B89
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAG | sing | 1.53Å | 1.51Å | |
| OAB | CAR | doub | 1.21Å | 1.29Å | |
| OAC | CAS | sing | 1.34Å | 1.38Å | |
| CLAD | CAE | sing | 1.74Å | 1.74Å | |
| CAE | CAF | doub | 1.31Å | 1.39Å | |
| CAF | CAH | sing | 1.51Å | 1.39Å | |
| CAG | CAT | sing | 1.51Å | 1.54Å | |
| CAH | OAQ | sing | 1.43Å | 1.42Å | |
| CAI | CAK | sing | 1.53Å | 1.55Å | |
| CAI | OAP | sing | 1.43Å | 1.47Å | |
| CAJ | CAL | sing | 1.53Å | 1.55Å | |
| CAJ | OAP | sing | 1.43Å | 1.45Å | |
| CAK | CAV | sing | 1.53Å | 1.55Å | |
| CAL | CAV | sing | 1.53Å | 1.55Å | |
| CAM | CAR | sing | 1.51Å | 1.52Å | |
| CAM | CAW | sing | 1.53Å | 1.55Å | |
| CAN | CAS | sing | 1.51Å | 1.53Å | |
| CAN | CAW | sing | 1.53Å | 1.55Å | |
| NAO | OAQ | sing | 1.42Å | 1.36Å | |
| NAO | CAT | doub | 1.29Å | 1.33Å | |
| CAR | CAU | sing | 1.42Å | 1.53Å | |
| CAS | CAU | doub | 1.36Å | 1.38Å | |
| CAT | CAU | sing | 1.47Å | 1.39Å | |
| CAV | CAW | sing | 1.53Å | 1.56Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAG | HAGA | sing | 1.09Å | 1.10Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| CAH | HAHA | sing | 1.09Å | 1.10Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAI | HAIA | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HALA | sing | 1.09Å | 1.10Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAMA | sing | 1.09Å | 1.10Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| CAV | HAV | sing | 1.09Å | 1.10Å | |
| CAW | HAW | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAG | CAT | 112.2° | 109.5° |
| CAG | CAA | HAA | 109.5° | 109.5° |
| CAG | CAA | HAAA | 109.5° | 109.5° |
| CAG | CAA | HAAB | 109.4° | 109.4° |
| CAA | CAG | HAG | 108.6° | 109.4° |
| CAA | CAG | HAGA | 108.6° | 109.4° |
| OAB | CAR | CAM | 118.9° | 119.8° |
| OAB | CAR | CAU | 119.7° | 119.8° |
| OAC | CAS | CAN | 119.9° | 119.5° |
| OAC | CAS | CAU | 116.6° | 119.5° |
| CAS | OAC | HOAC | 109.5° | 117.0° |
| CLAD | CAE | CAF | 118.6° | 120.0° |
| CLAD | CAE | HAE | 120.7° | 120.0° |
| CAE | CAF | CAH | 120.9° | 120.0° |
| CAF | CAE | HAE | 120.7° | 120.0° |
| CAE | CAF | HAF | 119.5° | 120.0° |
| CAF | CAH | OAQ | 108.9° | 109.5° |
| CAH | CAF | HAF | 119.5° | 120.0° |
| CAF | CAH | HAH | 109.7° | 109.5° |
| CAF | CAH | HAHA | 109.7° | 109.5° |
| CAG | CAT | NAO | 117.9° | 120.0° |
| CAG | CAT | CAU | 123.7° | 120.0° |
| CAT | CAG | HAG | 108.6° | 109.5° |
| CAT | CAG | HAGA | 108.6° | 109.5° |
| CAH | OAQ | NAO | 112.1° | 114.0° |
| OAQ | CAH | HAH | 109.7° | 109.5° |
| OAQ | CAH | HAHA | 109.7° | 109.5° |
| CAK | CAI | OAP | 111.0° | 109.4° |
| CAI | CAK | CAV | 109.4° | 109.1° |
| CAK | CAI | HAI | 109.0° | 109.4° |
| CAK | CAI | HAIA | 108.9° | 109.4° |
| CAI | CAK | HAK | 109.5° | 109.5° |
| CAI | CAK | HAKA | 109.5° | 109.5° |
| CAI | OAP | CAJ | 112.3° | 114.1° |
| OAP | CAI | HAI | 108.9° | 109.5° |
| OAP | CAI | HAIA | 108.9° | 109.5° |
| CAL | CAJ | OAP | 109.5° | 109.4° |
| CAJ | CAL | CAV | 109.6° | 109.1° |
| CAL | CAJ | HAJ | 109.5° | 109.5° |
| CAL | CAJ | HAJA | 109.5° | 109.5° |
| CAJ | CAL | HAL | 109.4° | 109.5° |
| CAJ | CAL | HALA | 109.4° | 109.5° |
| OAP | CAJ | HAJ | 109.5° | 109.4° |
| OAP | CAJ | HAJA | 109.5° | 109.4° |
| CAK | CAV | CAL | 110.4° | 109.0° |
| CAK | CAV | CAW | 112.5° | 109.5° |
| CAV | CAK | HAK | 109.5° | 109.5° |
| CAV | CAK | HAKA | 109.5° | 109.5° |
| CAK | CAV | HAV | 108.4° | 109.6° |
| CAL | CAV | CAW | 114.1° | 109.5° |
| CAV | CAL | HAL | 109.4° | 109.5° |
| CAV | CAL | HALA | 109.4° | 109.5° |
| CAL | CAV | HAV | 106.6° | 109.6° |
| CAR | CAM | CAW | 111.3° | 109.1° |
| CAM | CAR | CAU | 121.4° | 120.4° |
| CAR | CAM | HAM | 108.9° | 109.5° |
| CAR | CAM | HAMA | 108.9° | 109.5° |
| CAM | CAW | CAN | 112.0° | 109.0° |
| CAM | CAW | CAV | 111.7° | 109.6° |
| CAW | CAM | HAM | 108.9° | 109.6° |
| CAW | CAM | HAMA | 108.9° | 109.6° |
| CAM | CAW | HAW | 108.0° | 109.5° |
| CAS | CAN | CAW | 111.5° | 109.5° |
| CAN | CAS | CAU | 123.5° | 121.0° |
| CAS | CAN | HAN | 108.8° | 109.5° |
| CAS | CAN | HANA | 108.8° | 109.5° |
| CAN | CAW | CAV | 114.6° | 109.6° |
| CAW | CAN | HAN | 108.8° | 109.4° |
| CAW | CAN | HANA | 108.8° | 109.5° |
| CAN | CAW | HAW | 104.7° | 109.6° |
| OAQ | NAO | CAT | 116.5° | 120.0° |
| NAO | CAT | CAU | 118.3° | 120.0° |
| CAR | CAU | CAS | 118.0° | 121.3° |
| CAR | CAU | CAT | 123.2° | 119.3° |
| CAS | CAU | CAT | 118.8° | 119.4° |
| CAW | CAV | HAV | 104.3° | 109.6° |
| CAV | CAW | HAW | 105.1° | 109.6° |
| HAA | CAA | HAAA | 109.5° | 109.4° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.6° |
| HAG | CAG | HAGA | 110.4° | 109.5° |
| HAH | CAH | HAHA | 109.3° | 109.4° |
| HAI | CAI | HAIA | 110.0° | 109.5° |
| HAJ | CAJ | HAJA | 109.5° | 109.5° |
| HAK | CAK | HAKA | 109.4° | 109.6° |
| HAL | CAL | HALA | 109.5° | 109.6° |
| HAM | CAM | HAMA | 110.1° | 109.5° |
| HAN | CAN | HANA | 110.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAG | CAT | HAG | 120.0° | 120.0° |
| CAA | CAG | CAT | HAGA | 120.0° | 120.0° |
| CAA | CAG | CAT | NAO | 108.6° | 85.0° |
| CAA | CAG | CAT | CAU | 77.0° | 95.1° |
| CAG | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAG | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAG | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAG | HAG | HAGA | 118.9° | 120.0° |
| OAB | CAR | CAM | CAU | 178.5° | 180.0° |
| OAB | CAR | CAM | CAW | 153.7° | 151.1° |
| OAB | CAR | CAU | CAS | 179.1° | 179.8° |
| OAB | CAR | CAU | CAT | 1.3° | 0.2° |
| OAB | CAR | CAM | HAM | 33.7° | 31.1° |
| OAB | CAR | CAM | HAMA | 86.3° | 89.0° |
| OAC | CAS | CAN | CAU | 179.2° | 180.0° |
| OAC | CAS | CAN | CAW | 154.3° | 150.1° |
| OAC | CAS | CAU | CAR | 179.5° | 179.8° |
| OAC | CAS | CAU | CAT | 0.1° | 0.2° |
| OAC | CAS | CAN | HAN | 85.7° | 89.9° |
| OAC | CAS | CAN | HANA | 34.3° | 30.1° |
| CLAD | CAE | CAF | HAE | 180.0° | 180.0° |
| CLAD | CAE | CAF | CAH | 178.1° | 180.0° |
| CLAD | CAE | CAF | HAF | 1.9° | 0.0° |
| CAE | CAF | CAH | HAF | 180.0° | 180.0° |
| CAE | CAF | CAH | OAQ | 119.1° | 135.0° |
| CAE | CAF | CAH | HAH | 0.9° | 105.0° |
| CAE | CAF | CAH | HAHA | 120.9° | 14.9° |
| CAF | CAH | OAQ | HAH | 120.0° | 120.0° |
| CAF | CAH | OAQ | HAHA | 120.0° | 120.0° |
| CAF | CAH | OAQ | NAO | 158.5° | 180.0° |
| CAH | CAF | CAE | HAE | 1.9° | 0.0° |
| CAF | CAH | HAH | HAHA | 120.3° | 120.0° |
| CAG | CAT | NAO | OAQ | 3.8° | 0.0° |
| CAG | CAT | NAO | CAU | 174.8° | 180.0° |
| CAG | CAT | CAU | CAR | 120.6° | 75.1° |
| CAG | CAT | CAU | CAS | 59.9° | 104.9° |
| CAT | CAG | CAA | HAA | 180.0° | 60.0° |
| CAT | CAG | CAA | HAAA | 60.0° | 60.0° |
| CAT | CAG | CAA | HAAB | 60.0° | 179.9° |
| CAT | CAG | HAG | HAGA | 118.9° | 120.1° |
| CAH | OAQ | NAO | CAT | 169.7° | 180.0° |
| OAQ | CAH | CAF | HAF | 60.9° | 45.0° |
| OAQ | CAH | HAH | HAHA | 120.2° | 120.0° |
| CAK | CAI | OAP | HAI | 120.0° | 119.9° |
| CAK | CAI | OAP | HAIA | 120.0° | 120.0° |
| CAK | CAI | OAP | CAJ | 60.9° | 61.2° |
| CAI | CAK | CAV | HAK | 120.0° | 119.9° |
| CAI | CAK | CAV | HAKA | 120.0° | 119.9° |
| CAI | CAK | CAV | CAL | 53.6° | 57.0° |
| CAI | CAK | CAV | CAW | 177.7° | 176.8° |
| CAK | CAI | HAI | HAIA | 119.4° | 120.0° |
| CAI | CAK | HAK | HAKA | 120.0° | 120.2° |
| CAI | CAK | CAV | HAV | 62.9° | 62.9° |
| CAI | OAP | CAJ | CAL | 61.8° | 61.2° |
| OAP | CAI | CAK | CAV | 55.4° | 57.6° |
| OAP | CAI | HAI | HAIA | 119.3° | 120.1° |
| CAI | OAP | CAJ | HAJ | 58.2° | 58.8° |
| CAI | OAP | CAJ | HAJA | 178.2° | 178.8° |
| OAP | CAI | CAK | HAK | 175.4° | 177.5° |
| OAP | CAI | CAK | HAKA | 64.6° | 62.3° |
| CAL | CAJ | OAP | HAJ | 120.0° | 120.0° |
| CAL | CAJ | OAP | HAJA | 120.0° | 120.0° |
| CAJ | CAL | CAV | CAK | 55.5° | 57.0° |
| CAJ | CAL | CAV | HAL | 120.0° | 119.9° |
| CAJ | CAL | CAV | HALA | 120.0° | 119.9° |
| CAJ | CAL | CAV | CAW | 176.7° | 176.9° |
| CAL | CAJ | HAJ | HAJA | 120.0° | 120.1° |
| CAJ | CAL | HAL | HALA | 120.0° | 120.2° |
| CAJ | CAL | CAV | HAV | 62.1° | 62.9° |
| OAP | CAJ | CAL | CAV | 58.6° | 57.6° |
| CAJ | OAP | CAI | HAI | 179.1° | 178.9° |
| CAJ | OAP | CAI | HAIA | 59.1° | 58.8° |
| OAP | CAJ | HAJ | HAJA | 120.0° | 120.0° |
| OAP | CAJ | CAL | HAL | 61.4° | 62.2° |
| OAP | CAJ | CAL | HALA | 178.6° | 177.5° |
| CAK | CAV | CAL | CAW | 127.8° | 119.9° |
| CAK | CAV | CAL | HAV | 117.6° | 119.9° |
| CAK | CAV | CAW | CAM | 163.3° | 60.0° |
| CAK | CAV | CAW | CAN | 68.0° | 179.5° |
| CAK | CAV | CAW | HAV | 117.3° | 120.2° |
| CAV | CAK | CAI | HAI | 175.4° | 177.6° |
| CAV | CAK | CAI | HAIA | 64.6° | 62.4° |
| CAV | CAK | HAK | HAKA | 120.0° | 120.2° |
| CAK | CAV | CAL | HAL | 64.6° | 62.9° |
| CAK | CAV | CAL | HALA | 175.5° | 176.9° |
| CAK | CAV | CAW | HAW | 46.4° | 60.2° |
| CAL | CAV | CAW | CAM | 70.0° | 179.5° |
| CAL | CAV | CAW | CAN | 58.8° | 61.0° |
| CAL | CAV | CAW | HAV | 115.9° | 120.2° |
| CAV | CAL | CAJ | HAJ | 61.5° | 62.3° |
| CAV | CAL | CAJ | HAJA | 178.6° | 177.6° |
| CAL | CAV | CAK | HAK | 173.6° | 176.9° |
| CAL | CAV | CAK | HAKA | 66.4° | 62.9° |
| CAV | CAL | HAL | HALA | 119.9° | 120.2° |
| CAL | CAV | CAW | HAW | 173.2° | 59.3° |
| CAR | CAM | CAW | HAM | 120.0° | 119.9° |
| CAR | CAM | CAW | HAMA | 120.0° | 119.9° |
| CAR | CAM | CAW | CAN | 50.5° | 57.3° |
| CAM | CAR | CAU | CAS | 0.6° | 0.3° |
| CAM | CAR | CAU | CAT | 179.9° | 179.8° |
| CAR | CAM | CAW | CAV | 179.4° | 177.2° |
| CAR | CAM | HAM | HAMA | 119.3° | 120.1° |
| CAR | CAM | CAW | HAW | 64.3° | 62.6° |
| CAM | CAW | CAN | CAS | 51.4° | 58.0° |
| CAM | CAW | CAN | CAV | 128.6° | 119.9° |
| CAM | CAW | CAN | HAW | 116.8° | 119.8° |
| CAW | CAM | CAR | CAU | 24.9° | 28.9° |
| CAM | CAW | CAV | HAW | 116.9° | 120.2° |
| CAW | CAM | HAM | HAMA | 119.3° | 120.2° |
| CAM | CAW | CAN | HAN | 68.5° | 62.0° |
| CAM | CAW | CAN | HANA | 171.4° | 178.1° |
| CAM | CAW | CAV | HAV | 46.0° | 60.3° |
| CAS | CAN | CAW | HAN | 120.0° | 120.0° |
| CAS | CAN | CAW | HANA | 120.0° | 120.0° |
| CAN | CAS | CAU | CAR | 0.2° | 0.2° |
| CAN | CAS | CAU | CAT | 179.3° | 179.8° |
| CAS | CAN | CAW | CAV | 179.9° | 177.9° |
| CAN | CAS | OAC | HOAC | 180.0° | 174.9° |
| CAS | CAN | HAN | HANA | 119.1° | 120.0° |
| CAS | CAN | CAW | HAW | 65.4° | 61.8° |
| CAW | CAN | CAS | CAU | 26.5° | 29.9° |
| CAN | CAW | CAV | HAW | 114.4° | 120.3° |
| CAN | CAW | CAM | HAM | 170.5° | 177.2° |
| CAN | CAW | CAM | HAMA | 69.5° | 62.6° |
| CAW | CAN | HAN | HANA | 119.2° | 120.0° |
| CAN | CAW | CAV | HAV | 174.7° | 59.2° |
| OAQ | NAO | CAT | CAU | 178.6° | 180.0° |
| NAO | OAQ | CAH | HAH | 81.5° | 60.0° |
| NAO | OAQ | CAH | HAHA | 38.4° | 60.0° |
| NAO | CAT | CAU | CAR | 65.0° | 104.9° |
| NAO | CAT | CAU | CAS | 114.6° | 75.1° |
| NAO | CAT | CAG | HAG | 11.5° | 35.0° |
| NAO | CAT | CAG | HAGA | 131.5° | 155.1° |
| CAR | CAU | CAS | CAT | 179.6° | 180.0° |
| CAU | CAR | CAM | HAM | 144.9° | 148.8° |
| CAU | CAR | CAM | HAMA | 95.1° | 91.0° |
| CAU | CAS | OAC | HOAC | 0.7° | 5.1° |
| CAU | CAS | CAN | HAN | 93.5° | 90.1° |
| CAU | CAS | CAN | HANA | 146.5° | 149.9° |
| CAU | CAT | CAG | HAG | 163.0° | 145.0° |
| CAU | CAT | CAG | HAGA | 43.0° | 24.9° |
| CAW | CAV | CAK | HAK | 57.7° | 63.3° |
| CAW | CAV | CAK | HAKA | 62.3° | 57.0° |
| CAW | CAV | CAL | HAL | 63.3° | 57.0° |
| CAW | CAV | CAL | HALA | 56.7° | 63.2° |
| CAV | CAW | CAM | HAM | 59.4° | 62.9° |
| CAV | CAW | CAM | HAMA | 60.6° | 57.3° |
| CAV | CAW | CAN | HAN | 60.1° | 57.9° |
| CAV | CAW | CAN | HANA | 59.9° | 62.1° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAA | CAA | CAG | HAG | 60.0° | 60.0° |
| HAA | CAA | CAG | HAGA | 60.0° | 180.0° |
| HAAA | CAA | CAG | HAG | 60.0° | 180.0° |
| HAAA | CAA | CAG | HAGA | 180.0° | 60.0° |
| HAAB | CAA | CAG | HAG | 180.0° | 60.0° |
| HAAB | CAA | CAG | HAGA | 60.0° | 60.0° |
| HAE | CAE | CAF | HAF | 178.1° | 180.0° |
| HAF | CAF | CAH | HAH | 179.1° | 75.0° |
| HAF | CAF | CAH | HAHA | 59.1° | 165.1° |
| HAI | CAI | CAK | HAK | 64.6° | 62.5° |
| HAI | CAI | CAK | HAKA | 55.4° | 57.7° |
| HAIA | CAI | CAK | HAK | 55.4° | 57.5° |
| HAIA | CAI | CAK | HAKA | 175.4° | 177.7° |
| HAJ | CAJ | CAL | HAL | 178.5° | 177.8° |
| HAJ | CAJ | CAL | HALA | 58.5° | 57.5° |
| HAJA | CAJ | CAL | HAL | 58.6° | 57.7° |
| HAJA | CAJ | CAL | HALA | 61.4° | 62.5° |
| HAK | CAK | CAV | HAV | 57.1° | 57.0° |
| HAKA | CAK | CAV | HAV | 177.1° | 177.2° |
| HAL | CAL | CAV | HAV | 177.9° | 177.2° |
| HALA | CAL | CAV | HAV | 57.9° | 57.0° |
| HAM | CAM | CAW | HAW | 55.7° | 57.3° |
| HAMA | CAM | CAW | HAW | 175.7° | 177.5° |
| HAN | CAN | CAW | HAW | 174.6° | 178.2° |
| HANA | CAN | CAW | HAW | 54.6° | 58.2° |
| HAV | CAV | CAW | HAW | 70.9° | 179.5° |
