3FX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| SAO | OAA | doub | 1.42Å | 1.50Å | |
| SAO | OAB | sing | 1.52Å | 1.50Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| CAM | OAC | sing | 1.43Å | 1.44Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| OAD | SAO | doub | 1.42Å | 1.50Å | |
| CAG | CAE | sing | 1.53Å | 1.54Å | |
| CAF | CAE | sing | 1.53Å | 1.54Å | |
| CAE | HAE | sing | 1.09Å | 1.10Å | |
| CAE | HAEA | sing | 1.09Å | 1.10Å | |
| CAH | CAF | sing | 1.53Å | 1.54Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| CAF | HAFA | sing | 1.09Å | 1.10Å | |
| CAG | CAI | sing | 1.53Å | 1.53Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAG | HAGA | sing | 1.09Å | 1.10Å | |
| CAN | CAH | sing | 1.53Å | 1.54Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| CAH | HAHA | sing | 1.09Å | 1.10Å | |
| CAN | CAI | sing | 1.53Å | 1.54Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAI | HAIA | sing | 1.09Å | 1.10Å | |
| CAM | CAJ | sing | 1.53Å | 1.54Å | |
| CAJ | NAL | sing | 1.47Å | 1.48Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å | |
| CAK | CAM | sing | 1.53Å | 1.54Å | |
| CAK | SAO | sing | 1.81Å | 1.84Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å | |
| CAN | NAL | sing | 1.47Å | 1.47Å | |
| NAL | HNAL | sing | 1.01Å | 1.00Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | SAO | OAB | 108.9° | 104.3° |
| OAA | SAO | OAD | 108.5° | 121.1° |
| OAA | SAO | CAK | 110.1° | 110.5° |
| SAO | OAB | HOAB | 109.5° | 114.0° |
| OAB | SAO | OAD | 109.5° | 104.3° |
| OAB | SAO | CAK | 110.5° | 104.4° |
| CAM | OAC | HOAC | 109.5° | 114.0° |
| OAC | CAM | CAJ | 111.1° | 109.4° |
| OAC | CAM | CAK | 110.8° | 109.5° |
| OAC | CAM | HAM | 107.8° | 109.5° |
| OAD | SAO | CAK | 109.3° | 110.5° |
| CAG | CAE | CAF | 112.1° | 109.5° |
| CAG | CAE | HAE | 108.6° | 109.4° |
| CAG | CAE | HAEA | 108.6° | 109.5° |
| CAE | CAG | CAI | 111.9° | 109.5° |
| CAE | CAG | HAG | 108.7° | 109.5° |
| CAE | CAG | HAGA | 108.7° | 109.5° |
| CAF | CAE | HAE | 108.6° | 109.5° |
| CAF | CAE | HAEA | 108.6° | 109.5° |
| CAE | CAF | CAH | 113.9° | 109.4° |
| CAE | CAF | HAF | 108.0° | 109.5° |
| CAE | CAF | HAFA | 108.0° | 109.5° |
| HAE | CAE | HAEA | 110.3° | 109.4° |
| CAH | CAF | HAF | 108.0° | 109.4° |
| CAH | CAF | HAFA | 108.0° | 109.5° |
| CAF | CAH | CAN | 113.1° | 109.5° |
| CAF | CAH | HAH | 108.3° | 109.4° |
| CAF | CAH | HAHA | 108.3° | 109.4° |
| HAF | CAF | HAFA | 110.9° | 109.5° |
| CAI | CAG | HAG | 108.7° | 109.5° |
| CAI | CAG | HAGA | 108.7° | 109.5° |
| CAG | CAI | CAN | 112.3° | 109.5° |
| CAG | CAI | HAI | 108.5° | 109.5° |
| CAG | CAI | HAIA | 108.5° | 109.5° |
| HAG | CAG | HAGA | 110.3° | 109.4° |
| CAN | CAH | HAH | 108.3° | 109.5° |
| CAN | CAH | HAHA | 108.3° | 109.5° |
| CAH | CAN | CAI | 110.2° | 109.4° |
| CAH | CAN | NAL | 108.4° | 109.5° |
| CAH | CAN | HAN | 109.6° | 109.4° |
| HAH | CAH | HAHA | 110.6° | 109.4° |
| CAN | CAI | HAI | 108.5° | 109.5° |
| CAN | CAI | HAIA | 108.5° | 109.5° |
| CAI | CAN | NAL | 109.1° | 109.5° |
| CAI | CAN | HAN | 108.9° | 109.5° |
| HAI | CAI | HAIA | 110.4° | 109.4° |
| CAM | CAJ | NAL | 110.1° | 109.5° |
| CAM | CAJ | HAJ | 109.3° | 109.5° |
| CAM | CAJ | HAJA | 109.3° | 109.4° |
| CAJ | CAM | CAK | 110.4° | 109.5° |
| CAJ | CAM | HAM | 108.2° | 109.4° |
| NAL | CAJ | HAJ | 109.3° | 109.5° |
| NAL | CAJ | HAJA | 109.3° | 109.5° |
| CAJ | NAL | CAN | 114.4° | 111.0° |
| CAJ | NAL | HNAL | 107.9° | 111.0° |
| HAJ | CAJ | HAJA | 109.7° | 109.4° |
| CAM | CAK | SAO | 117.1° | 109.5° |
| CAM | CAK | HAK | 107.0° | 109.5° |
| CAM | CAK | HAKA | 107.0° | 109.5° |
| CAK | CAM | HAM | 108.5° | 109.5° |
| SAO | CAK | HAK | 107.0° | 109.5° |
| SAO | CAK | HAKA | 107.0° | 109.5° |
| HAK | CAK | HAKA | 111.8° | 109.4° |
| CAN | NAL | HNAL | 107.9° | 111.0° |
| NAL | CAN | HAN | 110.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | SAO | OAB | OAD | 118.5° | 127.9° |
| OAA | SAO | OAB | CAK | 121.1° | 116.0° |
| OAA | SAO | OAB | HOAB | 0.0° | 64.0° |
| OAA | SAO | OAD | CAK | 120.1° | 131.5° |
| OAA | SAO | CAK | CAM | 105.1° | 68.4° |
| OAA | SAO | CAK | HAK | 134.9° | 171.6° |
| OAA | SAO | CAK | HAKA | 14.9° | 51.6° |
| OAB | SAO | OAD | CAK | 121.2° | 111.7° |
| OAB | SAO | CAK | CAM | 15.2° | 180.0° |
| OAB | SAO | CAK | HAK | 104.8° | 60.0° |
| OAB | SAO | CAK | HAKA | 135.2° | 60.0° |
| HOAB | OAB | SAO | OAD | 118.5° | 63.9° |
| HOAB | OAB | SAO | CAK | 121.0° | 180.0° |
| OAC | CAM | CAJ | CAK | 123.3° | 120.0° |
| OAC | CAM | CAJ | HAM | 118.1° | 119.9° |
| OAC | CAM | CAJ | NAL | 32.9° | 65.0° |
| OAC | CAM | CAJ | HAJ | 152.9° | 55.1° |
| OAC | CAM | CAJ | HAJA | 87.1° | 175.0° |
| OAC | CAM | CAK | HAM | 118.1° | 120.0° |
| OAC | CAM | CAK | SAO | 35.0° | 60.0° |
| OAC | CAM | CAK | HAK | 155.0° | 60.0° |
| OAC | CAM | CAK | HAKA | 85.0° | 180.0° |
| HOAC | OAC | CAM | CAJ | 180.0° | 60.0° |
| HOAC | OAC | CAM | CAK | 56.9° | 60.0° |
| HOAC | OAC | CAM | HAM | 61.6° | 179.9° |
| OAD | SAO | CAK | CAM | 135.7° | 68.4° |
| OAD | SAO | CAK | HAK | 15.8° | 51.6° |
| OAD | SAO | CAK | HAKA | 104.2° | 171.6° |
| CAG | CAE | CAF | HAE | 120.0° | 120.0° |
| CAG | CAE | CAF | HAEA | 120.0° | 120.0° |
| CAG | CAE | HAE | HAEA | 118.9° | 120.0° |
| CAG | CAE | CAF | CAH | 47.9° | 60.0° |
| CAG | CAE | CAF | HAF | 72.1° | 59.9° |
| CAG | CAE | CAF | HAFA | 167.9° | 180.0° |
| CAE | CAG | CAI | HAG | 120.0° | 120.0° |
| CAE | CAG | CAI | HAGA | 120.0° | 120.0° |
| CAE | CAG | HAG | HAGA | 119.0° | 120.0° |
| CAE | CAG | CAI | CAN | 56.5° | 60.0° |
| CAE | CAG | CAI | HAI | 63.5° | 60.0° |
| CAE | CAG | CAI | HAIA | 176.5° | 180.0° |
| CAF | CAE | HAE | HAEA | 119.0° | 120.0° |
| CAE | CAF | CAH | HAF | 120.0° | 120.0° |
| CAE | CAF | CAH | HAFA | 120.0° | 120.0° |
| CAE | CAF | HAF | HAFA | 118.2° | 120.1° |
| CAF | CAE | CAG | CAI | 51.1° | 60.0° |
| CAF | CAE | CAG | HAG | 171.1° | 180.0° |
| CAF | CAE | CAG | HAGA | 68.9° | 60.0° |
| CAE | CAF | CAH | CAN | 49.3° | 60.0° |
| CAE | CAF | CAH | HAH | 169.3° | 180.0° |
| CAE | CAF | CAH | HAHA | 70.7° | 60.1° |
| HAE | CAE | CAF | CAH | 167.9° | 60.0° |
| HAE | CAE | CAF | HAF | 47.9° | 179.9° |
| HAE | CAE | CAF | HAFA | 72.1° | 60.0° |
| HAE | CAE | CAG | CAI | 171.1° | 60.0° |
| HAE | CAE | CAG | HAG | 68.9° | 60.0° |
| HAE | CAE | CAG | HAGA | 51.1° | 180.0° |
| HAEA | CAE | CAF | CAH | 72.1° | 180.0° |
| HAEA | CAE | CAF | HAF | 167.9° | 60.1° |
| HAEA | CAE | CAF | HAFA | 47.9° | 60.0° |
| HAEA | CAE | CAG | CAI | 68.9° | 180.0° |
| HAEA | CAE | CAG | HAG | 51.1° | 60.0° |
| HAEA | CAE | CAG | HAGA | 171.1° | 60.0° |
| CAH | CAF | HAF | HAFA | 118.2° | 120.0° |
| CAF | CAH | CAN | HAH | 120.0° | 120.0° |
| CAF | CAH | CAN | HAHA | 120.0° | 120.0° |
| CAF | CAH | HAH | HAHA | 118.5° | 119.9° |
| CAF | CAH | CAN | CAI | 52.5° | 60.0° |
| CAF | CAH | CAN | NAL | 171.9° | 180.0° |
| CAF | CAH | CAN | HAN | 67.3° | 60.0° |
| HAF | CAF | CAH | CAN | 70.7° | 60.0° |
| HAF | CAF | CAH | HAH | 49.3° | 60.1° |
| HAF | CAF | CAH | HAHA | 169.3° | 180.0° |
| HAFA | CAF | CAH | CAN | 169.3° | 180.0° |
| HAFA | CAF | CAH | HAH | 70.7° | 59.9° |
| HAFA | CAF | CAH | HAHA | 49.3° | 60.0° |
| CAI | CAG | HAG | HAGA | 119.0° | 120.0° |
| CAG | CAI | CAN | CAH | 56.5° | 60.0° |
| CAG | CAI | CAN | HAI | 120.0° | 120.0° |
| CAG | CAI | CAN | HAIA | 120.0° | 120.0° |
| CAG | CAI | HAI | HAIA | 118.8° | 120.0° |
| CAG | CAI | CAN | NAL | 175.4° | 180.0° |
| CAG | CAI | CAN | HAN | 63.7° | 60.0° |
| HAG | CAG | CAI | CAN | 176.5° | 180.0° |
| HAG | CAG | CAI | HAI | 56.5° | 60.0° |
| HAG | CAG | CAI | HAIA | 63.5° | 60.0° |
| HAGA | CAG | CAI | CAN | 63.5° | 60.0° |
| HAGA | CAG | CAI | HAI | 176.5° | 179.9° |
| HAGA | CAG | CAI | HAIA | 56.5° | 60.0° |
| CAN | CAH | HAH | HAHA | 118.5° | 120.1° |
| CAH | CAN | CAI | NAL | 119.0° | 120.0° |
| CAH | CAN | CAI | HAN | 120.2° | 120.0° |
| CAH | CAN | CAI | HAI | 63.5° | 60.0° |
| CAH | CAN | CAI | HAIA | 176.5° | 180.0° |
| CAH | CAN | NAL | CAJ | 143.2° | 155.0° |
| CAH | CAN | NAL | HAN | 120.2° | 120.0° |
| CAH | CAN | NAL | HNAL | 96.8° | 81.0° |
| HAH | CAH | CAN | CAI | 172.5° | 180.0° |
| HAH | CAH | CAN | NAL | 68.1° | 60.0° |
| HAH | CAH | CAN | HAN | 52.7° | 60.0° |
| HAHA | CAH | CAN | CAI | 67.4° | 60.0° |
| HAHA | CAH | CAN | NAL | 51.9° | 60.0° |
| HAHA | CAH | CAN | HAN | 172.7° | 180.0° |
| CAN | CAI | HAI | HAIA | 118.8° | 120.0° |
| CAI | CAN | NAL | CAJ | 96.7° | 85.0° |
| CAI | CAN | NAL | HAN | 119.8° | 120.0° |
| CAI | CAN | NAL | HNAL | 23.3° | 39.0° |
| HAI | CAI | CAN | NAL | 55.4° | 60.0° |
| HAI | CAI | CAN | HAN | 176.3° | 180.0° |
| HAIA | CAI | CAN | NAL | 64.6° | 60.0° |
| HAIA | CAI | CAN | HAN | 56.3° | 60.0° |
| CAM | CAJ | NAL | HAJ | 120.0° | 120.0° |
| CAM | CAJ | NAL | HAJA | 120.0° | 120.0° |
| CAM | CAJ | HAJ | HAJA | 119.7° | 119.9° |
| CAJ | CAM | CAK | HAM | 118.5° | 120.0° |
| CAJ | CAM | CAK | SAO | 88.4° | 180.0° |
| CAJ | CAM | CAK | HAK | 31.6° | 60.0° |
| CAJ | CAM | CAK | HAKA | 151.5° | 60.0° |
| CAM | CAJ | NAL | CAN | 137.2° | 180.0° |
| CAM | CAJ | NAL | HNAL | 102.7° | 56.0° |
| NAL | CAJ | HAJ | HAJA | 119.8° | 120.0° |
| NAL | CAJ | CAM | CAK | 156.2° | 175.0° |
| CAJ | NAL | CAN | HNAL | 120.0° | 124.0° |
| NAL | CAJ | CAM | HAM | 85.2° | 55.0° |
| CAJ | NAL | CAN | HAN | 23.1° | 35.0° |
| HAJ | CAJ | CAM | CAK | 83.8° | 64.9° |
| HAJ | CAJ | NAL | CAN | 17.2° | 60.0° |
| HAJ | CAJ | NAL | HNAL | 137.3° | 64.0° |
| HAJ | CAJ | CAM | HAM | 34.8° | 175.0° |
| HAJA | CAJ | CAM | CAK | 36.1° | 55.0° |
| HAJA | CAJ | NAL | CAN | 102.8° | 60.0° |
| HAJA | CAJ | NAL | HNAL | 17.3° | 176.0° |
| HAJA | CAJ | CAM | HAM | 154.8° | 65.0° |
| CAM | CAK | SAO | HAK | 120.0° | 120.0° |
| CAM | CAK | SAO | HAKA | 120.0° | 120.0° |
| CAM | CAK | HAK | HAKA | 116.9° | 120.0° |
| SAO | CAK | HAK | HAKA | 116.8° | 120.0° |
| SAO | CAK | CAM | HAM | 153.1° | 60.0° |
| HAK | CAK | CAM | HAM | 86.9° | 180.0° |
| HAKA | CAK | CAM | HAM | 33.1° | 60.0° |
| HNAL | NAL | CAN | HAN | 143.1° | 159.0° |
