D1X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAH | OAA | sing | 1.35Å | 1.25Å | |
| OAA | HOAA | sing | 0.97Å | 0.95Å | |
| OAB | CAK | doub | 1.21Å | 1.23Å | |
| CAH | OAC | doub | 1.21Å | 1.25Å | |
| CAI | OAD | doub | 1.21Å | 1.36Å | |
| CAI | CAE | sing | 1.47Å | 1.39Å | |
| CAJ | CAE | doub | 1.35Å | 1.40Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAK | CAF | sing | 1.51Å | 1.40Å | |
| CAF | CAJ | sing | 1.51Å | 1.40Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| CAF | HAFA | sing | 1.09Å | 1.10Å | |
| CAK | NAG | sing | 1.35Å | 1.41Å | |
| NAG | CAI | sing | 1.34Å | 1.40Å | |
| NAG | HNAG | sing | 0.97Å | 1.00Å | |
| CAJ | CAH | sing | 1.48Å | 1.53Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAH | OAA | HOAA | 109.5° | 117.0° |
| OAA | CAH | OAC | 124.3° | 120.0° |
| OAA | CAH | CAJ | 117.3° | 120.0° |
| OAB | CAK | CAF | 120.4° | 120.4° |
| OAB | CAK | NAG | 119.8° | 120.4° |
| OAC | CAH | CAJ | 118.3° | 120.0° |
| OAD | CAI | CAE | 120.3° | 118.7° |
| OAD | CAI | NAG | 120.0° | 118.7° |
| CAI | CAE | CAJ | 120.1° | 120.4° |
| CAI | CAE | HAE | 119.9° | 119.7° |
| CAE | CAI | NAG | 119.7° | 122.6° |
| CAJ | CAE | HAE | 119.9° | 119.8° |
| CAE | CAJ | CAF | 120.4° | 117.9° |
| CAE | CAJ | CAH | 119.4° | 121.0° |
| CAK | CAF | CAJ | 119.9° | 117.7° |
| CAK | CAF | HAF | 106.1° | 107.8° |
| CAK | CAF | HAFA | 106.1° | 107.7° |
| CAF | CAK | NAG | 119.8° | 119.2° |
| CAJ | CAF | HAF | 106.1° | 107.8° |
| CAJ | CAF | HAFA | 106.1° | 107.8° |
| CAF | CAJ | CAH | 120.1° | 121.0° |
| HAF | CAF | HAFA | 112.6° | 107.5° |
| CAK | NAG | CAI | 120.1° | 122.1° |
| CAK | NAG | HNAG | 119.9° | 119.0° |
| CAI | NAG | HNAG | 119.9° | 118.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAH | OAC | CAJ | 179.8° | 180.0° |
| OAA | CAH | CAJ | CAE | 35.1° | 180.0° |
| OAA | CAH | CAJ | CAF | 144.3° | 0.0° |
| HOAA | OAA | CAH | OAC | 0.0° | 0.0° |
| HOAA | OAA | CAH | CAJ | 179.7° | 180.0° |
| OAB | CAK | CAF | NAG | 179.8° | 179.7° |
| OAB | CAK | CAF | CAJ | 179.9° | 180.0° |
| OAB | CAK | CAF | HAF | 59.9° | 57.9° |
| OAB | CAK | CAF | HAFA | 60.1° | 58.0° |
| OAB | CAK | NAG | CAI | 179.9° | 180.0° |
| OAB | CAK | NAG | HNAG | 0.1° | 0.1° |
| OAC | CAH | CAJ | CAE | 145.1° | 0.0° |
| OAC | CAH | CAJ | CAF | 35.5° | 180.0° |
| OAD | CAI | CAE | NAG | 180.0° | 179.9° |
| OAD | CAI | CAE | CAJ | 179.9° | 179.8° |
| OAD | CAI | CAE | HAE | 0.1° | 0.1° |
| OAD | CAI | NAG | CAK | 180.0° | 179.8° |
| OAD | CAI | NAG | HNAG | 0.0° | 0.0° |
| CAI | CAE | CAJ | HAE | 180.0° | 179.7° |
| CAI | CAE | CAJ | CAF | 0.1° | 0.2° |
| CAE | CAI | NAG | CAK | 0.0° | 0.0° |
| CAE | CAI | NAG | HNAG | 180.0° | 179.9° |
| CAI | CAE | CAJ | CAH | 179.6° | 179.7° |
| CAE | CAJ | CAF | CAK | 0.0° | 0.1° |
| CAE | CAJ | CAF | CAH | 179.4° | 179.9° |
| CAE | CAJ | CAF | HAF | 120.0° | 122.1° |
| CAE | CAJ | CAF | HAFA | 120.0° | 122.1° |
| CAJ | CAE | CAI | NAG | 0.1° | 0.3° |
| HAE | CAE | CAJ | CAF | 179.9° | 180.0° |
| HAE | CAE | CAI | NAG | 179.9° | 180.0° |
| HAE | CAE | CAJ | CAH | 0.4° | 0.1° |
| CAK | CAF | CAJ | HAF | 120.0° | 122.2° |
| CAK | CAF | CAJ | HAFA | 120.0° | 122.0° |
| CAK | CAF | HAF | HAFA | 115.7° | 115.9° |
| CAF | CAK | NAG | CAI | 0.1° | 0.3° |
| CAF | CAK | NAG | HNAG | 179.9° | 179.8° |
| CAK | CAF | CAJ | CAH | 179.4° | 180.0° |
| CAJ | CAF | HAF | HAFA | 115.7° | 116.0° |
| CAJ | CAF | CAK | NAG | 0.1° | 0.4° |
| HAF | CAF | CAK | NAG | 119.9° | 121.8° |
| HAF | CAF | CAJ | CAH | 60.6° | 57.8° |
| HAFA | CAF | CAK | NAG | 120.1° | 122.4° |
| HAFA | CAF | CAJ | CAH | 59.4° | 58.0° |
| CAK | NAG | CAI | HNAG | 180.0° | 179.9° |
