243
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | OAS | sing | 1.34Å | 1.27Å | |
| OAS | HOAS | sing | 0.97Å | 0.95Å | |
| CAB | CAA | sing | 1.51Å | 1.52Å | |
| CAA | OAT | doub | 1.21Å | 1.26Å | |
| CAB | CAC | sing | 1.53Å | 1.54Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAC | CAD | sing | 1.53Å | 1.53Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAC | HACA | sing | 1.09Å | 1.10Å | |
| CAE | CAD | sing | 1.53Å | 1.53Å | |
| CAD | HAD | sing | 1.09Å | 1.10Å | |
| CAD | HADA | sing | 1.09Å | 1.10Å | |
| CAE | CAF | sing | 1.53Å | 1.52Å | |
| CAE | HAE | sing | 1.09Å | 1.10Å | |
| CAE | HAEA | sing | 1.09Å | 1.10Å | |
| CAG | CAF | sing | 1.53Å | 1.53Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| CAF | HAFA | sing | 1.09Å | 1.10Å | |
| CAG | CAH | sing | 1.53Å | 1.51Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAG | HAGA | sing | 1.09Å | 1.10Å | |
| CAH | CAI | sing | 1.51Å | 1.53Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| CAH | HAHA | sing | 1.09Å | 1.10Å | |
| CAI | CAJ | doub | 1.33Å | 1.35Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CAK | sing | 1.47Å | 1.34Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | CAL | doub | 1.33Å | 1.34Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | CAM | sing | 1.51Å | 1.52Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAN | CAM | sing | 1.53Å | 1.52Å | |
| CAM | OAU | sing | 1.43Å | 1.45Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| OAU | HOAU | sing | 0.97Å | 0.95Å | |
| CAO | CAN | sing | 1.53Å | 1.52Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| CAP | CAO | sing | 1.53Å | 1.52Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAO | HAOA | sing | 1.09Å | 1.10Å | |
| CAQ | CAP | sing | 1.53Å | 1.51Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| CAP | HAPA | sing | 1.09Å | 1.10Å | |
| CAR | CAQ | sing | 1.53Å | 1.52Å | |
| CAQ | HAQ | sing | 1.09Å | 1.10Å | |
| CAQ | HAQA | sing | 1.09Å | 1.10Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| CAR | HARA | sing | 1.09Å | 1.10Å | |
| CAR | HARB | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | OAS | HOAS | 109.5° | 116.9° |
| OAS | CAA | CAB | 120.0° | 120.0° |
| OAS | CAA | OAT | 123.6° | 120.0° |
| CAB | CAA | OAT | 116.4° | 120.0° |
| CAA | CAB | CAC | 113.9° | 109.5° |
| CAA | CAB | HAB | 108.0° | 109.5° |
| CAA | CAB | HABA | 107.0° | 109.5° |
| CAC | CAB | HAB | 108.1° | 109.5° |
| CAC | CAB | HABA | 107.0° | 109.5° |
| CAB | CAC | CAD | 113.6° | 109.5° |
| CAB | CAC | HAC | 108.1° | 109.5° |
| CAB | CAC | HACA | 107.2° | 109.5° |
| HAB | CAB | HABA | 113.0° | 109.4° |
| CAD | CAC | HAC | 108.1° | 109.5° |
| CAD | CAC | HACA | 107.2° | 109.5° |
| CAC | CAD | CAE | 110.7° | 109.5° |
| CAC | CAD | HAD | 109.1° | 109.5° |
| CAC | CAD | HADA | 108.8° | 109.5° |
| HAC | CAC | HACA | 112.8° | 109.4° |
| CAE | CAD | HAD | 109.1° | 109.4° |
| CAE | CAD | HADA | 108.8° | 109.4° |
| CAD | CAE | CAF | 110.7° | 109.5° |
| CAD | CAE | HAE | 109.1° | 109.4° |
| CAD | CAE | HAEA | 108.8° | 109.5° |
| HAD | CAD | HADA | 110.4° | 109.4° |
| CAF | CAE | HAE | 109.1° | 109.5° |
| CAF | CAE | HAEA | 108.8° | 109.5° |
| CAE | CAF | CAG | 111.0° | 109.5° |
| CAE | CAF | HAF | 109.0° | 109.5° |
| CAE | CAF | HAFA | 108.6° | 109.5° |
| HAE | CAE | HAEA | 110.4° | 109.4° |
| CAG | CAF | HAF | 109.0° | 109.4° |
| CAG | CAF | HAFA | 108.6° | 109.4° |
| CAF | CAG | CAH | 109.0° | 109.4° |
| CAF | CAG | HAG | 109.6° | 109.5° |
| CAF | CAG | HAGA | 109.7° | 109.4° |
| HAF | CAF | HAFA | 110.6° | 109.5° |
| CAH | CAG | HAG | 109.6° | 109.5° |
| CAH | CAG | HAGA | 109.7° | 109.5° |
| CAG | CAH | CAI | 113.0° | 109.5° |
| CAG | CAH | HAH | 108.3° | 109.5° |
| CAG | CAH | HAHA | 107.5° | 109.5° |
| HAG | CAG | HAGA | 109.1° | 109.5° |
| CAI | CAH | HAH | 108.3° | 109.5° |
| CAI | CAH | HAHA | 107.5° | 109.4° |
| CAH | CAI | CAJ | 124.6° | 120.0° |
| CAH | CAI | HAI | 117.7° | 120.1° |
| HAH | CAH | HAHA | 112.3° | 109.5° |
| CAJ | CAI | HAI | 117.7° | 120.0° |
| CAI | CAJ | CAK | 127.2° | 120.0° |
| CAI | CAJ | HAJ | 116.4° | 120.0° |
| CAK | CAJ | HAJ | 116.4° | 120.0° |
| CAJ | CAK | CAL | 119.1° | 120.0° |
| CAJ | CAK | HAK | 120.5° | 120.0° |
| CAL | CAK | HAK | 120.5° | 120.0° |
| CAK | CAL | CAM | 126.6° | 120.0° |
| CAK | CAL | HAL | 116.7° | 120.1° |
| CAM | CAL | HAL | 116.7° | 120.0° |
| CAL | CAM | CAN | 114.1° | 109.5° |
| CAL | CAM | OAU | 108.4° | 109.5° |
| CAL | CAM | HAM | 106.9° | 109.5° |
| CAN | CAM | OAU | 108.6° | 109.5° |
| CAN | CAM | HAM | 106.5° | 109.5° |
| CAM | CAN | CAO | 111.2° | 109.5° |
| CAM | CAN | HAN | 108.9° | 109.4° |
| CAM | CAN | HANA | 108.5° | 109.5° |
| OAU | CAM | HAM | 112.5° | 109.4° |
| CAM | OAU | HOAU | 109.5° | 114.0° |
| CAO | CAN | HAN | 108.9° | 109.4° |
| CAO | CAN | HANA | 108.5° | 109.5° |
| CAN | CAO | CAP | 110.8° | 109.5° |
| CAN | CAO | HAO | 109.0° | 109.4° |
| CAN | CAO | HAOA | 108.7° | 109.5° |
| HAN | CAN | HANA | 110.8° | 109.5° |
| CAP | CAO | HAO | 109.0° | 109.4° |
| CAP | CAO | HAOA | 108.8° | 109.5° |
| CAO | CAP | CAQ | 114.2° | 109.5° |
| CAO | CAP | HAP | 107.9° | 109.4° |
| CAO | CAP | HAPA | 106.9° | 109.5° |
| HAO | CAO | HAOA | 110.5° | 109.5° |
| CAQ | CAP | HAP | 107.9° | 109.5° |
| CAQ | CAP | HAPA | 106.9° | 109.5° |
| CAP | CAQ | CAR | 107.2° | 109.4° |
| CAP | CAQ | HAQ | 110.2° | 109.5° |
| CAP | CAQ | HAQA | 110.7° | 109.5° |
| HAP | CAP | HAPA | 113.2° | 109.4° |
| CAR | CAQ | HAQ | 110.3° | 109.5° |
| CAR | CAQ | HAQA | 110.7° | 109.5° |
| CAQ | CAR | HAR | 109.5° | 109.4° |
| CAQ | CAR | HARA | 109.5° | 109.5° |
| CAQ | CAR | HARB | 109.5° | 109.5° |
| HAQ | CAQ | HAQA | 107.7° | 109.5° |
| HAR | CAR | HARA | 109.5° | 109.5° |
| HAR | CAR | HARB | 109.5° | 109.5° |
| HARA | CAR | HARB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAS | CAA | CAB | OAT | 178.7° | 179.9° |
| OAS | CAA | CAB | CAC | 44.6° | 180.0° |
| OAS | CAA | CAB | HAB | 164.6° | 60.0° |
| OAS | CAA | CAB | HABA | 73.5° | 60.0° |
| HOAS | OAS | CAA | CAB | 178.6° | 180.0° |
| HOAS | OAS | CAA | OAT | 0.0° | 0.0° |
| CAA | CAB | CAC | HAB | 120.0° | 120.0° |
| CAA | CAB | CAC | HABA | 118.1° | 120.0° |
| CAA | CAB | HAB | HABA | 118.2° | 120.0° |
| CAA | CAB | CAC | CAD | 56.1° | 180.0° |
| CAA | CAB | CAC | HAC | 176.1° | 60.0° |
| CAA | CAB | CAC | HACA | 62.1° | 60.0° |
| OAT | CAA | CAB | CAC | 134.1° | 0.0° |
| OAT | CAA | CAB | HAB | 14.1° | 120.0° |
| OAT | CAA | CAB | HABA | 107.9° | 120.1° |
| CAC | CAB | HAB | HABA | 118.2° | 120.0° |
| CAB | CAC | CAD | HAC | 120.0° | 120.0° |
| CAB | CAC | CAD | HACA | 118.2° | 120.0° |
| CAB | CAC | HAC | HACA | 118.3° | 120.0° |
| CAB | CAC | CAD | CAE | 56.7° | 180.0° |
| CAB | CAC | CAD | HAD | 176.7° | 60.0° |
| CAB | CAC | CAD | HADA | 62.8° | 60.0° |
| HAB | CAB | CAC | CAD | 63.9° | 60.0° |
| HAB | CAB | CAC | HAC | 56.1° | 180.0° |
| HAB | CAB | CAC | HACA | 177.9° | 60.0° |
| HABA | CAB | CAC | CAD | 174.2° | 60.0° |
| HABA | CAB | CAC | HAC | 65.8° | 60.0° |
| HABA | CAB | CAC | HACA | 56.0° | 180.0° |
| CAD | CAC | HAC | HACA | 118.3° | 120.0° |
| CAC | CAD | CAE | HAD | 120.0° | 120.0° |
| CAC | CAD | CAE | HADA | 119.5° | 120.1° |
| CAC | CAD | HAD | HADA | 119.5° | 120.1° |
| CAC | CAD | CAE | CAF | 174.0° | 180.0° |
| CAC | CAD | CAE | HAE | 66.0° | 60.0° |
| CAC | CAD | CAE | HAEA | 54.5° | 59.9° |
| HAC | CAC | CAD | CAE | 63.3° | 60.0° |
| HAC | CAC | CAD | HAD | 56.7° | NaN° |
| HAC | CAC | CAD | HADA | 177.2° | 60.0° |
| HACA | CAC | CAD | CAE | 174.9° | 59.9° |
| HACA | CAC | CAD | HAD | 65.1° | 60.0° |
| HACA | CAC | CAD | HADA | 55.4° | 179.9° |
| CAE | CAD | HAD | HADA | 119.5° | 119.9° |
| CAD | CAE | CAF | HAE | 120.0° | 120.0° |
| CAD | CAE | CAF | HAEA | 119.5° | 120.1° |
| CAD | CAE | HAE | HAEA | 119.5° | 120.0° |
| CAD | CAE | CAF | CAG | 166.5° | 180.0° |
| CAD | CAE | CAF | HAF | 73.4° | 60.1° |
| CAD | CAE | CAF | HAFA | 47.2° | 60.0° |
| HAD | CAD | CAE | CAF | 54.0° | 60.0° |
| HAD | CAD | CAE | HAE | 174.0° | 180.0° |
| HAD | CAD | CAE | HAEA | 65.5° | 60.1° |
| HADA | CAD | CAE | CAF | 66.5° | 59.9° |
| HADA | CAD | CAE | HAE | 53.5° | 60.1° |
| HADA | CAD | CAE | HAEA | 174.0° | 180.0° |
| CAF | CAE | HAE | HAEA | 119.5° | 120.0° |
| CAE | CAF | CAG | HAF | 120.0° | 120.0° |
| CAE | CAF | CAG | HAFA | 119.4° | 120.0° |
| CAE | CAF | HAF | HAFA | 119.4° | 120.1° |
| CAE | CAF | CAG | CAH | 177.0° | 179.9° |
| CAE | CAF | CAG | HAG | 57.0° | 60.0° |
| CAE | CAF | CAG | HAGA | 62.8° | 60.0° |
| HAE | CAE | CAF | CAG | 46.5° | 60.0° |
| HAE | CAE | CAF | HAF | 166.5° | 179.9° |
| HAE | CAE | CAF | HAFA | 72.9° | 60.0° |
| HAEA | CAE | CAF | CAG | 74.0° | 60.0° |
| HAEA | CAE | CAF | HAF | 46.1° | 60.0° |
| HAEA | CAE | CAF | HAFA | 166.7° | 179.9° |
| CAG | CAF | HAF | HAFA | 119.4° | 120.0° |
| CAF | CAG | CAH | HAG | 120.0° | 120.0° |
| CAF | CAG | CAH | HAGA | 120.2° | 119.9° |
| CAF | CAG | HAG | HAGA | 120.2° | 120.0° |
| CAF | CAG | CAH | CAI | 79.1° | 180.0° |
| CAF | CAG | CAH | HAH | 160.9° | 60.0° |
| CAF | CAG | CAH | HAHA | 39.4° | 60.1° |
| HAF | CAF | CAG | CAH | 63.0° | 60.0° |
| HAF | CAF | CAG | HAG | 177.1° | 180.0° |
| HAF | CAF | CAG | HAGA | 57.3° | 60.0° |
| HAFA | CAF | CAG | CAH | 57.7° | 60.1° |
| HAFA | CAF | CAG | HAG | 62.3° | 60.0° |
| HAFA | CAF | CAG | HAGA | 177.9° | 180.0° |
| CAH | CAG | HAG | HAGA | 120.2° | 120.0° |
| CAG | CAH | CAI | HAH | 120.0° | 120.1° |
| CAG | CAH | CAI | HAHA | 118.4° | 119.9° |
| CAG | CAH | HAH | HAHA | 118.5° | 120.0° |
| CAG | CAH | CAI | CAJ | 114.6° | 126.2° |
| CAG | CAH | CAI | HAI | 65.4° | 53.8° |
| HAG | CAG | CAH | CAI | 40.9° | 60.0° |
| HAG | CAG | CAH | HAH | 79.1° | 180.0° |
| HAG | CAG | CAH | HAHA | 159.4° | 60.0° |
| HAGA | CAG | CAH | CAI | 160.7° | 60.1° |
| HAGA | CAG | CAH | HAH | 40.7° | 60.0° |
| HAGA | CAG | CAH | HAHA | 80.8° | 180.0° |
| CAI | CAH | HAH | HAHA | 118.6° | 119.9° |
| CAH | CAI | CAJ | HAI | 180.0° | 180.0° |
| CAH | CAI | CAJ | CAK | 6.0° | 6.2° |
| CAH | CAI | CAJ | HAJ | 174.0° | 173.7° |
| HAH | CAH | CAI | CAJ | 125.4° | 6.1° |
| HAH | CAH | CAI | HAI | 54.6° | 173.9° |
| HAHA | CAH | CAI | CAJ | 3.9° | 113.9° |
| HAHA | CAH | CAI | HAI | 176.2° | 66.1° |
| CAI | CAJ | CAK | HAJ | 180.0° | 180.0° |
| CAI | CAJ | CAK | CAL | 176.3° | 174.7° |
| CAI | CAJ | CAK | HAK | 3.7° | 5.4° |
| HAI | CAI | CAJ | CAK | 174.0° | 173.8° |
| HAI | CAI | CAJ | HAJ | 6.0° | 6.2° |
| CAJ | CAK | CAL | HAK | 180.0° | 179.9° |
| CAJ | CAK | CAL | CAM | 167.3° | 180.0° |
| CAJ | CAK | CAL | HAL | 12.7° | 0.0° |
| HAJ | CAJ | CAK | CAL | 3.7° | 5.3° |
| HAJ | CAJ | CAK | HAK | 176.3° | 174.6° |
| CAK | CAL | CAM | HAL | 180.0° | 180.0° |
| CAK | CAL | CAM | CAN | 6.7° | 125.0° |
| CAK | CAL | CAM | OAU | 127.8° | 5.0° |
| CAK | CAL | CAM | HAM | 110.8° | 115.0° |
| HAK | CAK | CAL | CAM | 12.6° | 0.0° |
| HAK | CAK | CAL | HAL | 167.3° | 179.9° |
| CAL | CAM | CAN | OAU | 121.0° | 120.1° |
| CAL | CAM | CAN | HAM | 117.6° | 120.0° |
| CAL | CAM | OAU | HAM | 117.9° | 120.0° |
| CAL | CAM | OAU | HOAU | 77.2° | 60.0° |
| CAL | CAM | CAN | CAO | 80.2° | 175.0° |
| CAL | CAM | CAN | HAN | 159.8° | 65.0° |
| CAL | CAM | CAN | HANA | 39.1° | 54.9° |
| HAL | CAL | CAM | CAN | 173.3° | 54.9° |
| HAL | CAL | CAM | OAU | 52.1° | 175.0° |
| HAL | CAL | CAM | HAM | 69.3° | 65.1° |
| CAN | CAM | OAU | HAM | 117.7° | 120.0° |
| CAN | CAM | OAU | HOAU | 47.3° | 60.0° |
| CAM | CAN | CAO | HAN | 120.0° | 119.9° |
| CAM | CAN | CAO | HANA | 119.3° | 120.0° |
| CAM | CAN | HAN | HANA | 119.3° | 120.0° |
| CAM | CAN | CAO | CAP | 170.9° | 180.0° |
| CAM | CAN | CAO | HAO | 69.1° | 60.1° |
| CAM | CAN | CAO | HAOA | 51.5° | 60.0° |
| OAU | CAM | CAN | CAO | 158.8° | 64.9° |
| OAU | CAM | CAN | HAN | 38.8° | 55.0° |
| OAU | CAM | CAN | HANA | 81.9° | 175.0° |
| HAM | CAM | OAU | HOAU | 165.0° | 180.0° |
| HAM | CAM | CAN | CAO | 37.4° | 55.0° |
| HAM | CAM | CAN | HAN | 82.6° | 175.0° |
| HAM | CAM | CAN | HANA | 156.7° | 65.1° |
| CAO | CAN | HAN | HANA | 119.3° | 120.1° |
| CAN | CAO | CAP | HAO | 120.0° | 119.9° |
| CAN | CAO | CAP | HAOA | 119.5° | 120.0° |
| CAN | CAO | HAO | HAOA | 119.5° | 120.1° |
| CAN | CAO | CAP | CAQ | 78.4° | 180.0° |
| CAN | CAO | CAP | HAP | 161.6° | 60.0° |
| CAN | CAO | CAP | HAPA | 39.6° | 59.9° |
| HAN | CAN | CAO | CAP | 50.9° | 60.1° |
| HAN | CAN | CAO | HAO | 170.9° | 180.0° |
| HAN | CAN | CAO | HAOA | 68.6° | 59.9° |
| HANA | CAN | CAO | CAP | 69.8° | 60.0° |
| HANA | CAN | CAO | HAO | 50.2° | 60.0° |
| HANA | CAN | CAO | HAOA | 170.7° | 180.0° |
| CAP | CAO | HAO | HAOA | 119.5° | 120.0° |
| CAO | CAP | CAQ | HAP | 120.0° | 120.0° |
| CAO | CAP | CAQ | HAPA | 117.9° | 120.0° |
| CAO | CAP | HAP | HAPA | 118.1° | 120.0° |
| CAO | CAP | CAQ | CAR | 175.3° | 180.0° |
| CAO | CAP | CAQ | HAQ | 55.2° | 60.0° |
| CAO | CAP | CAQ | HAQA | 63.8° | 60.0° |
| HAO | CAO | CAP | CAQ | 41.6° | 60.0° |
| HAO | CAO | CAP | HAP | 78.4° | 179.9° |
| HAO | CAO | CAP | HAPA | 159.6° | 60.0° |
| HAOA | CAO | CAP | CAQ | 162.2° | 60.0° |
| HAOA | CAO | CAP | HAP | 42.2° | 60.0° |
| HAOA | CAO | CAP | HAPA | 79.9° | 180.0° |
| CAQ | CAP | HAP | HAPA | 118.1° | 120.0° |
| CAP | CAQ | CAR | HAQ | 120.0° | 120.0° |
| CAP | CAQ | CAR | HAQA | 120.9° | 120.0° |
| CAP | CAQ | HAQ | HAQA | 120.9° | 120.0° |
| CAP | CAQ | CAR | HAR | 135.7° | 180.0° |
| CAP | CAQ | CAR | HARA | 15.7° | 60.0° |
| CAP | CAQ | CAR | HARB | 104.3° | 60.0° |
| HAP | CAP | CAQ | CAR | 64.7° | 60.0° |
| HAP | CAP | CAQ | HAQ | 175.2° | 180.0° |
| HAP | CAP | CAQ | HAQA | 56.2° | 60.0° |
| HAPA | CAP | CAQ | CAR | 57.3° | 60.0° |
| HAPA | CAP | CAQ | HAQ | 62.7° | 60.0° |
| HAPA | CAP | CAQ | HAQA | 178.2° | 180.0° |
| CAR | CAQ | HAQ | HAQA | 120.9° | 120.0° |
| CAQ | CAR | HAR | HARA | 120.0° | 120.0° |
| CAQ | CAR | HAR | HARB | 120.0° | 119.9° |
| CAQ | CAR | HARA | HARB | 120.0° | 120.0° |
| HAQ | CAQ | CAR | HAR | 104.3° | 60.0° |
| HAQ | CAQ | CAR | HARA | 135.7° | 180.0° |
| HAQ | CAQ | CAR | HARB | 15.7° | 60.0° |
| HAQA | CAQ | CAR | HAR | 14.8° | 60.0° |
| HAQA | CAQ | CAR | HARA | 105.2° | 60.0° |
| HAQA | CAQ | CAR | HARB | 134.8° | 180.0° |
| HAR | CAR | HARA | HARB | 120.0° | 120.1° |
