DSK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAJ | sing | 1.43Å | 1.42Å | |
| OAB | CAK | sing | 1.43Å | 1.43Å | |
| OAC | CAN | sing | 1.43Å | 1.44Å | |
| OAD | CAO | sing | 1.43Å | 1.42Å | |
| OAE | CAP | sing | 1.43Å | 1.46Å | |
| OAF | CAQ | sing | 1.43Å | 1.43Å | |
| OAG | CAR | sing | 1.43Å | 1.44Å | |
| OAH | CAS | sing | 1.43Å | 1.43Å | |
| OAI | CAT | sing | 1.43Å | 1.43Å | |
| CAJ | CAN | sing | 1.53Å | 1.53Å | |
| CAK | CAU | sing | 1.53Å | 1.55Å | |
| CAL | CAO | sing | 1.53Å | 1.56Å | |
| CAL | SAV | sing | 1.81Å | 1.81Å | |
| CAM | CAP | sing | 1.55Å | 1.54Å | |
| CAM | SAV | sing | 1.84Å | 1.84Å | |
| CAN | CAQ | sing | 1.53Å | 1.54Å | |
| CAO | CAR | sing | 1.53Å | 1.53Å | |
| CAP | CAT | sing | 1.53Å | 1.55Å | |
| CAQ | CAS | sing | 1.53Å | 1.53Å | |
| CAR | CAS | sing | 1.53Å | 1.55Å | |
| CAT | CAU | sing | 1.54Å | 1.56Å | |
| CAU | SAV | sing | 1.83Å | 1.83Å | |
| 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 | |
| OAG | HOAG | sing | 0.97Å | 0.95Å | |
| OAH | HOAH | sing | 0.97Å | 0.95Å | |
| OAI | HOAI | 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 | |
| CAN | HAN | 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 | |
| CAU | HAU | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAJ | CAN | 108.2° | 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 | CAU | 113.9° | 109.5° |
| CAK | OAB | HOAB | 109.5° | 114.0° |
| OAB | CAK | HAK | 108.0° | 109.5° |
| OAB | CAK | HAKA | 108.0° | 109.5° |
| OAC | CAN | CAJ | 110.1° | 109.5° |
| OAC | CAN | CAQ | 108.9° | 109.4° |
| CAN | OAC | HOAC | 109.5° | 114.0° |
| OAC | CAN | HAN | 109.5° | 109.4° |
| OAD | CAO | CAL | 111.2° | 109.5° |
| OAD | CAO | CAR | 109.0° | 109.5° |
| CAO | OAD | HOAD | 109.5° | 114.0° |
| OAD | CAO | HAO | 109.9° | 109.5° |
| OAE | CAP | CAM | 112.6° | 109.6° |
| OAE | CAP | CAT | 109.3° | 109.6° |
| CAP | OAE | HOAE | 109.5° | 114.0° |
| OAE | CAP | HAP | 105.8° | 109.6° |
| OAF | CAQ | CAN | 108.3° | 109.4° |
| OAF | CAQ | CAS | 108.0° | 109.5° |
| CAQ | OAF | HOAF | 109.5° | 114.1° |
| OAF | CAQ | HAQ | 111.7° | 109.5° |
| OAG | CAR | CAO | 105.7° | 109.5° |
| OAG | CAR | CAS | 106.2° | 109.5° |
| CAR | OAG | HOAG | 109.5° | 113.9° |
| OAG | CAR | HAR | 114.3° | 109.4° |
| OAH | CAS | CAQ | 108.9° | 109.5° |
| OAH | CAS | CAR | 110.2° | 109.4° |
| CAS | OAH | HOAH | 109.5° | 114.0° |
| OAH | CAS | HAS | 110.4° | 109.5° |
| OAI | CAT | CAP | 106.8° | 108.9° |
| OAI | CAT | CAU | 110.4° | 108.9° |
| CAT | OAI | HOAI | 109.5° | 114.0° |
| OAI | CAT | HAT | 109.2° | 108.9° |
| CAJ | CAN | CAQ | 109.7° | 109.5° |
| CAN | CAJ | HAJ | 109.9° | 109.5° |
| CAN | CAJ | HAJA | 109.9° | 109.5° |
| CAJ | CAN | HAN | 108.7° | 109.5° |
| CAK | CAU | CAT | 115.3° | 110.3° |
| CAK | CAU | SAV | 115.2° | 110.4° |
| CAU | CAK | HAK | 108.0° | 109.4° |
| CAU | CAK | HAKA | 108.0° | 109.5° |
| CAK | CAU | HAU | 99.2° | 110.3° |
| CAO | CAL | SAV | 111.5° | 109.5° |
| CAL | CAO | CAR | 113.0° | 109.5° |
| CAO | CAL | HAL | 108.8° | 109.4° |
| CAO | CAL | HALA | 108.8° | 109.5° |
| CAL | CAO | HAO | 105.7° | 109.5° |
| CAL | SAV | CAM | 111.4° | 103.0° |
| CAL | SAV | CAU | 102.8° | 103.0° |
| SAV | CAL | HAL | 108.8° | 109.5° |
| SAV | CAL | HALA | 108.8° | 109.5° |
| CAP | CAM | SAV | 101.0° | 100.9° |
| CAM | CAP | CAT | 103.4° | 108.9° |
| CAP | CAM | HAM | 112.4° | 111.1° |
| CAP | CAM | HAMA | 112.4° | 111.1° |
| CAM | CAP | HAP | 111.4° | 109.6° |
| CAM | SAV | CAU | 96.8° | 95.8° |
| SAV | CAM | HAM | 112.4° | 111.1° |
| SAV | CAM | HAMA | 112.4° | 111.2° |
| CAN | CAQ | CAS | 110.9° | 109.5° |
| CAQ | CAN | HAN | 109.9° | 109.5° |
| CAN | CAQ | HAQ | 108.8° | 109.4° |
| CAO | CAR | CAS | 110.8° | 109.5° |
| CAR | CAO | HAO | 107.9° | 109.4° |
| CAO | CAR | HAR | 110.1° | 109.5° |
| CAP | CAT | CAU | 105.0° | 112.5° |
| CAT | CAP | HAP | 114.6° | 109.5° |
| CAP | CAT | HAT | 114.3° | 108.9° |
| CAQ | CAS | CAR | 112.3° | 109.5° |
| CAS | CAQ | HAQ | 109.2° | 109.5° |
| CAQ | CAS | HAS | 108.2° | 109.5° |
| CAS | CAR | HAR | 109.6° | 109.5° |
| CAR | CAS | HAS | 106.8° | 109.5° |
| CAT | CAU | SAV | 102.8° | 105.0° |
| CAU | CAT | HAT | 110.9° | 108.8° |
| CAT | CAU | HAU | 112.4° | 110.3° |
| SAV | CAU | HAU | 112.5° | 110.5° |
| HAJ | CAJ | HAJA | 109.0° | 109.5° |
| HAK | CAK | HAKA | 110.9° | 109.4° |
| HAL | CAL | HALA | 110.1° | 109.4° |
| HAM | CAM | HAMA | 106.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAJ | CAN | OAC | 76.8° | 65.0° |
| OAA | CAJ | CAN | HAJ | 120.0° | 120.0° |
| OAA | CAJ | CAN | HAJA | 120.0° | 120.0° |
| OAA | CAJ | CAN | CAQ | 163.3° | 175.0° |
| OAA | CAJ | HAJ | HAJA | 120.6° | 120.0° |
| OAA | CAJ | CAN | HAN | 43.1° | 55.0° |
| OAB | CAK | CAU | HAK | 120.0° | 120.0° |
| OAB | CAK | CAU | HAKA | 120.0° | 120.0° |
| OAB | CAK | CAU | CAT | 46.9° | 56.4° |
| OAB | CAK | CAU | SAV | 72.6° | 172.0° |
| OAB | CAK | HAK | HAKA | 118.2° | 120.0° |
| OAB | CAK | CAU | HAU | 167.1° | 65.7° |
| OAC | CAN | CAQ | OAF | 51.9° | 65.0° |
| OAC | CAN | CAJ | CAQ | 119.9° | 120.0° |
| OAC | CAN | CAJ | HAN | 119.9° | 120.0° |
| OAC | CAN | CAQ | HAN | 119.9° | 119.9° |
| OAC | CAN | CAQ | CAS | 66.4° | 55.0° |
| OAC | CAN | CAJ | HAJ | 163.2° | 175.0° |
| OAC | CAN | CAJ | HAJA | 43.2° | 55.0° |
| OAC | CAN | CAQ | HAQ | 173.5° | 175.0° |
| OAD | CAO | CAR | OAG | 170.0° | 180.0° |
| OAD | CAO | CAL | CAR | 123.0° | 120.0° |
| OAD | CAO | CAL | HAO | 119.2° | 120.0° |
| OAD | CAO | CAL | SAV | 66.0° | 65.0° |
| OAD | CAO | CAR | HAO | 119.4° | 120.0° |
| OAD | CAO | CAR | CAS | 55.3° | 59.9° |
| OAD | CAO | CAL | HAL | 174.0° | 175.0° |
| OAD | CAO | CAL | HALA | 54.0° | 55.0° |
| OAD | CAO | CAR | HAR | 66.1° | 60.1° |
| OAE | CAP | CAT | OAI | 63.5° | 149.4° |
| OAE | CAP | CAM | CAT | 117.8° | 119.9° |
| OAE | CAP | CAM | HAP | 118.7° | 120.3° |
| OAE | CAP | CAM | SAV | 166.9° | 78.5° |
| OAE | CAP | CAT | HAP | 118.5° | 120.2° |
| OAE | CAP | CAT | CAU | 179.1° | 89.8° |
| OAE | CAP | CAM | HAM | 46.9° | 39.4° |
| OAE | CAP | CAM | HAMA | 73.1° | 163.6° |
| OAE | CAP | CAT | HAT | 57.4° | 30.8° |
| OAF | CAQ | CAS | OAH | 178.3° | 180.0° |
| OAF | CAQ | CAN | CAJ | 68.6° | 55.0° |
| OAF | CAQ | CAN | CAS | 118.3° | 120.0° |
| OAF | CAQ | CAN | HAQ | 121.6° | 120.0° |
| OAF | CAQ | CAS | HAQ | 121.6° | 120.1° |
| OAF | CAQ | CAS | CAR | 56.0° | 60.1° |
| OAF | CAQ | CAN | HAN | 171.9° | 175.1° |
| OAF | CAQ | CAS | HAS | 61.6° | 60.0° |
| OAG | CAR | CAS | OAH | 61.6° | 65.0° |
| OAG | CAR | CAO | CAL | 65.9° | 60.0° |
| OAG | CAR | CAO | CAS | 114.7° | 120.1° |
| OAG | CAR | CAO | HAR | 124.0° | 119.9° |
| OAG | CAR | CAS | CAQ | 59.9° | 54.9° |
| OAG | CAR | CAS | HAR | 124.0° | 119.9° |
| OAG | CAR | CAO | HAO | 50.6° | 60.0° |
| OAG | CAR | CAS | HAS | 178.4° | 175.0° |
| OAH | CAS | CAQ | CAN | 63.2° | 60.0° |
| OAH | CAS | CAR | CAO | 52.7° | 55.0° |
| OAH | CAS | CAQ | CAR | 122.3° | 119.9° |
| OAH | CAS | CAQ | HAS | 120.0° | 120.0° |
| OAH | CAS | CAR | HAS | 120.0° | 120.0° |
| OAH | CAS | CAQ | HAQ | 56.8° | 59.9° |
| OAH | CAS | CAR | HAR | 174.4° | 175.1° |
| OAI | CAT | CAU | CAK | 80.5° | 123.2° |
| OAI | CAT | CAP | CAM | 176.4° | 90.7° |
| OAI | CAT | CAP | CAU | 117.3° | 120.8° |
| OAI | CAT | CAP | HAT | 120.9° | 118.6° |
| OAI | CAT | CAU | HAT | 121.2° | 118.5° |
| OAI | CAT | CAU | SAV | 153.3° | 117.9° |
| OAI | CAT | CAP | HAP | 54.9° | 29.2° |
| OAI | CAT | CAU | HAU | 32.2° | 1.0° |
| CAJ | CAN | CAQ | HAN | 119.5° | 120.0° |
| CAJ | CAN | CAQ | CAS | 173.1° | 175.0° |
| CAN | CAJ | OAA | HOAA | 180.0° | 180.0° |
| CAJ | CAN | OAC | HOAC | 180.0° | 60.0° |
| CAN | CAJ | HAJ | HAJA | 120.5° | 120.0° |
| CAJ | CAN | CAQ | HAQ | 53.0° | 65.0° |
| CAK | CAU | SAV | CAL | 111.6° | 116.6° |
| CAK | CAU | SAV | CAM | 134.6° | 138.6° |
| CAK | CAU | CAT | CAP | 164.6° | 116.1° |
| CAK | CAU | CAT | SAV | 126.1° | 118.9° |
| CAK | CAU | CAT | HAU | 112.7° | 122.1° |
| CAK | CAU | SAV | HAU | 112.7° | 122.2° |
| CAU | CAK | OAB | HOAB | 180.0° | 180.0° |
| CAU | CAK | HAK | HAKA | 118.2° | 120.0° |
| CAK | CAU | CAT | HAT | 40.7° | 4.6° |
| CAO | CAL | SAV | HAL | 120.0° | 120.0° |
| CAO | CAL | SAV | HALA | 120.0° | 120.1° |
| CAO | CAL | SAV | CAM | 87.6° | 73.2° |
| CAL | CAO | CAR | HAO | 116.5° | 120.0° |
| CAL | CAO | CAR | CAS | 179.5° | 180.0° |
| CAO | CAL | SAV | CAU | 169.7° | 172.4° |
| CAL | CAO | OAD | HOAD | 180.0° | 60.0° |
| CAO | CAL | HAL | HALA | 119.1° | 120.0° |
| CAL | CAO | CAR | HAR | 58.1° | 60.0° |
| CAL | SAV | CAM | CAP | 83.0° | 140.1° |
| CAL | SAV | CAM | CAU | 106.7° | 104.8° |
| SAV | CAL | CAO | CAR | 171.0° | 175.0° |
| CAL | SAV | CAU | CAT | 122.2° | 124.5° |
| SAV | CAL | HAL | HALA | 119.2° | 120.0° |
| CAL | SAV | CAM | HAM | 157.0° | 102.0° |
| CAL | SAV | CAM | HAMA | 37.0° | 22.2° |
| SAV | CAL | CAO | HAO | 53.2° | 55.0° |
| CAL | SAV | CAU | HAU | 1.2° | 5.6° |
| CAP | CAM | SAV | HAM | 120.0° | 117.9° |
| CAP | CAM | SAV | HAMA | 120.0° | 117.9° |
| CAM | CAP | CAT | HAP | 121.4° | 119.9° |
| CAM | CAP | CAT | CAU | 59.1° | 30.1° |
| CAP | CAM | SAV | CAU | 23.6° | 35.4° |
| CAM | CAP | OAE | HOAE | 180.0° | 61.4° |
| CAP | CAM | HAM | HAMA | 123.4° | 124.2° |
| CAM | CAP | CAT | HAT | 62.7° | 150.7° |
| SAV | CAM | CAP | CAT | 49.1° | 41.5° |
| CAM | SAV | CAU | CAT | 8.4° | 19.7° |
| CAM | SAV | CAL | HAL | 152.4° | 166.9° |
| CAM | SAV | CAL | HALA | 32.4° | 46.9° |
| SAV | CAM | HAM | HAMA | 123.4° | 124.3° |
| SAV | CAM | CAP | HAP | 74.5° | 161.2° |
| CAM | SAV | CAU | HAU | 112.7° | 99.1° |
| CAN | CAQ | CAS | HAQ | 119.9° | 120.0° |
| CAN | CAQ | CAS | CAR | 174.5° | 180.0° |
| CAQ | CAN | OAC | HOAC | 59.6° | 60.0° |
| CAN | CAQ | OAF | HOAF | 180.0° | 60.0° |
| CAQ | CAN | CAJ | HAJ | 43.3° | 55.0° |
| CAQ | CAN | CAJ | HAJA | 76.7° | 65.0° |
| CAN | CAQ | CAS | HAS | 56.9° | 60.0° |
| CAO | CAR | CAS | CAQ | 174.3° | 175.0° |
| CAO | CAR | CAS | HAR | 121.6° | 120.0° |
| CAR | CAO | OAD | HOAD | 54.7° | 60.1° |
| CAO | CAR | OAG | HOAG | 180.0° | 60.0° |
| CAR | CAO | CAL | HAL | 51.0° | 55.0° |
| CAR | CAO | CAL | HALA | 69.0° | 65.0° |
| CAO | CAR | CAS | HAS | 67.2° | 65.0° |
| CAP | CAT | CAU | HAT | 124.0° | 120.7° |
| CAP | CAT | CAU | SAV | 38.5° | 2.8° |
| CAT | CAP | OAE | HOAE | 65.7° | 179.1° |
| CAP | CAT | OAI | HOAI | 180.0° | 61.5° |
| CAT | CAP | CAM | HAM | 70.9° | 159.4° |
| CAT | CAP | CAM | HAMA | 169.1° | 76.5° |
| CAP | CAT | CAU | HAU | 82.7° | 121.8° |
| CAQ | CAS | CAR | HAS | 118.5° | 120.0° |
| CAS | CAQ | OAF | HOAF | 59.9° | 60.0° |
| CAQ | CAS | OAH | HOAH | 180.0° | 59.9° |
| CAS | CAQ | CAN | HAN | 53.6° | 65.0° |
| CAQ | CAS | CAR | HAR | 64.1° | 65.0° |
| CAS | CAR | OAG | HOAG | 62.2° | 60.0° |
| CAR | CAS | OAH | HOAH | 56.5° | 60.0° |
| CAS | CAR | CAO | HAO | 64.1° | 60.0° |
| CAR | CAS | CAQ | HAQ | 65.6° | 60.0° |
| CAT | CAU | SAV | HAU | 121.1° | 118.9° |
| CAU | CAT | OAI | HOAI | 66.3° | 175.6° |
| CAT | CAU | CAK | HAK | 73.0° | 176.4° |
| CAT | CAU | CAK | HAKA | 166.9° | 63.6° |
| CAU | CAT | CAP | HAP | 62.4° | 150.0° |
| SAV | CAU | CAK | HAK | 167.4° | 68.0° |
| SAV | CAU | CAK | HAKA | 47.4° | 51.9° |
| CAU | SAV | CAL | HAL | 49.7° | 67.7° |
| CAU | SAV | CAL | HALA | 70.2° | 52.3° |
| CAU | SAV | CAM | HAM | 96.3° | 153.2° |
| CAU | SAV | CAM | HAMA | 143.7° | 82.6° |
| SAV | CAU | CAT | HAT | 85.4° | 123.5° |
| HOAA | OAA | CAJ | HAJ | 60.0° | 59.9° |
| HOAA | OAA | CAJ | HAJA | 60.0° | 60.0° |
| HOAB | OAB | CAK | HAK | 60.0° | 60.0° |
| HOAB | OAB | CAK | HAKA | 60.0° | 60.0° |
| HOAC | OAC | CAN | HAN | 60.6° | 180.0° |
| HOAD | OAD | CAO | HAO | 63.4° | 180.0° |
| HOAE | OAE | CAP | HAP | 58.1° | 58.9° |
| HOAF | OAF | CAQ | HAQ | 60.2° | 179.9° |
| HOAG | OAG | CAR | HAR | 58.8° | 180.0° |
| HOAH | OAH | CAS | HAS | 61.3° | 180.0° |
| HOAI | OAI | CAT | HAT | 55.9° | 57.1° |
| HAJ | CAJ | CAN | HAN | 76.9° | 65.0° |
| HAJA | CAJ | CAN | HAN | 163.1° | 174.9° |
| HAK | CAK | CAU | HAU | 47.1° | 54.3° |
| HAKA | CAK | CAU | HAU | 72.9° | 174.3° |
| HAL | CAL | CAO | HAO | 66.8° | 65.0° |
| HALA | CAL | CAO | HAO | 173.2° | 175.1° |
| HAM | CAM | CAP | HAP | 165.5° | 80.9° |
| HAMA | CAM | CAP | HAP | 45.5° | 43.2° |
| HAN | CAN | CAQ | HAQ | 66.5° | 55.1° |
| HAO | CAO | CAR | HAR | 174.6° | 180.0° |
| HAP | CAP | CAT | HAT | 175.8° | 89.4° |
| HAQ | CAQ | CAS | HAS | 176.8° | 180.0° |
| HAR | CAR | CAS | HAS | 54.4° | 55.0° |
| HAT | CAT | CAU | HAU | 153.4° | 117.5° |
