AOD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAN | sing | 1.35Å | 1.43Å | |
| OAB | CAO | sing | 1.34Å | 1.43Å | |
| OAC | CAN | doub | 1.22Å | 1.23Å | |
| OAD | CAO | doub | 1.21Å | 1.23Å | |
| BRAE | CAP | sing | 1.89Å | 1.82Å | |
| CAF | CAG | doub | 1.38Å | 1.41Å | Aromatic |
| CAF | CAP | sing | 1.39Å | 1.36Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | CAQ | sing | 1.39Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | CAP | doub | 1.38Å | 1.38Å | Aromatic |
| CAH | CAR | sing | 1.40Å | 1.44Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | CAJ | sing | 1.53Å | 1.52Å | |
| CAI | CAK | sing | 1.53Å | 1.51Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAI | HAIA | sing | 1.09Å | 1.10Å | |
| CAJ | CAS | sing | 1.53Å | 1.47Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å | |
| CAK | CAT | sing | 1.53Å | 1.54Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å | |
| CAL | CAS | sing | 1.53Å | 1.48Å | |
| CAL | CAT | sing | 1.53Å | 1.50Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HALA | sing | 1.09Å | 1.10Å | |
| NAM | CAQ | sing | 1.39Å | 1.37Å | |
| NAM | CAS | sing | 1.47Å | 1.47Å | |
| NAM | HNAM | sing | 0.97Å | 1.00Å | |
| CAN | CAR | sing | 1.47Å | 1.50Å | |
| CAO | CAT | sing | 1.51Å | 1.48Å | |
| CAQ | CAR | doub | 1.40Å | 1.40Å | Aromatic |
| CAS | HAS | sing | 1.09Å | 1.10Å | |
| CAT | HAT | sing | 1.09Å | 1.10Å | |
| OAA | H15 | sing | 0.97Å | 0.95Å | |
| OAB | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAN | OAC | 122.9° | 120.0° |
| OAA | CAN | CAR | 120.5° | 120.0° |
| CAN | OAA | H15 | 109.5° | 117.0° |
| OAB | CAO | OAD | 123.9° | 120.0° |
| OAB | CAO | CAT | 114.7° | 120.0° |
| CAO | OAB | H16 | 109.5° | 117.0° |
| OAC | CAN | CAR | 116.6° | 120.0° |
| OAD | CAO | CAT | 121.4° | 120.0° |
| BRAE | CAP | CAF | 120.0° | 119.9° |
| BRAE | CAP | CAH | 119.6° | 119.8° |
| CAG | CAF | CAP | 120.6° | 120.5° |
| CAG | CAF | HAF | 119.7° | 119.8° |
| CAF | CAG | CAQ | 119.5° | 120.1° |
| CAF | CAG | HAG | 120.2° | 120.0° |
| CAP | CAF | HAF | 119.7° | 119.8° |
| CAF | CAP | CAH | 120.3° | 120.3° |
| CAQ | CAG | HAG | 120.2° | 120.0° |
| CAG | CAQ | NAM | 118.7° | 120.1° |
| CAG | CAQ | CAR | 121.4° | 119.7° |
| CAP | CAH | CAR | 121.0° | 119.9° |
| CAP | CAH | HAH | 119.5° | 120.1° |
| CAR | CAH | HAH | 119.5° | 120.0° |
| CAH | CAR | CAN | 118.1° | 120.2° |
| CAH | CAR | CAQ | 117.0° | 119.6° |
| CAJ | CAI | CAK | 113.1° | 109.5° |
| CAJ | CAI | HAI | 108.3° | 109.5° |
| CAJ | CAI | HAIA | 108.3° | 109.4° |
| CAI | CAJ | CAS | 113.9° | 109.5° |
| CAI | CAJ | HAJ | 108.0° | 109.5° |
| CAI | CAJ | HAJA | 108.0° | 109.5° |
| CAK | CAI | HAI | 108.3° | 109.5° |
| CAK | CAI | HAIA | 108.3° | 109.4° |
| CAI | CAK | CAT | 110.4° | 109.5° |
| CAI | CAK | HAK | 109.1° | 109.5° |
| CAI | CAK | HAKA | 109.2° | 109.5° |
| HAI | CAI | HAIA | 110.6° | 109.5° |
| CAS | CAJ | HAJ | 108.0° | 109.5° |
| CAS | CAJ | HAJA | 108.0° | 109.4° |
| CAJ | CAS | CAL | 113.2° | 109.5° |
| CAJ | CAS | NAM | 116.5° | 109.5° |
| CAJ | CAS | HAS | 102.6° | 109.5° |
| HAJ | CAJ | HAJA | 110.9° | 109.5° |
| CAT | CAK | HAK | 109.2° | 109.5° |
| CAT | CAK | HAKA | 109.1° | 109.4° |
| CAK | CAT | CAL | 115.2° | 109.5° |
| CAK | CAT | CAO | 117.6° | 109.5° |
| CAK | CAT | HAT | 98.9° | 109.5° |
| HAK | CAK | HAKA | 109.8° | 109.5° |
| CAS | CAL | CAT | 117.7° | 109.5° |
| CAS | CAL | HAL | 106.8° | 109.4° |
| CAS | CAL | HALA | 106.8° | 109.5° |
| CAL | CAS | NAM | 113.1° | 109.5° |
| CAL | CAS | HAS | 107.0° | 109.5° |
| CAT | CAL | HAL | 106.8° | 109.5° |
| CAT | CAL | HALA | 106.8° | 109.5° |
| CAL | CAT | CAO | 110.9° | 109.5° |
| CAL | CAT | HAT | 107.8° | 109.5° |
| HAL | CAL | HALA | 112.0° | 109.5° |
| CAQ | NAM | CAS | 117.8° | 120.0° |
| CAQ | NAM | HNAM | 106.8° | 120.0° |
| NAM | CAQ | CAR | 119.8° | 120.2° |
| CAS | NAM | HNAM | 106.7° | 120.0° |
| NAM | CAS | HAS | 102.8° | 109.4° |
| CAN | CAR | CAQ | 124.8° | 120.2° |
| CAO | CAT | HAT | 104.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAN | OAC | CAR | 178.9° | 180.0° |
| OAA | CAN | CAR | CAH | 15.7° | 5.9° |
| OAA | CAN | CAR | CAQ | 165.9° | 174.2° |
| OAB | CAO | OAD | CAT | 179.5° | 179.9° |
| OAB | CAO | CAT | CAK | 35.6° | 60.0° |
| OAB | CAO | CAT | CAL | 99.9° | 180.0° |
| OAB | CAO | CAT | HAT | 144.1° | 60.0° |
| OAC | CAN | CAR | CAH | 163.2° | 174.1° |
| OAC | CAN | CAR | CAQ | 15.2° | 5.8° |
| OAC | CAN | OAA | H15 | 0.0° | 0.0° |
| OAD | CAO | CAT | CAK | 143.9° | 120.1° |
| OAD | CAO | CAT | CAL | 80.6° | 0.0° |
| OAD | CAO | CAT | HAT | 35.4° | 119.9° |
| OAD | CAO | OAB | H16 | 0.0° | 0.1° |
| BRAE | CAP | CAF | CAG | 174.9° | 180.0° |
| BRAE | CAP | CAF | CAH | 177.0° | 180.0° |
| BRAE | CAP | CAF | HAF | 5.1° | 0.2° |
| BRAE | CAP | CAH | CAR | 174.9° | 180.0° |
| BRAE | CAP | CAH | HAH | 5.2° | 0.1° |
| CAG | CAF | CAP | HAF | 180.0° | 179.8° |
| CAF | CAG | CAQ | HAG | 180.0° | 179.9° |
| CAG | CAF | CAP | CAH | 2.0° | 0.1° |
| CAF | CAG | CAQ | NAM | 177.9° | 180.0° |
| CAF | CAG | CAQ | CAR | 2.0° | 0.1° |
| CAP | CAF | CAG | CAQ | 1.9° | 0.1° |
| CAP | CAF | CAG | HAG | 178.1° | 180.0° |
| CAF | CAP | CAH | CAR | 2.1° | 0.1° |
| CAF | CAP | CAH | HAH | 177.9° | 180.0° |
| HAF | CAF | CAG | CAQ | 178.1° | 179.7° |
| HAF | CAF | CAG | HAG | 1.9° | 0.2° |
| HAF | CAF | CAP | CAH | 178.0° | 179.7° |
| CAG | CAQ | CAR | CAH | 2.0° | 0.1° |
| CAG | CAQ | NAM | CAR | 176.0° | 180.0° |
| CAG | CAQ | NAM | CAS | 85.9° | 5.7° |
| CAG | CAQ | NAM | HNAM | 154.2° | 174.3° |
| CAG | CAQ | CAR | CAN | 176.4° | 180.0° |
| HAG | CAG | CAQ | NAM | 2.1° | 0.1° |
| HAG | CAG | CAQ | CAR | 178.0° | 179.9° |
| CAP | CAH | CAR | HAH | 180.0° | 179.9° |
| CAP | CAH | CAR | CAN | 176.5° | 180.0° |
| CAP | CAH | CAR | CAQ | 2.1° | 0.1° |
| CAH | CAR | CAQ | NAM | 177.9° | 180.0° |
| CAH | CAR | CAN | CAQ | 178.4° | 179.9° |
| HAH | CAH | CAR | CAN | 3.6° | 0.1° |
| HAH | CAH | CAR | CAQ | 177.9° | 180.0° |
| CAJ | CAI | CAK | HAI | 120.0° | 120.1° |
| CAJ | CAI | CAK | HAIA | 120.0° | 120.0° |
| CAJ | CAI | HAI | HAIA | 118.5° | 120.0° |
| CAI | CAJ | CAS | HAJ | 120.0° | 120.0° |
| CAI | CAJ | CAS | HAJA | 120.0° | 120.0° |
| CAI | CAJ | HAJ | HAJA | 118.2° | 120.0° |
| CAJ | CAI | CAK | CAT | 51.1° | 60.0° |
| CAJ | CAI | CAK | HAK | 171.1° | 180.0° |
| CAJ | CAI | CAK | HAKA | 68.8° | 59.9° |
| CAI | CAJ | CAS | CAL | 47.8° | 60.0° |
| CAI | CAJ | CAS | NAM | 178.6° | 180.0° |
| CAI | CAJ | CAS | HAS | 67.2° | 60.0° |
| CAK | CAI | HAI | HAIA | 118.5° | 120.0° |
| CAK | CAI | CAJ | CAS | 54.9° | 60.0° |
| CAK | CAI | CAJ | HAJ | 65.1° | 60.0° |
| CAK | CAI | CAJ | HAJA | 174.9° | 180.0° |
| CAI | CAK | CAT | HAK | 120.0° | 120.0° |
| CAI | CAK | CAT | HAKA | 120.0° | 120.0° |
| CAI | CAK | HAK | HAKA | 119.6° | 120.1° |
| CAI | CAK | CAT | CAL | 44.0° | 60.0° |
| CAI | CAK | CAT | CAO | 177.6° | 180.0° |
| CAI | CAK | CAT | HAT | 70.6° | 60.0° |
| HAI | CAI | CAJ | CAS | 65.1° | 60.0° |
| HAI | CAI | CAJ | HAJ | 174.9° | 180.0° |
| HAI | CAI | CAJ | HAJA | 54.9° | 59.9° |
| HAI | CAI | CAK | CAT | 68.9° | 60.0° |
| HAI | CAI | CAK | HAK | 51.1° | 60.0° |
| HAI | CAI | CAK | HAKA | 171.2° | 180.0° |
| HAIA | CAI | CAJ | CAS | 174.9° | 180.0° |
| HAIA | CAI | CAJ | HAJ | 54.9° | 60.0° |
| HAIA | CAI | CAJ | HAJA | 65.1° | 60.1° |
| HAIA | CAI | CAK | CAT | 171.1° | 180.0° |
| HAIA | CAI | CAK | HAK | 68.9° | 60.0° |
| HAIA | CAI | CAK | HAKA | 51.2° | 60.0° |
| CAS | CAJ | HAJ | HAJA | 118.2° | 120.0° |
| CAJ | CAS | CAL | NAM | 135.2° | 120.0° |
| CAJ | CAS | CAL | HAS | 112.3° | 120.0° |
| CAJ | CAS | CAL | CAT | 41.2° | 60.0° |
| CAJ | CAS | CAL | HAL | 78.8° | 60.0° |
| CAJ | CAS | CAL | HALA | 161.2° | 180.0° |
| CAJ | CAS | NAM | CAQ | 161.8° | 85.0° |
| CAJ | CAS | NAM | HAS | 111.3° | 119.9° |
| CAJ | CAS | NAM | HNAM | 41.8° | 95.0° |
| HAJ | CAJ | CAS | CAL | 72.2° | 60.0° |
| HAJ | CAJ | CAS | NAM | 61.4° | 60.0° |
| HAJ | CAJ | CAS | HAS | 172.8° | 179.9° |
| HAJA | CAJ | CAS | CAL | 167.8° | 180.0° |
| HAJA | CAJ | CAS | NAM | 58.6° | 60.0° |
| HAJA | CAJ | CAS | HAS | 52.8° | 59.9° |
| CAT | CAK | HAK | HAKA | 119.6° | 119.9° |
| CAK | CAT | CAL | CAS | 40.1° | 60.0° |
| CAK | CAT | CAL | CAO | 136.7° | 120.0° |
| CAK | CAT | CAL | HAT | 109.4° | 120.0° |
| CAK | CAT | CAL | HAL | 79.9° | 60.0° |
| CAK | CAT | CAL | HALA | 160.1° | 180.0° |
| CAK | CAT | CAO | HAT | 108.5° | 120.0° |
| HAK | CAK | CAT | CAL | 163.9° | 180.0° |
| HAK | CAK | CAT | CAO | 62.4° | 60.0° |
| HAK | CAK | CAT | HAT | 49.3° | 60.0° |
| HAKA | CAK | CAT | CAL | 76.0° | 60.0° |
| HAKA | CAK | CAT | CAO | 57.7° | 60.0° |
| HAKA | CAK | CAT | HAT | 169.4° | 180.0° |
| CAS | CAL | CAT | HAL | 120.0° | 120.0° |
| CAS | CAL | CAT | HALA | 120.0° | 120.0° |
| CAS | CAL | HAL | HALA | 116.6° | 120.0° |
| CAL | CAS | NAM | CAQ | 64.5° | 154.9° |
| CAL | CAS | NAM | HAS | 115.0° | 120.0° |
| CAL | CAS | NAM | HNAM | 175.5° | 25.0° |
| CAS | CAL | CAT | CAO | 176.8° | 180.0° |
| CAS | CAL | CAT | HAT | 69.2° | 60.0° |
| CAT | CAL | HAL | HALA | 116.6° | 120.0° |
| CAT | CAL | CAS | NAM | 176.4° | 180.0° |
| CAL | CAT | CAO | HAT | 116.0° | 120.0° |
| CAT | CAL | CAS | HAS | 71.2° | 60.1° |
| HAL | CAL | CAS | NAM | 56.4° | 60.0° |
| HAL | CAL | CAT | CAO | 56.8° | 60.0° |
| HAL | CAL | CAS | HAS | 168.8° | 180.0° |
| HAL | CAL | CAT | HAT | 170.7° | 180.0° |
| HALA | CAL | CAS | NAM | 63.6° | 60.0° |
| HALA | CAL | CAT | CAO | 63.2° | 60.0° |
| HALA | CAL | CAS | HAS | 48.8° | 60.0° |
| HALA | CAL | CAT | HAT | 50.8° | 60.0° |
| CAQ | NAM | CAS | HNAM | 120.0° | 179.9° |
| NAM | CAQ | CAR | CAN | 0.5° | 0.0° |
| CAQ | NAM | CAS | HAS | 50.5° | 34.9° |
| CAS | NAM | CAQ | CAR | 98.1° | 174.3° |
| HNAM | NAM | CAQ | CAR | 21.8° | 5.7° |
| HNAM | NAM | CAS | HAS | 69.5° | 145.0° |
| CAR | CAN | OAA | H15 | 178.9° | 180.0° |
| CAT | CAO | OAB | H16 | 179.5° | 180.0° |
