AUD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAJ | CAC | sing | 1.51Å | 1.52Å | |
| CAC | OAB | sing | 1.35Å | 1.45Å | |
| CAC | CAD | doub | 1.34Å | 1.40Å | |
| OAB | SAA | sing | 1.61Å | 1.58Å | |
| SAA | OAG | doub | 1.42Å | 1.47Å | |
| SAA | OAH | doub | 1.42Å | 1.46Å | |
| SAA | NAF | sing | 1.66Å | 1.59Å | |
| NAF | CAE | sing | 1.35Å | 1.40Å | |
| CAE | OAI | doub | 1.22Å | 1.18Å | |
| CAE | CAD | sing | 1.41Å | 1.60Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | HAK | sing | 1.09Å | 1.10Å | |
| CAJ | HAL | sing | 1.09Å | 1.10Å | |
| NAF | HAF | sing | 0.97Å | 1.00Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAJ | CAC | OAB | 119.0° | 119.0° |
| CAJ | CAC | CAD | 119.5° | 118.9° |
| CAC | CAJ | HAJ | 109.5° | 109.4° |
| CAC | CAJ | HAK | 109.4° | 109.5° |
| CAC | CAJ | HAL | 109.5° | 109.4° |
| OAB | CAC | CAD | 120.0° | 122.1° |
| CAC | OAB | SAA | 115.9° | 116.0° |
| CAC | CAD | CAE | 121.3° | 123.4° |
| CAC | CAD | HAD | 119.4° | 118.3° |
| OAB | SAA | OAG | 106.6° | 106.7° |
| OAB | SAA | OAH | 104.4° | 106.7° |
| OAB | SAA | NAF | 115.6° | 105.5° |
| OAG | SAA | OAH | 118.7° | 123.4° |
| OAG | SAA | NAF | 103.2° | 106.7° |
| OAH | SAA | NAF | 108.8° | 106.7° |
| SAA | NAF | CAE | 118.0° | 118.1° |
| SAA | NAF | HAF | 121.0° | 121.0° |
| NAF | CAE | OAI | 121.4° | 119.6° |
| NAF | CAE | CAD | 119.5° | 120.7° |
| CAE | NAF | HAF | 121.0° | 120.9° |
| OAI | CAE | CAD | 119.1° | 119.6° |
| CAE | CAD | HAD | 119.4° | 118.4° |
| HAJ | CAJ | HAK | 109.5° | 109.5° |
| HAJ | CAJ | HAL | 109.4° | 109.5° |
| HAK | CAJ | HAL | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAJ | CAC | OAB | CAD | 165.6° | 179.8° |
| CAJ | CAC | OAB | SAA | 161.9° | 148.1° |
| CAJ | CAC | CAD | CAE | 177.4° | 178.8° |
| CAC | CAJ | HAJ | HAK | 120.0° | 120.0° |
| CAC | CAJ | HAJ | HAL | 120.0° | 120.0° |
| CAC | CAJ | HAK | HAL | 120.0° | 120.0° |
| CAJ | CAC | CAD | HAD | 2.5° | 1.4° |
| CAC | OAB | SAA | OAG | 150.2° | 71.0° |
| CAC | OAB | SAA | OAH | 83.4° | 155.4° |
| CAC | OAB | SAA | NAF | 36.1° | 42.2° |
| OAB | CAC | CAD | CAE | 11.9° | 1.0° |
| OAB | CAC | CAJ | HAJ | 0.0° | 0.1° |
| OAB | CAC | CAJ | HAK | 120.0° | 120.0° |
| OAB | CAC | CAJ | HAL | 120.0° | 120.0° |
| OAB | CAC | CAD | HAD | 168.1° | 178.8° |
| CAD | CAC | OAB | SAA | 32.5° | 31.7° |
| CAC | CAD | CAE | NAF | 5.9° | 14.3° |
| CAC | CAD | CAE | OAI | 175.0° | 166.0° |
| CAC | CAD | CAE | HAD | 180.0° | 179.7° |
| CAD | CAC | CAJ | HAJ | 165.7° | 179.7° |
| CAD | CAC | CAJ | HAK | 74.3° | 60.2° |
| CAD | CAC | CAJ | HAL | 45.7° | 59.8° |
| OAB | SAA | OAG | OAH | 117.4° | 123.8° |
| OAB | SAA | OAG | NAF | 122.3° | 112.4° |
| OAB | SAA | OAH | NAF | 124.0° | 112.4° |
| OAB | SAA | NAF | CAE | 19.3° | 28.5° |
| OAB | SAA | NAF | HAF | 160.7° | 151.5° |
| OAG | SAA | OAH | NAF | 117.5° | 123.8° |
| OAG | SAA | NAF | CAE | 135.4° | 84.7° |
| OAG | SAA | NAF | HAF | 44.6° | 95.3° |
| OAH | SAA | NAF | CAE | 97.7° | 141.7° |
| OAH | SAA | NAF | HAF | 82.3° | 38.3° |
| SAA | NAF | CAE | HAF | 180.0° | 180.0° |
| SAA | NAF | CAE | OAI | 179.9° | 176.5° |
| SAA | NAF | CAE | CAD | 0.8° | 3.2° |
| NAF | CAE | OAI | CAD | 179.1° | 179.7° |
| NAF | CAE | CAD | HAD | 174.2° | 166.0° |
| OAI | CAE | NAF | HAF | 0.1° | 3.5° |
| OAI | CAE | CAD | HAD | 5.0° | 13.8° |
| CAD | CAE | NAF | HAF | 179.2° | 176.8° |
| HAJ | CAJ | HAK | HAL | 120.0° | 120.0° |
