9JB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAF | sing | 1.53Å | 1.54Å | |
| OAG | CAF | sing | 1.43Å | 1.41Å | |
| CAF | CAE | sing | 1.53Å | 1.52Å | |
| CAE | OAD | sing | 1.43Å | 1.43Å | |
| OAD | CAC | sing | 1.43Å | 1.41Å | |
| CAC | CAM | sing | 1.53Å | 1.51Å | |
| CAN | OAO | sing | 1.43Å | 1.43Å | |
| CAN | CAM | sing | 1.53Å | 1.57Å | |
| CAW | CAM | sing | 1.53Å | 1.55Å | |
| CAW | OAV | sing | 1.43Å | 1.42Å | |
| CAM | CAL | sing | 1.53Å | 1.61Å | |
| OAV | CAU | sing | 1.43Å | 1.42Å | |
| CAU | CAT | sing | 1.53Å | 1.56Å | |
| CAL | OAK | sing | 1.43Å | 1.42Å | |
| OAK | CAJ | sing | 1.43Å | 1.45Å | |
| OAS | CAT | sing | 1.43Å | 1.38Å | |
| CAT | CAY | sing | 1.53Å | 1.52Å | |
| CAJ | CAI | sing | 1.53Å | 1.50Å | |
| CAI | OAH | sing | 1.43Å | 1.40Å | |
| CAI | CAB | sing | 1.53Å | 1.53Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAC | HACA | sing | 1.09Å | 1.10Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAE | HAE | sing | 1.09Å | 1.10Å | |
| CAE | HAEA | sing | 1.09Å | 1.10Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| OAG | HOAG | sing | 0.97Å | 0.95Å | |
| OAH | HOAH | sing | 0.97Å | 0.95Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HALA | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| OAO | HA4 | sing | 0.97Å | 0.95Å | |
| OAS | HOAS | sing | 0.97Å | 0.95Å | |
| CAT | HAT | sing | 1.09Å | 1.10Å | |
| CAU | HAU | sing | 1.09Å | 1.10Å | |
| CAU | HAUA | sing | 1.09Å | 1.10Å | |
| CAW | HAW | sing | 1.09Å | 1.10Å | |
| CAW | HAWA | sing | 1.09Å | 1.10Å | |
| CAY | HAYB | sing | 1.09Å | 1.10Å | |
| CAY | HAY | sing | 1.09Å | 1.10Å | |
| CAY | HAYA | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAF | OAG | 112.7° | 109.5° |
| CAA | CAF | CAE | 111.0° | 109.5° |
| CAF | CAA | HAAA | 109.5° | 109.5° |
| CAF | CAA | HAA | 109.5° | 109.5° |
| CAF | CAA | HAAB | 109.5° | 109.5° |
| CAA | CAF | HAF | 108.2° | 109.4° |
| OAG | CAF | CAE | 106.7° | 109.5° |
| OAG | CAF | HAF | 109.9° | 109.5° |
| CAF | OAG | HOAG | 109.5° | 114.0° |
| CAF | CAE | OAD | 109.8° | 109.4° |
| CAF | CAE | HAE | 109.4° | 109.4° |
| CAF | CAE | HAEA | 109.4° | 109.4° |
| CAE | CAF | HAF | 108.4° | 109.5° |
| CAE | OAD | CAC | 111.8° | 114.0° |
| OAD | CAE | HAE | 109.4° | 109.5° |
| OAD | CAE | HAEA | 109.4° | 109.5° |
| OAD | CAC | CAM | 108.6° | 109.5° |
| OAD | CAC | HACA | 109.7° | 109.5° |
| OAD | CAC | HAC | 109.7° | 109.5° |
| CAC | CAM | CAN | 112.1° | 109.4° |
| CAC | CAM | CAW | 111.0° | 109.5° |
| CAC | CAM | CAL | 105.4° | 109.4° |
| CAM | CAC | HACA | 109.7° | 109.5° |
| CAM | CAC | HAC | 109.7° | 109.5° |
| OAO | CAN | CAM | 109.8° | 109.5° |
| OAO | CAN | HANA | 109.4° | 109.5° |
| OAO | CAN | HAN | 109.4° | 109.5° |
| CAN | OAO | HA4 | 109.5° | 114.0° |
| CAN | CAM | CAW | 107.5° | 109.5° |
| CAN | CAM | CAL | 110.2° | 109.5° |
| CAM | CAN | HANA | 109.4° | 109.5° |
| CAM | CAN | HAN | 109.4° | 109.4° |
| CAM | CAW | OAV | 108.5° | 109.5° |
| CAW | CAM | CAL | 110.7° | 109.5° |
| CAM | CAW | HAW | 109.7° | 109.5° |
| CAM | CAW | HAWA | 109.7° | 109.4° |
| CAW | OAV | CAU | 116.9° | 114.0° |
| OAV | CAW | HAW | 109.7° | 109.5° |
| OAV | CAW | HAWA | 109.7° | 109.4° |
| CAM | CAL | OAK | 106.6° | 109.5° |
| CAM | CAL | HAL | 110.2° | 109.5° |
| CAM | CAL | HALA | 110.2° | 109.5° |
| OAV | CAU | CAT | 113.5° | 109.5° |
| OAV | CAU | HAU | 108.5° | 109.5° |
| OAV | CAU | HAUA | 108.5° | 109.5° |
| CAU | CAT | OAS | 110.6° | 109.5° |
| CAU | CAT | CAY | 112.0° | 109.5° |
| CAU | CAT | HAT | 107.9° | 109.5° |
| CAT | CAU | HAU | 108.4° | 109.5° |
| CAT | CAU | HAUA | 108.5° | 109.5° |
| CAL | OAK | CAJ | 111.8° | 114.0° |
| OAK | CAL | HAL | 110.2° | 109.5° |
| OAK | CAL | HALA | 110.2° | 109.5° |
| OAK | CAJ | CAI | 107.7° | 109.5° |
| OAK | CAJ | HAJ | 109.9° | 109.4° |
| OAK | CAJ | HAJA | 109.9° | 109.5° |
| OAS | CAT | CAY | 107.7° | 109.5° |
| CAT | OAS | HOAS | 109.5° | 114.0° |
| OAS | CAT | HAT | 110.3° | 109.5° |
| CAY | CAT | HAT | 108.3° | 109.5° |
| CAT | CAY | HAYB | 109.5° | 109.5° |
| CAT | CAY | HAY | 109.5° | 109.5° |
| CAT | CAY | HAYA | 109.5° | 109.5° |
| CAJ | CAI | OAH | 109.1° | 109.5° |
| CAJ | CAI | CAB | 109.0° | 109.5° |
| CAJ | CAI | HAI | 109.3° | 109.4° |
| CAI | CAJ | HAJ | 109.9° | 109.5° |
| CAI | CAJ | HAJA | 109.9° | 109.5° |
| OAH | CAI | CAB | 109.8° | 109.5° |
| CAI | OAH | HOAH | 109.5° | 114.0° |
| OAH | CAI | HAI | 110.7° | 109.5° |
| CAI | CAB | HABB | 109.5° | 109.4° |
| CAI | CAB | HABA | 109.5° | 109.5° |
| CAI | CAB | HAB | 109.5° | 109.4° |
| CAB | CAI | HAI | 108.9° | 109.5° |
| HAAA | CAA | HAA | 109.4° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.4° |
| HABB | CAB | HABA | 109.4° | 109.5° |
| HABB | CAB | HAB | 109.4° | 109.5° |
| HABA | CAB | HAB | 109.5° | 109.5° |
| HACA | CAC | HAC | 109.5° | 109.5° |
| HAE | CAE | HAEA | 109.4° | 109.5° |
| HAJ | CAJ | HAJA | 109.5° | 109.5° |
| HAL | CAL | HALA | 109.5° | 109.4° |
| HANA | CAN | HAN | 109.5° | 109.5° |
| HAU | CAU | HAUA | 109.4° | 109.5° |
| HAW | CAW | HAWA | 109.5° | 109.5° |
| HAYB | CAY | HAY | 109.5° | 109.5° |
| HAYB | CAY | HAYA | 109.4° | 109.4° |
| HAY | CAY | HAYA | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAF | OAG | CAE | 122.0° | 120.0° |
| CAA | CAF | OAG | HAF | 120.7° | 120.0° |
| CAA | CAF | CAE | HAF | 118.6° | 120.0° |
| CAA | CAF | CAE | OAD | 177.4° | 175.0° |
| CAF | CAA | HAAA | HAA | 120.0° | 120.0° |
| CAF | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAF | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAA | CAF | CAE | HAE | 57.4° | 55.0° |
| CAA | CAF | CAE | HAEA | 62.5° | 65.0° |
| CAA | CAF | OAG | HOAG | 180.0° | 60.0° |
| OAG | CAF | CAE | HAF | 118.3° | 120.0° |
| OAG | CAF | CAE | OAD | 54.3° | 65.0° |
| OAG | CAF | CAA | HAAA | 180.0° | 60.0° |
| OAG | CAF | CAA | HAA | 60.0° | 60.0° |
| OAG | CAF | CAA | HAAB | 60.0° | 180.0° |
| OAG | CAF | CAE | HAE | 65.7° | 175.0° |
| OAG | CAF | CAE | HAEA | 174.4° | 55.0° |
| CAF | CAE | OAD | HAE | 120.1° | 120.0° |
| CAF | CAE | OAD | HAEA | 120.1° | 120.0° |
| CAF | CAE | OAD | CAC | 166.7° | 180.0° |
| CAE | CAF | CAA | HAAA | 60.4° | 60.0° |
| CAE | CAF | CAA | HAA | 59.6° | 180.0° |
| CAE | CAF | CAA | HAAB | 179.6° | 60.0° |
| CAF | CAE | HAE | HAEA | 119.8° | 120.0° |
| CAE | CAF | OAG | HOAG | 58.0° | 60.0° |
| CAE | OAD | CAC | CAM | 179.5° | 180.0° |
| CAE | OAD | CAC | HACA | 59.6° | 60.0° |
| CAE | OAD | CAC | HAC | 60.7° | 60.0° |
| OAD | CAE | HAE | HAEA | 119.9° | 120.1° |
| OAD | CAE | CAF | HAF | 63.9° | 55.0° |
| OAD | CAC | CAM | HACA | 119.9° | 120.0° |
| OAD | CAC | CAM | HAC | 119.8° | 120.0° |
| OAD | CAC | CAM | CAN | 59.9° | 60.0° |
| OAD | CAC | CAM | CAW | 60.4° | 180.0° |
| OAD | CAC | CAM | CAL | 179.8° | 60.0° |
| OAD | CAC | HACA | HAC | 120.4° | 120.0° |
| CAC | OAD | CAE | HAE | 73.3° | 60.1° |
| CAC | OAD | CAE | HAEA | 46.6° | 60.0° |
| CAC | CAM | CAN | OAO | 60.2° | 60.0° |
| CAC | CAM | CAN | CAW | 122.2° | 120.0° |
| CAC | CAM | CAN | CAL | 117.1° | 120.0° |
| CAC | CAM | CAW | CAL | 116.7° | 120.0° |
| CAC | CAM | CAW | OAV | 176.2° | 180.0° |
| CAC | CAM | CAL | OAK | 64.1° | 60.0° |
| CAM | CAC | HACA | HAC | 120.4° | 120.0° |
| CAC | CAM | CAL | HAL | 55.4° | 180.0° |
| CAC | CAM | CAL | HALA | 176.3° | 60.0° |
| CAC | CAM | CAN | HANA | 179.8° | 180.0° |
| CAC | CAM | CAN | HAN | 59.9° | 60.0° |
| CAC | CAM | CAW | HAW | 64.0° | 60.0° |
| CAC | CAM | CAW | HAWA | 56.4° | 60.1° |
| OAO | CAN | CAM | HANA | 120.0° | 120.0° |
| OAO | CAN | CAM | HAN | 120.1° | 120.0° |
| OAO | CAN | CAM | CAW | 177.6° | 60.0° |
| OAO | CAN | CAM | CAL | 56.9° | 180.0° |
| OAO | CAN | HANA | HAN | 119.9° | 120.0° |
| CAN | CAM | CAW | CAL | 120.4° | 120.1° |
| CAN | CAM | CAW | OAV | 60.9° | 60.1° |
| CAN | CAM | CAL | OAK | 174.7° | 180.0° |
| CAN | CAM | CAC | HACA | 179.7° | 60.0° |
| CAN | CAM | CAC | HAC | 60.0° | 180.0° |
| CAN | CAM | CAL | HAL | 65.7° | 60.0° |
| CAN | CAM | CAL | HALA | 55.2° | 60.0° |
| CAM | CAN | HANA | HAN | 119.8° | 119.9° |
| CAM | CAN | OAO | HA4 | 180.0° | 180.0° |
| CAN | CAM | CAW | HAW | 58.9° | 60.0° |
| CAN | CAM | CAW | HAWA | 179.3° | 180.0° |
| CAM | CAW | OAV | HAW | 119.8° | 120.1° |
| CAM | CAW | OAV | HAWA | 119.8° | 119.9° |
| CAM | CAW | OAV | CAU | 167.3° | 180.0° |
| CAW | CAM | CAL | OAK | 56.0° | 60.0° |
| CAW | CAM | CAC | HACA | 59.5° | 60.0° |
| CAW | CAM | CAC | HAC | 179.8° | 60.0° |
| CAW | CAM | CAL | HAL | 175.5° | 60.0° |
| CAW | CAM | CAL | HALA | 63.6° | 180.0° |
| CAW | CAM | CAN | HANA | 57.5° | 60.1° |
| CAW | CAM | CAN | HAN | 62.4° | 180.0° |
| CAM | CAW | HAW | HAWA | 120.5° | 120.0° |
| OAV | CAW | CAM | CAL | 59.5° | 60.0° |
| CAW | OAV | CAU | CAT | 92.3° | 180.0° |
| CAW | OAV | CAU | HAU | 147.1° | 60.0° |
| CAW | OAV | CAU | HAUA | 28.3° | 60.0° |
| OAV | CAW | HAW | HAWA | 120.4° | 120.0° |
| CAM | CAL | OAK | HAL | 119.6° | 120.0° |
| CAM | CAL | OAK | HALA | 119.5° | 120.0° |
| CAM | CAL | OAK | CAJ | 178.6° | 180.0° |
| CAL | CAM | CAC | HACA | 60.4° | 180.0° |
| CAL | CAM | CAC | HAC | 59.9° | 60.0° |
| CAM | CAL | HAL | HALA | 121.3° | 120.0° |
| CAL | CAM | CAN | HANA | 63.2° | 60.0° |
| CAL | CAM | CAN | HAN | 176.9° | 59.9° |
| CAL | CAM | CAW | HAW | 179.3° | 179.9° |
| CAL | CAM | CAW | HAWA | 60.3° | 59.9° |
| OAV | CAU | CAT | HAU | 120.6° | 120.0° |
| OAV | CAU | CAT | HAUA | 120.6° | 120.0° |
| OAV | CAU | CAT | OAS | 65.8° | 65.0° |
| OAV | CAU | CAT | CAY | 54.3° | 175.0° |
| OAV | CAU | CAT | HAT | 173.5° | 55.0° |
| OAV | CAU | HAU | HAUA | 118.2° | 120.0° |
| CAU | OAV | CAW | HAW | 72.9° | 60.0° |
| CAU | OAV | CAW | HAWA | 47.4° | 60.1° |
| CAU | CAT | OAS | CAY | 122.7° | 120.0° |
| CAU | CAT | OAS | HAT | 119.2° | 120.1° |
| CAU | CAT | CAY | HAT | 118.8° | 120.1° |
| CAU | CAT | OAS | HOAS | 180.0° | 60.0° |
| CAT | CAU | HAU | HAUA | 118.2° | 120.0° |
| CAU | CAT | CAY | HAYB | 180.0° | 60.0° |
| CAU | CAT | CAY | HAY | 60.0° | 60.0° |
| CAU | CAT | CAY | HAYA | 60.0° | 180.0° |
| CAL | OAK | CAJ | CAI | 177.7° | 180.0° |
| CAL | OAK | CAJ | HAJ | 62.6° | 60.1° |
| CAL | OAK | CAJ | HAJA | 58.0° | 60.0° |
| OAK | CAL | HAL | HALA | 121.3° | 120.0° |
| OAK | CAJ | CAI | HAJ | 119.7° | 119.9° |
| OAK | CAJ | CAI | HAJA | 119.7° | 120.0° |
| OAK | CAJ | CAI | OAH | 70.4° | 65.1° |
| OAK | CAJ | CAI | CAB | 169.7° | 55.0° |
| OAK | CAJ | CAI | HAI | 50.8° | 175.0° |
| OAK | CAJ | HAJ | HAJA | 120.8° | 120.0° |
| CAJ | OAK | CAL | HAL | 61.8° | 60.0° |
| CAJ | OAK | CAL | HALA | 59.1° | 60.0° |
| OAS | CAT | CAY | HAT | 119.3° | 120.0° |
| OAS | CAT | CAU | HAU | 173.6° | 175.0° |
| OAS | CAT | CAU | HAUA | 54.8° | 55.0° |
| OAS | CAT | CAY | HAYB | 58.1° | 59.9° |
| OAS | CAT | CAY | HAY | 61.9° | 180.0° |
| OAS | CAT | CAY | HAYA | 178.1° | 60.0° |
| CAY | CAT | OAS | HOAS | 57.3° | 60.0° |
| CAY | CAT | CAU | HAU | 66.3° | 55.0° |
| CAY | CAT | CAU | HAUA | 175.0° | 65.0° |
| CAT | CAY | HAYB | HAY | 120.0° | 120.0° |
| CAT | CAY | HAYB | HAYA | 120.0° | 119.9° |
| CAT | CAY | HAY | HAYA | 120.0° | 120.0° |
| CAJ | CAI | OAH | CAB | 119.4° | 120.0° |
| CAJ | CAI | OAH | HAI | 120.3° | 120.0° |
| CAJ | CAI | CAB | HAI | 119.1° | 120.0° |
| CAJ | CAI | CAB | HABB | 180.0° | 180.0° |
| CAJ | CAI | CAB | HABA | 60.0° | 60.0° |
| CAJ | CAI | CAB | HAB | 60.0° | 60.0° |
| CAJ | CAI | OAH | HOAH | 180.0° | 180.0° |
| CAI | CAJ | HAJ | HAJA | 120.8° | 120.1° |
| OAH | CAI | CAB | HAI | 121.4° | 120.0° |
| OAH | CAI | CAB | HABB | 60.6° | 60.0° |
| OAH | CAI | CAB | HABA | 179.4° | 180.0° |
| OAH | CAI | CAB | HAB | 59.4° | 60.0° |
| OAH | CAI | CAJ | HAJ | 169.8° | 175.1° |
| OAH | CAI | CAJ | HAJA | 49.3° | 55.0° |
| CAI | CAB | HABB | HABA | 120.0° | 120.0° |
| CAI | CAB | HABB | HAB | 120.0° | 120.0° |
| CAI | CAB | HABA | HAB | 120.0° | 120.0° |
| CAB | CAI | OAH | HOAH | 60.6° | 60.0° |
| CAB | CAI | CAJ | HAJ | 49.9° | 64.9° |
| CAB | CAI | CAJ | HAJA | 70.6° | 175.0° |
| HAAA | CAA | HAA | HAAB | 120.0° | 120.0° |
| HAAA | CAA | CAF | HAF | 58.4° | 180.0° |
| HAA | CAA | CAF | HAF | 178.3° | 60.0° |
| HAAB | CAA | CAF | HAF | 61.6° | 60.0° |
| HABB | CAB | HABA | HAB | 119.9° | 120.1° |
| HABB | CAB | CAI | HAI | 60.9° | 60.0° |
| HABA | CAB | CAI | HAI | 59.1° | 60.0° |
| HAB | CAB | CAI | HAI | 179.1° | 180.0° |
| HAE | CAE | CAF | HAF | 176.0° | 65.0° |
| HAEA | CAE | CAF | HAF | 56.2° | 175.0° |
| HAF | CAF | OAG | HOAG | 59.3° | 180.0° |
| HOAH | OAH | CAI | HAI | 59.7° | 60.0° |
| HAI | CAI | CAJ | HAJ | 69.0° | 55.1° |
| HAI | CAI | CAJ | HAJA | 170.5° | 65.0° |
| HANA | CAN | OAO | HA4 | 60.0° | 60.0° |
| HAN | CAN | OAO | HA4 | 59.9° | 60.0° |
| HOAS | OAS | CAT | HAT | 60.7° | 179.9° |
| HAT | CAT | CAU | HAU | 52.8° | 65.0° |
| HAT | CAT | CAU | HAUA | 65.9° | 175.0° |
| HAT | CAT | CAY | HAYB | 61.2° | 179.9° |
| HAT | CAT | CAY | HAY | 178.8° | 60.1° |
| HAT | CAT | CAY | HAYA | 58.8° | 60.0° |
| HAYB | CAY | HAY | HAYA | 120.0° | 120.0° |
