8AC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | NAA | sing | 1.47Å | 1.50Å | |
| NAA | HNAA | sing | 1.01Å | 1.00Å | |
| NAA | HNAB | sing | 1.01Å | 1.00Å | |
| OAB | CAK | doub | 1.21Å | 1.28Å | |
| CAK | OAC | sing | 1.34Å | 1.26Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| CAE | CAD | sing | 1.53Å | 1.55Å | |
| CAD | HAD | sing | 1.09Å | 1.10Å | |
| CAD | HADA | sing | 1.09Å | 1.10Å | |
| CAE | CAF | sing | 1.53Å | 1.58Å | |
| CAE | HAE | sing | 1.09Å | 1.10Å | |
| CAE | HAEA | sing | 1.09Å | 1.10Å | |
| CAF | CAG | sing | 1.53Å | 1.57Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| CAF | HAFA | sing | 1.09Å | 1.10Å | |
| CAH | CAG | sing | 1.53Å | 1.56Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAG | HAGA | sing | 1.09Å | 1.10Å | |
| CAH | CAI | sing | 1.53Å | 1.59Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| CAH | HAHA | sing | 1.09Å | 1.10Å | |
| CAJ | CAI | sing | 1.53Å | 1.57Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAI | HAIA | sing | 1.09Å | 1.10Å | |
| CAK | CAJ | sing | 1.51Å | 1.58Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAD | NAA | HNAA | 109.5° | 111.0° |
| CAD | NAA | HNAB | 109.5° | 111.1° |
| NAA | CAD | CAE | 110.7° | 109.5° |
| NAA | CAD | HAD | 109.1° | 109.4° |
| NAA | CAD | HADA | 109.0° | 109.5° |
| HNAA | NAA | HNAB | 109.5° | 111.0° |
| OAB | CAK | OAC | 124.9° | 120.0° |
| OAB | CAK | CAJ | 118.7° | 120.0° |
| CAK | OAC | HOAC | 109.5° | 117.0° |
| OAC | CAK | CAJ | 116.2° | 120.0° |
| CAE | CAD | HAD | 109.0° | 109.4° |
| CAE | CAD | HADA | 109.0° | 109.5° |
| CAD | CAE | CAF | 114.7° | 109.5° |
| CAD | CAE | HAE | 107.8° | 109.5° |
| CAD | CAE | HAEA | 107.8° | 109.5° |
| HAD | CAD | HADA | 109.9° | 109.5° |
| CAF | CAE | HAE | 107.8° | 109.4° |
| CAF | CAE | HAEA | 107.8° | 109.5° |
| CAE | CAF | CAG | 114.5° | 109.5° |
| CAE | CAF | HAF | 107.9° | 109.4° |
| CAE | CAF | HAFA | 107.8° | 109.4° |
| HAE | CAE | HAEA | 111.1° | 109.4° |
| CAG | CAF | HAF | 107.8° | 109.5° |
| CAG | CAF | HAFA | 107.8° | 109.5° |
| CAF | CAG | CAH | 118.5° | 109.5° |
| CAF | CAG | HAG | 106.6° | 109.5° |
| CAF | CAG | HAGA | 106.6° | 109.5° |
| HAF | CAF | HAFA | 111.1° | 109.5° |
| CAH | CAG | HAG | 106.6° | 109.5° |
| CAH | CAG | HAGA | 106.6° | 109.4° |
| CAG | CAH | CAI | 112.8° | 109.5° |
| CAG | CAH | HAH | 108.4° | 109.5° |
| CAG | CAH | HAHA | 108.4° | 109.4° |
| HAG | CAG | HAGA | 112.2° | 109.5° |
| CAI | CAH | HAH | 108.4° | 109.5° |
| CAI | CAH | HAHA | 108.4° | 109.4° |
| CAH | CAI | CAJ | 113.7° | 109.5° |
| CAH | CAI | HAI | 108.1° | 109.5° |
| CAH | CAI | HAIA | 108.1° | 109.4° |
| HAH | CAH | HAHA | 110.6° | 109.5° |
| CAJ | CAI | HAI | 108.1° | 109.5° |
| CAJ | CAI | HAIA | 108.1° | 109.4° |
| CAI | CAJ | CAK | 119.3° | 109.5° |
| CAI | CAJ | HAJ | 106.3° | 109.5° |
| CAI | CAJ | HAJA | 106.4° | 109.4° |
| HAI | CAI | HAIA | 110.8° | 109.5° |
| CAK | CAJ | HAJ | 106.3° | 109.5° |
| CAK | CAJ | HAJA | 106.3° | 109.4° |
| HAJ | CAJ | HAJA | 112.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAD | NAA | HNAA | HNAB | 120.0° | 124.1° |
| NAA | CAD | CAE | HAD | 120.0° | 119.9° |
| NAA | CAD | CAE | HADA | 120.0° | 120.1° |
| NAA | CAD | HAD | HADA | 119.5° | 120.0° |
| NAA | CAD | CAE | CAF | 23.3° | 180.0° |
| NAA | CAD | CAE | HAE | 96.7° | 60.1° |
| NAA | CAD | CAE | HAEA | 143.2° | 59.9° |
| HNAA | NAA | CAD | CAE | 180.0° | 180.0° |
| HNAA | NAA | CAD | HAD | 60.0° | 60.1° |
| HNAA | NAA | CAD | HADA | 60.0° | 60.0° |
| HNAB | NAA | CAD | CAE | 60.0° | 55.9° |
| HNAB | NAA | CAD | HAD | 60.0° | 64.0° |
| HNAB | NAA | CAD | HADA | 180.0° | 176.0° |
| OAB | CAK | OAC | CAJ | 174.4° | 180.0° |
| OAB | CAK | OAC | HOAC | 0.0° | 0.0° |
| OAB | CAK | CAJ | CAI | 103.7° | 0.0° |
| OAB | CAK | CAJ | HAJ | 16.3° | 120.0° |
| OAB | CAK | CAJ | HAJA | 136.3° | 120.0° |
| OAC | CAK | CAJ | CAI | 81.5° | 180.0° |
| OAC | CAK | CAJ | HAJ | 158.5° | 60.0° |
| OAC | CAK | CAJ | HAJA | 38.5° | 60.0° |
| HOAC | OAC | CAK | CAJ | 174.4° | 180.0° |
| CAE | CAD | HAD | HADA | 119.5° | 120.0° |
| CAD | CAE | CAF | HAE | 120.0° | 120.0° |
| CAD | CAE | CAF | HAEA | 120.0° | 120.1° |
| CAD | CAE | HAE | HAEA | 117.9° | 120.0° |
| CAD | CAE | CAF | CAG | 127.6° | 180.0° |
| CAD | CAE | CAF | HAF | 112.5° | 60.0° |
| CAD | CAE | CAF | HAFA | 7.6° | 59.9° |
| HAD | CAD | CAE | CAF | 143.3° | 60.1° |
| HAD | CAD | CAE | HAE | 23.3° | 180.0° |
| HAD | CAD | CAE | HAEA | 96.8° | 60.0° |
| HADA | CAD | CAE | CAF | 96.7° | 60.0° |
| HADA | CAD | CAE | HAE | 143.3° | 60.0° |
| HADA | CAD | CAE | HAEA | 23.2° | 180.0° |
| CAF | CAE | HAE | HAEA | 117.9° | 120.0° |
| CAE | CAF | CAG | HAF | 120.0° | 120.0° |
| CAE | CAF | CAG | HAFA | 120.0° | 120.0° |
| CAE | CAF | HAF | HAFA | 118.0° | 119.9° |
| CAE | CAF | CAG | CAH | 89.2° | 180.0° |
| CAE | CAF | CAG | HAG | 150.8° | 60.0° |
| CAE | CAF | CAG | HAGA | 30.8° | 60.0° |
| HAE | CAE | CAF | CAG | 7.6° | 60.0° |
| HAE | CAE | CAF | HAF | 127.5° | 180.0° |
| HAE | CAE | CAF | HAFA | 112.4° | 60.0° |
| HAEA | CAE | CAF | CAG | 112.5° | 59.9° |
| HAEA | CAE | CAF | HAF | 7.5° | 60.0° |
| HAEA | CAE | CAF | HAFA | 127.5° | 180.0° |
| CAG | CAF | HAF | HAFA | 117.9° | 120.1° |
| CAF | CAG | CAH | HAG | 120.0° | 120.1° |
| CAF | CAG | CAH | HAGA | 120.0° | 120.0° |
| CAF | CAG | HAG | HAGA | 116.3° | 120.1° |
| CAF | CAG | CAH | CAI | 177.2° | 180.0° |
| CAF | CAG | CAH | HAH | 57.3° | 60.0° |
| CAF | CAG | CAH | HAHA | 62.8° | 60.0° |
| HAF | CAF | CAG | CAH | 30.8° | 60.0° |
| HAF | CAF | CAG | HAG | 89.2° | 180.0° |
| HAF | CAF | CAG | HAGA | 150.8° | 59.9° |
| HAFA | CAF | CAG | CAH | 150.8° | 60.0° |
| HAFA | CAF | CAG | HAG | 30.8° | 60.0° |
| HAFA | CAF | CAG | HAGA | 89.2° | 180.0° |
| CAH | CAG | HAG | HAGA | 116.3° | 119.9° |
| CAG | CAH | CAI | HAH | 120.0° | 120.0° |
| CAG | CAH | CAI | HAHA | 120.0° | 120.0° |
| CAG | CAH | HAH | HAHA | 118.6° | 120.0° |
| CAG | CAH | CAI | CAJ | 165.2° | 180.0° |
| CAG | CAH | CAI | HAI | 45.3° | 60.0° |
| CAG | CAH | CAI | HAIA | 74.8° | 60.0° |
| HAG | CAG | CAH | CAI | 62.7° | 59.9° |
| HAG | CAG | CAH | HAH | 177.3° | 180.0° |
| HAG | CAG | CAH | HAHA | 57.2° | 60.0° |
| HAGA | CAG | CAH | CAI | 57.3° | 60.0° |
| HAGA | CAG | CAH | HAH | 62.7° | 60.0° |
| HAGA | CAG | CAH | HAHA | 177.3° | 180.0° |
| CAI | CAH | HAH | HAHA | 118.6° | 120.0° |
| CAH | CAI | CAJ | HAI | 120.0° | 120.0° |
| CAH | CAI | CAJ | HAIA | 120.0° | 120.0° |
| CAH | CAI | HAI | HAIA | 118.3° | 120.0° |
| CAH | CAI | CAJ | CAK | 163.0° | 180.0° |
| CAH | CAI | CAJ | HAJ | 43.0° | 60.0° |
| CAH | CAI | CAJ | HAJA | 77.0° | 60.0° |
| HAH | CAH | CAI | CAJ | 74.8° | 60.0° |
| HAH | CAH | CAI | HAI | 165.2° | 180.0° |
| HAH | CAH | CAI | HAIA | 45.2° | 60.0° |
| HAHA | CAH | CAI | CAJ | 45.2° | 60.0° |
| HAHA | CAH | CAI | HAI | 74.7° | 60.0° |
| HAHA | CAH | CAI | HAIA | 165.2° | 180.0° |
| CAJ | CAI | HAI | HAIA | 118.3° | 120.0° |
| CAI | CAJ | CAK | HAJ | 120.0° | 120.0° |
| CAI | CAJ | CAK | HAJA | 120.0° | 120.0° |
| CAI | CAJ | HAJ | HAJA | 116.0° | 120.0° |
| HAI | CAI | CAJ | CAK | 77.0° | 60.0° |
| HAI | CAI | CAJ | HAJ | 163.0° | 180.0° |
| HAI | CAI | CAJ | HAJA | 43.0° | 60.0° |
| HAIA | CAI | CAJ | CAK | 43.0° | 60.0° |
| HAIA | CAI | CAJ | HAJ | 77.0° | 60.0° |
| HAIA | CAI | CAJ | HAJA | 163.0° | 180.0° |
| CAK | CAJ | HAJ | HAJA | 115.9° | 120.0° |
