAK | 115.6° | 120.0° |
| OAC | CAI | CAG | 115.5° | 120.0° |
| OAD | CAJ | CAK | 117.5° | 120.0° |
| CAJ | OAD | HOAD | 109.5° | 113.9° |
| OAE | CAK | CAF | 120.4° | 120.1° |
| OAE | CAK | CAJ | 124.7° | 120.0° |
| CAK | OAE | HOAE | 109.5° | 114.1° |
| SAH | CAF | CAK | 117.0° | 120.0° |
| CAF | SAH | CAG | 95.1° | 100.0° |
| SAH | CAF | HAF | 121.5° | 120.0° |
| CAF | CAK | CAJ | 114.8° | 120.0° |
| CAK | CAF | HAF | 121.6° | 120.0° |
| SAH | CAG | CAI | 106.8° | 109.5° |
| SAH | CAG | HAG | 110.4° | 109.5° |
| SAH | CAG | HAGA | 110.3° | 109.5° |
| CAI | CAG | HAG | 110.4° | 109.4° |
| CAI | CAG | HAGA | 110.4° | 109.4° |
| HAG | CAG | HAGA | 108.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAI | OAC | CAG | 178.4° | 180.0° |
| OAA | CAI | CAG | SAH | 26.6° | 180.0° |
| OAA | CAI | CAG | HAG | 146.6° | 60.0° |
| OAA | CAI | CAG | HAGA | 93.4° | 60.0° |
| OAB | CAJ | OAD | CAK | 175.5° | 180.0° |
| OAB | CAJ | CAK | OAE | 143.7° | 180.0° |
| OAB | CAJ | CAK | CAF | 36.8° | 0.0° |
| OAB | CAJ | OAD | HOAD | 0.0° | 0.0° |
| OAC | CAI | CAG | SAH | 154.9° | 0.0° |
| OAC | CAI | OAA | HOAA | 0.0° | 0.0° |
| OAC | CAI | CAG | HAG | 34.9° | 120.0° |
| OAC | CAI | CAG | HAGA | 85.1° | 120.0° |
| OAD | CAJ | CAK | OAE | 40.4° | 0.0° |
| OAD | CAJ | CAK | CAF | 139.2° | 180.0° |
| OAE | CAK | CAF | SAH | 0.5° | 0.0° |
| OAE | CAK | CAF | CAJ | 179.5° | 180.0° |
| OAE | CAK | CAF | HAF | 179.5° | 180.0° |
| SAH | CAF | CAK | HAF | 180.0° | 180.0° |
| CAF | SAH | CAG | CAI | 85.4° | 180.0° |
| SAH | CAF | CAK | CAJ | 179.0° | 180.0° |
| CAF | SAH | CAG | HAG | 34.6° | 60.0° |
| CAF | SAH | CAG | HAGA | 154.6° | 60.0° |
| CAK | CAF | SAH | CAG | 121.6° | 180.0° |
| CAF | CAK | OAE | HOAE | 180.0° | 180.0° |
| SAH | CAG | CAI | HAG | 120.0° | 120.0° |
| SAH | CAG | CAI | HAGA | 120.0° | 120.0° |
| CAG | SAH | CAF | HAF | 58.4° | 0.0° |
| SAH | CAG | HAG | HAGA | 121.1° | 120.0° |
| CAG | CAI | OAA | HOAA | 178.3° | 180.0° |
| CAI | CAG | HAG | HAGA | 121.1° | 120.0° |
| CAK | CAJ | OAD | HOAD | 175.5° | 180.0° |
| CAJ | CAK | OAE | HOAE | 0.5° | 0.0° |
| CAJ | CAK | CAF | HAF | 1.0° | 0.0° |
