BJ1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAJ | sing | 1.43Å | 1.44Å | |
| OAB | CAK | sing | 1.43Å | 1.43Å | |
| OAC | CAO | sing | 1.43Å | 1.44Å | |
| OAD | CAP | sing | 1.43Å | 1.43Å | |
| OAE | CAQ | sing | 1.43Å | 1.46Å | |
| OAF | CAR | sing | 1.43Å | 1.43Å | |
| OAG | SAV | doub | 1.45Å | 1.49Å | |
| OAH | SAV | sing | 1.45Å | 1.50Å | |
| OAI | SAV | doub | 1.45Å | 1.41Å | |
| CAJ | CAO | sing | 1.53Å | 1.51Å | |
| CAK | CAS | sing | 1.53Å | 1.57Å | |
| CAL | CAP | sing | 1.55Å | 1.53Å | |
| CAL | SAU | sing | 1.84Å | 1.83Å | |
| CAM | CAQ | sing | 1.53Å | 1.51Å | |
| CAM | SAU | sing | 1.81Å | 1.82Å | |
| OAN | CAT | sing | 1.43Å | 1.44Å | |
| OAN | SAV | sing | 1.52Å | 1.48Å | |
| CAO | CAT | sing | 1.53Å | 1.52Å | |
| CAP | CAR | sing | 1.53Å | 1.55Å | |
| CAQ | CAT | sing | 1.53Å | 1.55Å | |
| CAR | CAS | sing | 1.54Å | 1.55Å | |
| CAS | SAU | sing | 1.83Å | 1.82Å | |
| OAA | HOAA | sing | 0.97Å | 0.95Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| OAE | HOAE | sing | 0.97Å | 0.95Å | |
| OAF | HOAF | sing | 0.97Å | 0.95Å | |
| 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 | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| CAQ | HAQ | sing | 1.09Å | 1.10Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| CAS | HAS | sing | 1.09Å | 1.10Å | |
| CAT | HAT | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAJ | CAO | 108.3° | 109.5° |
| CAJ | OAA | HOAA | 109.5° | 114.0° |
| OAA | CAJ | HAJ | 109.9° | 109.5° |
| OAA | CAJ | HAJA | 109.9° | 109.5° |
| OAB | CAK | CAS | 109.8° | 109.5° |
| CAK | OAB | HOAB | 109.5° | 114.0° |
| OAB | CAK | HAK | 109.4° | 109.5° |
| OAB | CAK | HAKA | 109.4° | 109.5° |
| OAC | CAO | CAJ | 109.9° | 109.4° |
| OAC | CAO | CAT | 108.3° | 109.5° |
| CAO | OAC | HOAC | 109.5° | 114.0° |
| OAC | CAO | HAO | 110.4° | 109.5° |
| OAD | CAP | CAL | 111.5° | 109.6° |
| OAD | CAP | CAR | 109.4° | 109.6° |
| CAP | OAD | HOAD | 109.5° | 114.0° |
| OAD | CAP | HAP | 106.5° | 109.6° |
| OAE | CAQ | CAM | 111.0° | 109.4° |
| OAE | CAQ | CAT | 113.7° | 109.5° |
| CAQ | OAE | HOAE | 109.5° | 114.0° |
| OAE | CAQ | HAQ | 105.0° | 109.5° |
| OAF | CAR | CAP | 106.9° | 108.9° |
| OAF | CAR | CAS | 110.5° | 108.9° |
| CAR | OAF | HOAF | 109.5° | 113.9° |
| OAF | CAR | HAR | 108.8° | 108.9° |
| OAG | SAV | OAH | 108.8° | 112.0° |
| OAG | SAV | OAI | 109.8° | 112.0° |
| OAG | SAV | OAN | 110.9° | 106.7° |
| OAH | SAV | OAI | 112.0° | 112.1° |
| OAH | SAV | OAN | 110.8° | 106.8° |
| OAI | SAV | OAN | 104.4° | 106.8° |
| CAJ | CAO | CAT | 110.7° | 109.5° |
| CAO | CAJ | HAJ | 109.9° | 109.4° |
| CAO | CAJ | HAJA | 109.9° | 109.4° |
| CAJ | CAO | HAO | 108.0° | 109.5° |
| CAK | CAS | CAR | 115.0° | 110.3° |
| CAK | CAS | SAU | 114.5° | 110.4° |
| CAS | CAK | HAK | 109.4° | 109.4° |
| CAS | CAK | HAKA | 109.4° | 109.4° |
| CAK | CAS | HAS | 100.0° | 110.3° |
| CAP | CAL | SAU | 100.1° | 100.9° |
| CAL | CAP | CAR | 103.8° | 109.0° |
| CAP | CAL | HAL | 112.7° | 111.1° |
| CAP | CAL | HALA | 112.7° | 111.1° |
| CAL | CAP | HAP | 111.8° | 109.6° |
| CAL | SAU | CAM | 108.8° | 103.0° |
| CAL | SAU | CAS | 97.4° | 95.8° |
| SAU | CAL | HAL | 112.7° | 111.1° |
| SAU | CAL | HALA | 112.7° | 111.1° |
| CAQ | CAM | SAU | 112.1° | 109.5° |
| CAM | CAQ | CAT | 108.1° | 109.5° |
| CAQ | CAM | HAM | 108.6° | 109.5° |
| CAQ | CAM | HAMA | 108.6° | 109.4° |
| CAM | CAQ | HAQ | 110.9° | 109.5° |
| CAM | SAU | CAS | 102.2° | 103.0° |
| SAU | CAM | HAM | 108.6° | 109.5° |
| SAU | CAM | HAMA | 108.6° | 109.5° |
| CAT | OAN | SAV | 119.4° | 114.0° |
| OAN | CAT | CAO | 110.6° | 109.5° |
| OAN | CAT | CAQ | 111.2° | 109.5° |
| OAN | CAT | HAT | 108.4° | 109.5° |
| CAO | CAT | CAQ | 112.0° | 109.4° |
| CAT | CAO | HAO | 109.7° | 109.5° |
| CAO | CAT | HAT | 107.5° | 109.5° |
| CAP | CAR | CAS | 103.9° | 112.5° |
| CAR | CAP | HAP | 113.9° | 109.4° |
| CAP | CAR | HAR | 114.9° | 108.9° |
| CAT | CAQ | HAQ | 108.1° | 109.5° |
| CAQ | CAT | HAT | 107.0° | 109.5° |
| CAR | CAS | SAU | 102.6° | 105.0° |
| CAS | CAR | HAR | 111.6° | 108.8° |
| CAR | CAS | HAS | 112.4° | 110.3° |
| SAU | CAS | HAS | 112.9° | 110.4° |
| HAJ | CAJ | HAJA | 109.0° | 109.4° |
| HAK | CAK | HAKA | 109.6° | 109.5° |
| HAL | CAL | HALA | 106.0° | 111.0° |
| HAM | CAM | HAMA | 110.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAJ | CAO | OAC | 70.1° | 65.0° |
| OAA | CAJ | CAO | HAJ | 120.0° | 120.0° |
| OAA | CAJ | CAO | HAJA | 120.0° | 120.1° |
| OAA | CAJ | CAO | CAT | 170.4° | 175.0° |
| OAA | CAJ | HAJ | HAJA | 120.5° | 120.1° |
| OAA | CAJ | CAO | HAO | 50.4° | 54.9° |
| OAB | CAK | CAS | HAK | 120.0° | 120.0° |
| OAB | CAK | CAS | HAKA | 120.0° | 120.0° |
| OAB | CAK | CAS | CAR | 57.6° | 56.5° |
| OAB | CAK | CAS | SAU | 60.8° | 172.0° |
| OAB | CAK | HAK | HAKA | 119.8° | 120.0° |
| OAB | CAK | CAS | HAS | 178.2° | 65.7° |
| OAC | CAO | CAJ | CAT | 119.5° | 120.0° |
| OAC | CAO | CAJ | HAO | 120.4° | 120.0° |
| OAC | CAO | CAT | OAN | 48.9° | 65.0° |
| OAC | CAO | CAT | HAO | 120.5° | 120.0° |
| OAC | CAO | CAT | CAQ | 173.5° | 55.0° |
| OAC | CAO | CAJ | HAJ | 169.9° | 174.9° |
| OAC | CAO | CAJ | HAJA | 49.9° | 55.0° |
| OAC | CAO | CAT | HAT | 69.3° | 175.0° |
| OAD | CAP | CAR | OAF | 63.5° | 149.4° |
| OAD | CAP | CAL | CAR | 117.6° | 119.9° |
| OAD | CAP | CAL | HAP | 119.2° | 120.3° |
| OAD | CAP | CAL | SAU | 167.1° | 78.5° |
| OAD | CAP | CAR | HAP | 119.0° | 120.2° |
| OAD | CAP | CAR | CAS | 179.5° | 89.9° |
| OAD | CAP | CAL | HAL | 47.1° | 39.4° |
| OAD | CAP | CAL | HALA | 72.9° | 163.6° |
| OAD | CAP | CAR | HAR | 57.3° | 30.8° |
| OAE | CAQ | CAM | CAT | 125.3° | 120.0° |
| OAE | CAQ | CAM | HAQ | 116.4° | 120.0° |
| OAE | CAQ | CAM | SAU | 81.3° | 65.5° |
| OAE | CAQ | CAT | OAN | 76.7° | 60.4° |
| OAE | CAQ | CAT | CAO | 47.7° | 59.6° |
| OAE | CAQ | CAT | HAQ | 116.2° | 120.0° |
| OAE | CAQ | CAM | HAM | 158.7° | 174.6° |
| OAE | CAQ | CAM | HAMA | 38.7° | 54.6° |
| OAE | CAQ | CAT | HAT | 165.2° | 179.6° |
| OAF | CAR | CAS | CAK | 81.1° | 123.1° |
| OAF | CAR | CAP | CAL | 177.3° | 90.7° |
| OAF | CAR | CAP | CAS | 116.9° | 120.7° |
| OAF | CAR | CAP | HAR | 120.9° | 118.5° |
| OAF | CAR | CAS | HAR | 121.2° | 118.5° |
| OAF | CAR | CAS | SAU | 154.0° | 118.0° |
| OAF | CAR | CAP | HAP | 55.5° | 29.2° |
| OAF | CAR | CAS | HAS | 32.5° | 1.0° |
| OAG | SAV | OAH | OAI | 121.5° | 126.9° |
| OAG | SAV | OAH | OAN | 122.2° | 116.5° |
| OAG | SAV | OAI | OAN | 119.0° | 116.5° |
| OAG | SAV | OAN | CAT | 86.8° | 166.2° |
| OAH | SAV | OAI | OAN | 120.0° | 116.6° |
| OAH | SAV | OAN | CAT | 34.2° | 73.9° |
| OAI | SAV | OAN | CAT | 155.0° | 46.2° |
| CAJ | CAO | CAT | OAN | 169.4° | 55.0° |
| CAJ | CAO | CAT | HAO | 119.0° | 120.0° |
| CAJ | CAO | CAT | CAQ | 66.0° | 175.0° |
| CAO | CAJ | OAA | HOAA | 180.0° | 180.0° |
| CAJ | CAO | OAC | HOAC | 108.5° | 60.0° |
| CAO | CAJ | HAJ | HAJA | 120.5° | 119.9° |
| CAJ | CAO | CAT | HAT | 51.2° | 65.0° |
| CAK | CAS | SAU | CAL | 134.9° | 138.6° |
| CAK | CAS | SAU | CAM | 114.0° | 116.6° |
| CAK | CAS | CAR | CAP | 164.5° | 116.1° |
| CAK | CAS | CAR | SAU | 124.9° | 118.9° |
| CAK | CAS | CAR | HAS | 113.5° | 122.1° |
| CAK | CAS | SAU | HAS | 113.5° | 122.2° |
| CAS | CAK | OAB | HOAB | 180.0° | 179.9° |
| CAS | CAK | HAK | HAKA | 119.9° | 119.9° |
| CAK | CAS | CAR | HAR | 40.2° | 4.6° |
| CAP | CAL | SAU | HAL | 120.0° | 117.9° |
| CAP | CAL | SAU | HALA | 120.0° | 117.9° |
| CAP | CAL | SAU | CAM | 82.5° | 140.1° |
| CAL | CAP | CAR | HAP | 121.8° | 119.9° |
| CAL | CAP | CAR | CAS | 60.4° | 30.1° |
| CAP | CAL | SAU | CAS | 23.1° | 35.4° |
| CAL | CAP | OAD | HOAD | 180.0° | 61.4° |
| CAP | CAL | HAL | HALA | 123.7° | 124.3° |
| CAL | CAP | CAR | HAR | 61.8° | 150.8° |
| CAL | SAU | CAM | CAQ | 99.4° | 73.2° |
| CAL | SAU | CAM | CAS | 102.3° | 99.2° |
| SAU | CAL | CAP | CAR | 49.5° | 41.4° |
| CAL | SAU | CAS | CAR | 9.6° | 19.8° |
| SAU | CAL | HAL | HALA | 123.8° | 124.2° |
| CAL | SAU | CAM | HAM | 140.6° | 166.9° |
| CAL | SAU | CAM | HAMA | 20.6° | 46.8° |
| SAU | CAL | CAP | HAP | 73.7° | 161.2° |
| CAL | SAU | CAS | HAS | 111.6° | 99.2° |
| CAQ | CAM | SAU | HAM | 120.0° | 120.0° |
| CAQ | CAM | SAU | HAMA | 120.0° | 120.0° |
| CAM | CAQ | CAT | OAN | 47.1° | 59.6° |
| CAM | CAQ | CAT | CAO | 171.4° | 179.6° |
| CAM | CAQ | CAT | HAQ | 120.1° | 120.0° |
| CAQ | CAM | SAU | CAS | 158.3° | 172.4° |
| CAM | CAQ | OAE | HOAE | 180.0° | 60.0° |
| CAQ | CAM | HAM | HAMA | 118.9° | 119.9° |
| CAM | CAQ | CAT | HAT | 71.0° | 60.4° |
| SAU | CAM | CAQ | CAT | 153.4° | 174.5° |
| CAM | SAU | CAS | CAR | 120.8° | 124.6° |
| CAM | SAU | CAL | HAL | 157.5° | 101.9° |
| CAM | SAU | CAL | HALA | 37.4° | 22.2° |
| SAU | CAM | HAM | HAMA | 118.9° | 120.1° |
| SAU | CAM | CAQ | HAQ | 35.1° | 54.5° |
| CAM | SAU | CAS | HAS | 0.5° | 5.6° |
| OAN | CAT | CAO | CAQ | 124.6° | 120.0° |
| OAN | CAT | CAO | HAT | 118.2° | 120.0° |
| OAN | CAT | CAQ | HAT | 118.1° | 120.0° |
| OAN | CAT | CAO | HAO | 71.6° | 175.0° |
| OAN | CAT | CAQ | HAQ | 167.2° | 179.6° |
| SAV | OAN | CAT | CAO | 110.8° | 120.9° |
| SAV | OAN | CAT | CAQ | 124.1° | 119.1° |
| SAV | OAN | CAT | HAT | 6.8° | 0.9° |
| CAO | CAT | CAQ | HAT | 117.6° | 120.0° |
| CAT | CAO | OAC | HOAC | 12.5° | 60.0° |
| CAT | CAO | CAJ | HAJ | 50.4° | 55.0° |
| CAT | CAO | CAJ | HAJA | 69.6° | 64.9° |
| CAO | CAT | CAQ | HAQ | 68.5° | 60.4° |
| CAP | CAR | CAS | HAR | 124.4° | 120.7° |
| CAP | CAR | CAS | SAU | 39.6° | 2.8° |
| CAR | CAP | OAD | HOAD | 65.8° | 179.0° |
| CAP | CAR | OAF | HOAF | 180.0° | 61.5° |
| CAR | CAP | CAL | HAL | 70.5° | 159.3° |
| CAR | CAP | CAL | HALA | 169.5° | 76.5° |
| CAP | CAR | CAS | HAS | 82.0° | 121.8° |
| CAT | CAQ | OAE | HOAE | 57.9° | 60.0° |
| CAT | CAQ | CAM | HAM | 33.4° | 54.5° |
| CAT | CAQ | CAM | HAMA | 86.6° | 65.4° |
| CAQ | CAT | CAO | HAO | 53.0° | 65.0° |
| CAR | CAS | SAU | HAS | 121.2° | 118.9° |
| CAS | CAR | OAF | HOAF | 67.5° | 175.6° |
| CAR | CAS | CAK | HAK | 62.4° | 176.5° |
| CAR | CAS | CAK | HAKA | 177.6° | 63.6° |
| CAS | CAR | CAP | HAP | 61.4° | 150.0° |
| SAU | CAS | CAK | HAK | 179.2° | 68.0° |
| SAU | CAS | CAK | HAKA | 59.2° | 52.0° |
| CAS | SAU | CAL | HAL | 96.9° | 153.3° |
| CAS | SAU | CAL | HALA | 143.1° | 82.6° |
| CAS | SAU | CAM | HAM | 38.3° | 67.7° |
| CAS | SAU | CAM | HAMA | 81.7° | 52.4° |
| SAU | CAS | CAR | HAR | 84.8° | 123.5° |
| HOAA | OAA | CAJ | HAJ | 60.0° | 60.0° |
| HOAA | OAA | CAJ | HAJA | 59.9° | 60.0° |
| HOAB | OAB | CAK | HAK | 59.9° | 60.0° |
| HOAB | OAB | CAK | HAKA | 60.0° | 60.0° |
| HOAC | OAC | CAO | HAO | 132.6° | 179.9° |
| HOAD | OAD | CAP | HAP | 57.7° | 58.9° |
| HOAE | OAE | CAQ | HAQ | 60.1° | 180.0° |
| HOAF | OAF | CAR | HAR | 55.4° | 57.1° |
| HAJ | CAJ | CAO | HAO | 69.6° | 65.1° |
| HAJA | CAJ | CAO | HAO | 170.4° | 175.0° |
| HAK | CAK | CAS | HAS | 58.2° | 54.3° |
| HAKA | CAK | CAS | HAS | 61.8° | 174.3° |
| HAL | CAL | CAP | HAP | 166.3° | 80.9° |
| HALA | CAL | CAP | HAP | 46.3° | 43.3° |
| HAM | CAM | CAQ | HAQ | 85.0° | 65.5° |
| HAMA | CAM | CAQ | HAQ | 155.0° | 174.5° |
| HAO | CAO | CAT | HAT | 170.2° | 55.0° |
| HAP | CAP | CAR | HAR | 176.4° | 89.3° |
| HAQ | CAQ | CAT | HAT | 49.1° | 59.6° |
| HAR | CAR | CAS | HAS | 153.7° | 117.5° |
