A1X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAE | CAD | doub | 1.21Å | 1.22Å | |
| CAD | OAC | sing | 1.34Å | 1.45Å | |
| CAD | CAF | sing | 1.51Å | 1.50Å | |
| OAC | CAB | sing | 1.45Å | 1.46Å | |
| CAB | CAA | sing | 1.53Å | 1.54Å | |
| CAF | OAJ | sing | 1.43Å | 1.43Å | |
| CAF | CAG | sing | 1.53Å | 1.53Å | |
| CAG | CAH | sing | 1.51Å | 1.51Å | |
| CAH | OAI | doub | 1.21Å | 1.22Å | |
| CAH | NAK | sing | 1.35Å | 1.34Å | |
| NAK | NAL | sing | 1.37Å | 1.32Å | |
| NAK | CAN | sing | 1.47Å | 1.47Å | |
| CAN | CAO | sing | 1.53Å | 1.53Å | |
| CAO | CAP | sing | 1.53Å | 1.53Å | |
| CAO | CAM | sing | 1.53Å | 1.52Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| OAJ | HOAJ | sing | 0.97Å | 0.95Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAG | HAGA | sing | 1.09Å | 1.10Å | |
| NAL | HNAL | sing | 1.01Å | 1.00Å | |
| NAL | HNAA | sing | 1.01Å | 1.00Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| CAP | HAPA | sing | 1.09Å | 1.10Å | |
| CAP | HAPB | sing | 1.09Å | 1.10Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAMA | sing | 1.09Å | 1.10Å | |
| CAM | HAMB | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAE | CAD | OAC | 118.1° | 120.0° |
| OAE | CAD | CAF | 121.6° | 120.0° |
| OAC | CAD | CAF | 120.2° | 120.0° |
| CAD | OAC | CAB | 121.1° | 117.0° |
| CAD | CAF | OAJ | 109.6° | 109.4° |
| CAD | CAF | CAG | 111.3° | 109.4° |
| CAD | CAF | HAF | 108.3° | 109.5° |
| OAC | CAB | CAA | 104.3° | 109.5° |
| OAC | CAB | HAB | 111.2° | 109.4° |
| OAC | CAB | HABA | 112.3° | 109.5° |
| CAA | CAB | HAB | 111.3° | 109.5° |
| CAA | CAB | HABA | 112.4° | 109.5° |
| CAB | CAA | HAA | 109.5° | 109.4° |
| CAB | CAA | HAAA | 109.4° | 109.5° |
| CAB | CAA | HAAB | 109.5° | 109.5° |
| OAJ | CAF | CAG | 109.8° | 109.5° |
| OAJ | CAF | HAF | 109.8° | 109.5° |
| CAF | OAJ | HOAJ | 109.5° | 114.0° |
| CAF | CAG | CAH | 107.1° | 109.4° |
| CAG | CAF | HAF | 108.0° | 109.5° |
| CAF | CAG | HAG | 110.3° | 109.5° |
| CAF | CAG | HAGA | 110.8° | 109.4° |
| CAG | CAH | OAI | 119.2° | 120.0° |
| CAG | CAH | NAK | 118.0° | 120.0° |
| CAH | CAG | HAG | 110.3° | 109.5° |
| CAH | CAG | HAGA | 110.8° | 109.4° |
| OAI | CAH | NAK | 122.8° | 120.0° |
| CAH | NAK | NAL | 117.5° | 120.0° |
| CAH | NAK | CAN | 122.1° | 120.0° |
| NAL | NAK | CAN | 120.4° | 120.0° |
| NAK | NAL | HNAL | 109.5° | 111.0° |
| NAK | NAL | HNAA | 109.5° | 111.0° |
| NAK | CAN | CAO | 112.7° | 109.5° |
| NAK | CAN | HAN | 108.4° | 109.5° |
| NAK | CAN | HANA | 107.7° | 109.5° |
| CAN | CAO | CAP | 112.4° | 109.5° |
| CAN | CAO | CAM | 110.2° | 109.5° |
| CAO | CAN | HAN | 108.4° | 109.4° |
| CAO | CAN | HANA | 107.7° | 109.5° |
| CAN | CAO | HAO | 106.6° | 109.5° |
| CAP | CAO | CAM | 108.4° | 109.5° |
| CAP | CAO | HAO | 108.5° | 109.5° |
| CAO | CAP | HAP | 109.5° | 109.5° |
| CAO | CAP | HAPA | 109.5° | 109.5° |
| CAO | CAP | HAPB | 109.5° | 109.5° |
| CAM | CAO | HAO | 110.8° | 109.4° |
| CAO | CAM | HAM | 109.5° | 109.5° |
| CAO | CAM | HAMA | 109.5° | 109.5° |
| CAO | CAM | HAMB | 109.4° | 109.4° |
| HAB | CAB | HABA | 105.5° | 109.4° |
| HAA | CAA | HAAA | 109.4° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| HAG | CAG | HAGA | 107.7° | 109.5° |
| HNAL | NAL | HNAA | 109.5° | 111.0° |
| HAN | CAN | HANA | 112.1° | 109.5° |
| HAP | CAP | HAPA | 109.5° | 109.5° |
| HAP | CAP | HAPB | 109.4° | 109.4° |
| HAPA | CAP | HAPB | 109.5° | 109.5° |
| HAM | CAM | HAMA | 109.5° | 109.4° |
| HAM | CAM | HAMB | 109.5° | 109.5° |
| HAMA | CAM | HAMB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAE | CAD | OAC | CAF | 177.9° | 179.7° |
| OAE | CAD | OAC | CAB | 79.9° | 0.0° |
| OAE | CAD | CAF | OAJ | 176.0° | 5.0° |
| OAE | CAD | CAF | CAG | 54.4° | 115.0° |
| OAE | CAD | CAF | HAF | 64.2° | 125.0° |
| CAD | OAC | CAB | CAA | 161.9° | 180.0° |
| OAC | CAD | CAF | OAJ | 6.2° | 174.7° |
| OAC | CAD | CAF | CAG | 127.8° | 65.3° |
| CAD | OAC | CAB | HAB | 41.9° | 60.0° |
| CAD | OAC | CAB | HABA | 76.1° | 59.9° |
| OAC | CAD | CAF | HAF | 113.6° | 54.7° |
| CAF | CAD | OAC | CAB | 102.2° | 179.7° |
| CAD | CAF | OAJ | CAG | 122.5° | 119.9° |
| CAD | CAF | OAJ | HAF | 118.8° | 120.0° |
| CAD | CAF | CAG | HAF | 118.7° | 120.0° |
| CAD | CAF | CAG | CAH | 155.1° | 175.0° |
| CAD | CAF | OAJ | HOAJ | 16.1° | 60.0° |
| CAD | CAF | CAG | HAG | 84.9° | 64.9° |
| CAD | CAF | CAG | HAGA | 34.1° | 55.1° |
| OAC | CAB | CAA | HAB | 120.0° | 120.0° |
| OAC | CAB | CAA | HABA | 121.9° | 120.0° |
| OAC | CAB | HAB | HABA | 122.1° | 119.9° |
| OAC | CAB | CAA | HAA | 88.4° | 60.0° |
| OAC | CAB | CAA | HAAA | 151.6° | 180.0° |
| OAC | CAB | CAA | HAAB | 31.6° | 60.0° |
| CAA | CAB | HAB | HABA | 122.1° | 120.0° |
| CAB | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAB | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAB | CAA | HAAA | HAAB | 120.0° | 120.0° |
| OAJ | CAF | CAG | HAF | 119.8° | 120.0° |
| OAJ | CAF | CAG | CAH | 83.5° | 65.0° |
| OAJ | CAF | CAG | HAG | 36.5° | 55.0° |
| OAJ | CAF | CAG | HAGA | 155.6° | 175.0° |
| CAF | CAG | CAH | HAG | 120.0° | 120.0° |
| CAF | CAG | CAH | HAGA | 120.9° | 119.9° |
| CAF | CAG | CAH | OAI | 56.8° | 0.0° |
| CAF | CAG | CAH | NAK | 122.7° | 180.0° |
| CAG | CAF | OAJ | HOAJ | 138.6° | 59.9° |
| CAF | CAG | HAG | HAGA | 121.0° | 120.0° |
| CAG | CAH | OAI | NAK | 179.4° | 180.0° |
| CAG | CAH | NAK | NAL | 0.1° | 0.0° |
| CAG | CAH | NAK | CAN | 178.2° | 180.0° |
| CAH | CAG | CAF | HAF | 36.3° | 55.0° |
| CAH | CAG | HAG | HAGA | 121.0° | 120.0° |
| OAI | CAH | NAK | NAL | 179.5° | 180.0° |
| OAI | CAH | NAK | CAN | 1.2° | 0.0° |
| OAI | CAH | CAG | HAG | 176.8° | 120.0° |
| OAI | CAH | CAG | HAGA | 64.1° | 119.9° |
| CAH | NAK | NAL | CAN | 178.3° | 180.0° |
| CAH | NAK | CAN | CAO | 142.3° | 90.0° |
| NAK | CAH | CAG | HAG | 2.7° | 60.0° |
| NAK | CAH | CAG | HAGA | 116.4° | 60.1° |
| CAH | NAK | NAL | HNAL | 52.4° | 179.9° |
| CAH | NAK | NAL | HNAA | 67.6° | 56.1° |
| CAH | NAK | CAN | HAN | 22.3° | 150.0° |
| CAH | NAK | CAN | HANA | 99.1° | 30.0° |
| NAL | NAK | CAN | CAO | 39.5° | 90.0° |
| NAK | NAL | HNAL | HNAA | 120.0° | 123.9° |
| NAL | NAK | CAN | HAN | 159.5° | 30.0° |
| NAL | NAK | CAN | HANA | 79.1° | 150.0° |
| NAK | CAN | CAO | HAN | 120.0° | 120.0° |
| NAK | CAN | CAO | HANA | 118.6° | 120.0° |
| NAK | CAN | CAO | CAP | 74.4° | 64.9° |
| NAK | CAN | CAO | CAM | 164.6° | 175.0° |
| CAN | NAK | NAL | HNAL | 125.9° | 0.1° |
| CAN | NAK | NAL | HNAA | 114.1° | 123.9° |
| NAK | CAN | HAN | HANA | 118.6° | 120.0° |
| NAK | CAN | CAO | HAO | 44.3° | 55.0° |
| CAN | CAO | CAP | CAM | 122.0° | 120.1° |
| CAN | CAO | CAP | HAO | 117.6° | 120.0° |
| CAN | CAO | CAM | HAO | 117.7° | 120.0° |
| CAO | CAN | HAN | HANA | 118.7° | 120.0° |
| CAN | CAO | CAP | HAP | 143.7° | 60.0° |
| CAN | CAO | CAP | HAPA | 96.3° | 179.9° |
| CAN | CAO | CAP | HAPB | 23.8° | 59.9° |
| CAN | CAO | CAM | HAM | 64.7° | 60.0° |
| CAN | CAO | CAM | HAMA | 175.3° | 180.0° |
| CAN | CAO | CAM | HAMB | 55.3° | 60.0° |
| CAP | CAO | CAM | HAO | 118.9° | 120.0° |
| CAP | CAO | CAN | HAN | 45.6° | 55.0° |
| CAP | CAO | CAN | HANA | 167.0° | 175.0° |
| CAO | CAP | HAP | HAPA | 120.0° | 120.0° |
| CAO | CAP | HAP | HAPB | 120.0° | 120.0° |
| CAO | CAP | HAPA | HAPB | 120.0° | 120.0° |
| CAP | CAO | CAM | HAM | 171.9° | 180.0° |
| CAP | CAO | CAM | HAMA | 51.9° | 60.0° |
| CAP | CAO | CAM | HAMB | 68.1° | 60.0° |
| CAM | CAO | CAN | HAN | 75.4° | 65.0° |
| CAM | CAO | CAN | HANA | 46.0° | 55.0° |
| CAM | CAO | CAP | HAP | 21.7° | 60.0° |
| CAM | CAO | CAP | HAPA | 141.7° | 60.0° |
| CAM | CAO | CAP | HAPB | 98.3° | 180.0° |
| CAO | CAM | HAM | HAMA | 120.0° | 120.0° |
| CAO | CAM | HAM | HAMB | 120.0° | 120.0° |
| CAO | CAM | HAMA | HAMB | 120.0° | 120.0° |
| HAB | CAB | CAA | HAA | 31.6° | 60.0° |
| HAB | CAB | CAA | HAAA | 88.4° | 60.0° |
| HAB | CAB | CAA | HAAB | 151.6° | 179.9° |
| HABA | CAB | CAA | HAA | 149.7° | 180.0° |
| HABA | CAB | CAA | HAAA | 29.7° | 60.0° |
| HABA | CAB | CAA | HAAB | 90.3° | 60.1° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAF | CAF | OAJ | HOAJ | 102.7° | 179.9° |
| HAF | CAF | CAG | HAG | 156.3° | 175.0° |
| HAF | CAF | CAG | HAGA | 84.6° | 64.9° |
| HAN | CAN | CAO | HAO | 164.3° | 175.0° |
| HANA | CAN | CAO | HAO | 74.3° | 65.0° |
| HAO | CAO | CAP | HAP | 98.7° | 180.0° |
| HAO | CAO | CAP | HAPA | 21.3° | 60.0° |
| HAO | CAO | CAP | HAPB | 141.4° | 60.0° |
| HAO | CAO | CAM | HAM | 53.0° | 60.0° |
| HAO | CAO | CAM | HAMA | 67.0° | 60.0° |
| HAO | CAO | CAM | HAMB | 173.0° | 180.0° |
| HAP | CAP | HAPA | HAPB | 120.0° | 120.0° |
| HAM | CAM | HAMA | HAMB | 120.0° | 120.0° |






