SDT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAD | CAP | doub | 1.21Å | 1.24Å | |
| CAP | CAI | sing | 1.52Å | 1.53Å | |
| CAP | CAW | sing | 1.50Å | 1.51Å | |
| CAI | CAL | sing | 1.55Å | 1.53Å | |
| CAL | CAV | sing | 1.54Å | 1.53Å | |
| CAV | CAW | sing | 1.56Å | 1.56Å | |
| CAV | CAU | sing | 1.52Å | 1.54Å | |
| CAW | CAB | sing | 1.53Å | 1.54Å | |
| CAW | CAN | sing | 1.52Å | 1.54Å | |
| CAN | CAJ | sing | 1.54Å | 1.55Å | |
| CAJ | CAO | sing | 1.51Å | 1.55Å | |
| CAU | CAO | sing | 1.52Å | 1.53Å | |
| CAU | CAM | sing | 1.53Å | 1.53Å | |
| CAO | OAC | doub | 1.21Å | 1.24Å | |
| CAM | CAK | sing | 1.53Å | 1.52Å | |
| CAK | CAT | sing | 1.51Å | 1.52Å | |
| CAT | CAS | doub | 1.39Å | 1.41Å | Aromatic |
| CAT | CAQ | sing | 1.38Å | 1.41Å | Aromatic |
| CAS | OAF | sing | 1.36Å | 1.38Å | |
| CAS | CAR | sing | 1.39Å | 1.42Å | Aromatic |
| CAR | OAE | sing | 1.36Å | 1.37Å | |
| CAR | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | CAQ | doub | 1.38Å | 1.38Å | Aromatic |
| CAQ | CAA | sing | 1.51Å | 1.50Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAI | HAIA | sing | 1.09Å | 1.10Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HALA | sing | 1.09Å | 1.10Å | |
| CAV | HAV | sing | 1.09Å | 1.10Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å | |
| CAU | HAU | sing | 1.09Å | 1.10Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAMA | sing | 1.09Å | 1.10Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å | |
| OAF | HOAF | sing | 0.97Å | 0.95Å | |
| OAE | HOAE | sing | 0.97Å | 0.95Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAD | CAP | CAI | 124.7° | 126.9° |
| OAD | CAP | CAW | 124.2° | 127.0° |
| CAI | CAP | CAW | 111.0° | 106.1° |
| CAP | CAI | CAL | 104.4° | 106.7° |
| CAP | CAI | HAI | 111.2° | 110.1° |
| CAP | CAI | HAIA | 112.3° | 110.1° |
| CAP | CAW | CAV | 95.5° | 103.6° |
| CAP | CAW | CAB | 107.8° | 109.7° |
| CAP | CAW | CAN | 114.6° | 116.0° |
| CAI | CAL | CAV | 102.3° | 102.7° |
| CAL | CAI | HAI | 111.2° | 110.0° |
| CAL | CAI | HAIA | 112.3° | 110.0° |
| CAI | CAL | HAL | 111.9° | 110.8° |
| CAI | CAL | HALA | 113.4° | 110.8° |
| CAL | CAV | CAW | 106.7° | 101.1° |
| CAL | CAV | CAU | 120.6° | 114.6° |
| CAV | CAL | HAL | 111.9° | 110.8° |
| CAV | CAL | HALA | 113.4° | 110.8° |
| CAL | CAV | HAV | 105.2° | 111.1° |
| CAW | CAV | CAU | 114.0° | 106.7° |
| CAV | CAW | CAB | 117.3° | 109.8° |
| CAV | CAW | CAN | 111.6° | 108.1° |
| CAW | CAV | HAV | 113.4° | 111.4° |
| CAV | CAU | CAO | 104.8° | 106.6° |
| CAV | CAU | CAM | 115.4° | 110.1° |
| CAU | CAV | HAV | 96.3° | 111.4° |
| CAV | CAU | HAU | 110.7° | 110.1° |
| CAB | CAW | CAN | 109.6° | 109.4° |
| CAW | CAB | HAB | 109.5° | 109.5° |
| CAW | CAB | HABA | 109.5° | 109.5° |
| CAW | CAB | HABB | 109.4° | 109.5° |
| CAW | CAN | CAJ | 110.9° | 107.5° |
| CAW | CAN | HAN | 109.0° | 109.9° |
| CAW | CAN | HANA | 108.7° | 109.9° |
| CAN | CAJ | CAO | 113.5° | 110.2° |
| CAJ | CAN | HAN | 109.0° | 109.9° |
| CAJ | CAN | HANA | 108.7° | 109.8° |
| CAN | CAJ | HAJ | 108.2° | 109.3° |
| CAN | CAJ | HAJA | 107.3° | 109.4° |
| CAJ | CAO | CAU | 117.7° | 120.0° |
| CAJ | CAO | OAC | 119.1° | 120.1° |
| CAO | CAJ | HAJ | 108.1° | 109.3° |
| CAO | CAJ | HAJA | 107.2° | 109.4° |
| CAO | CAU | CAM | 114.7° | 110.5° |
| CAU | CAO | OAC | 123.2° | 119.9° |
| CAO | CAU | HAU | 111.5° | 109.4° |
| CAU | CAM | CAK | 110.2° | 109.5° |
| CAM | CAU | HAU | 99.9° | 110.1° |
| CAU | CAM | HAM | 109.2° | 109.4° |
| CAU | CAM | HAMA | 109.1° | 109.5° |
| CAM | CAK | CAT | 115.3° | 109.4° |
| CAK | CAM | HAM | 109.2° | 109.5° |
| CAK | CAM | HAMA | 109.1° | 109.5° |
| CAM | CAK | HAK | 107.6° | 109.5° |
| CAM | CAK | HAKA | 106.2° | 109.5° |
| CAK | CAT | CAS | 118.8° | 120.0° |
| CAK | CAT | CAQ | 122.3° | 120.0° |
| CAT | CAK | HAK | 107.6° | 109.5° |
| CAT | CAK | HAKA | 106.2° | 109.5° |
| CAS | CAT | CAQ | 118.8° | 120.0° |
| CAT | CAS | OAF | 118.6° | 120.1° |
| CAT | CAS | CAR | 120.4° | 119.8° |
| CAT | CAQ | CAG | 120.5° | 120.1° |
| CAT | CAQ | CAA | 124.4° | 119.9° |
| OAF | CAS | CAR | 121.0° | 120.1° |
| CAS | OAF | HOAF | 109.5° | 114.0° |
| CAS | CAR | OAE | 124.7° | 120.1° |
| CAS | CAR | CAH | 118.2° | 119.8° |
| OAE | CAR | CAH | 117.1° | 120.1° |
| CAR | OAE | HOAE | 109.5° | 114.0° |
| CAR | CAH | CAG | 121.8° | 120.0° |
| CAR | CAH | HAH | 119.1° | 120.0° |
| CAH | CAG | CAQ | 120.2° | 120.1° |
| CAG | CAH | HAH | 119.1° | 120.0° |
| CAH | CAG | HAG | 119.9° | 120.0° |
| CAG | CAQ | CAA | 115.0° | 119.9° |
| CAQ | CAG | HAG | 119.9° | 119.9° |
| CAQ | CAA | HAA | 109.5° | 109.5° |
| CAQ | CAA | HAAA | 109.5° | 109.5° |
| CAQ | CAA | HAAB | 109.5° | 109.4° |
| HAI | CAI | HAIA | 105.6° | 110.0° |
| HAL | CAL | HALA | 104.1° | 110.9° |
| HAB | CAB | HABA | 109.4° | 109.4° |
| HAB | CAB | HABB | 109.5° | 109.5° |
| HABA | CAB | HABB | 109.5° | 109.5° |
| HAN | CAN | HANA | 110.5° | 109.9° |
| HAJ | CAJ | HAJA | 112.7° | 109.2° |
| HAM | CAM | HAMA | 110.1° | 109.5° |
| HAK | CAK | HAKA | 114.2° | 109.5° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.4° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAD | CAP | CAI | CAW | 179.0° | 179.7° |
| OAD | CAP | CAI | CAL | 165.3° | 176.5° |
| OAD | CAP | CAW | CAV | 144.1° | 150.9° |
| OAD | CAP | CAW | CAB | 94.9° | 91.9° |
| OAD | CAP | CAW | CAN | 27.4° | 32.7° |
| OAD | CAP | CAI | HAI | 45.3° | 57.2° |
| OAD | CAP | CAI | HAIA | 72.7° | 64.3° |
| CAP | CAI | CAL | HAI | 120.0° | 119.4° |
| CAP | CAI | CAL | HAIA | 121.9° | 119.3° |
| CAP | CAI | CAL | CAV | 15.0° | 23.4° |
| CAI | CAP | CAW | CAV | 34.9° | 29.4° |
| CAI | CAP | CAW | CAB | 86.1° | 87.8° |
| CAI | CAP | CAW | CAN | 151.6° | 147.6° |
| CAP | CAI | HAI | HAIA | 122.1° | 121.5° |
| CAP | CAI | CAL | HAL | 135.0° | 141.7° |
| CAP | CAI | CAL | HALA | 107.6° | 94.8° |
| CAW | CAP | CAI | CAL | 13.7° | 3.8° |
| CAP | CAW | CAV | CAL | 44.5° | 43.8° |
| CAP | CAW | CAV | CAB | 113.3° | 117.1° |
| CAP | CAW | CAV | CAN | 119.2° | 123.7° |
| CAP | CAW | CAV | CAU | 179.8° | 163.9° |
| CAP | CAW | CAB | CAN | 125.3° | 128.3° |
| CAP | CAW | CAN | CAJ | 157.8° | 177.3° |
| CAW | CAP | CAI | HAI | 133.7° | 123.1° |
| CAW | CAP | CAI | HAIA | 108.2° | 115.4° |
| CAP | CAW | CAV | HAV | 70.9° | 74.3° |
| CAP | CAW | CAB | HAB | 79.6° | 61.5° |
| CAP | CAW | CAB | HABA | 40.3° | 178.6° |
| CAP | CAW | CAB | HABB | 160.4° | 58.6° |
| CAP | CAW | CAN | HAN | 82.2° | 57.7° |
| CAP | CAW | CAN | HANA | 38.4° | 63.3° |
| CAI | CAL | CAV | HAL | 120.0° | 118.3° |
| CAI | CAL | CAV | HALA | 122.5° | 118.3° |
| CAI | CAL | CAV | CAW | 38.6° | 40.5° |
| CAI | CAL | CAV | CAU | 170.8° | 154.9° |
| CAL | CAI | HAI | HAIA | 122.1° | 121.3° |
| CAI | CAL | HAL | HALA | 122.9° | 123.4° |
| CAI | CAL | CAV | HAV | 82.2° | 77.8° |
| CAL | CAV | CAW | CAU | 135.7° | 120.1° |
| CAL | CAV | CAW | HAV | 115.4° | 118.1° |
| CAL | CAV | CAU | HAV | 111.9° | 127.1° |
| CAL | CAV | CAW | CAB | 68.7° | 73.3° |
| CAL | CAV | CAW | CAN | 163.7° | 167.4° |
| CAL | CAV | CAU | CAO | 173.4° | 169.9° |
| CAL | CAV | CAU | CAM | 46.2° | 70.2° |
| CAV | CAL | CAI | HAI | 105.0° | 95.9° |
| CAV | CAL | CAI | HAIA | 136.9° | 142.8° |
| CAV | CAL | HAL | HALA | 122.9° | 123.4° |
| CAL | CAV | CAU | HAU | 66.3° | 51.3° |
| CAW | CAV | CAU | HAV | 119.1° | 121.8° |
| CAV | CAW | CAB | CAN | 128.5° | 118.4° |
| CAV | CAW | CAN | CAJ | 50.8° | 67.0° |
| CAW | CAV | CAU | CAO | 57.6° | 58.8° |
| CAW | CAV | CAU | CAM | 175.2° | 178.7° |
| CAW | CAV | CAL | HAL | 158.6° | 158.8° |
| CAW | CAV | CAL | HALA | 83.9° | 77.8° |
| CAV | CAW | CAB | HAB | 26.5° | 174.7° |
| CAV | CAW | CAB | HABA | 146.5° | 65.4° |
| CAV | CAW | CAB | HABB | 93.5° | 54.6° |
| CAV | CAW | CAN | HAN | 170.8° | 173.5° |
| CAV | CAW | CAN | HANA | 68.7° | 52.5° |
| CAW | CAV | CAU | HAU | 62.7° | 59.7° |
| CAU | CAV | CAW | CAB | 67.0° | 46.8° |
| CAU | CAV | CAW | CAN | 60.6° | 72.5° |
| CAV | CAU | CAO | CAJ | 52.6° | 49.5° |
| CAV | CAU | CAO | CAM | 127.6° | 119.6° |
| CAV | CAU | CAO | HAU | 119.8° | 119.0° |
| CAV | CAU | CAM | HAU | 118.7° | 121.5° |
| CAV | CAU | CAO | OAC | 127.6° | 130.0° |
| CAV | CAU | CAM | CAK | 47.7° | 175.0° |
| CAU | CAV | CAL | HAL | 69.3° | 86.8° |
| CAU | CAV | CAL | HALA | 48.2° | 36.6° |
| CAV | CAU | CAM | HAM | 72.3° | 65.0° |
| CAV | CAU | CAM | HAMA | 167.4° | 55.0° |
| CAB | CAW | CAN | CAJ | 80.8° | 52.6° |
| CAB | CAW | CAV | HAV | 175.8° | 168.6° |
| CAW | CAB | HAB | HABA | 120.0° | 120.0° |
| CAW | CAB | HAB | HABB | 120.0° | 120.0° |
| CAW | CAB | HABA | HABB | 120.0° | 120.0° |
| CAB | CAW | CAN | HAN | 39.1° | 67.0° |
| CAB | CAW | CAN | HANA | 159.7° | 172.0° |
| CAW | CAN | CAJ | HAN | 120.0° | 119.5° |
| CAW | CAN | CAJ | HANA | 119.4° | 119.5° |
| CAW | CAN | CAJ | CAO | 45.1° | 51.4° |
| CAN | CAW | CAV | HAV | 48.3° | 49.4° |
| CAN | CAW | CAB | HAB | 155.0° | 66.9° |
| CAN | CAW | CAB | HABA | 85.0° | 53.1° |
| CAN | CAW | CAB | HABB | 35.0° | 173.1° |
| CAW | CAN | HAN | HANA | 119.4° | 121.0° |
| CAW | CAN | CAJ | HAJ | 74.9° | 68.7° |
| CAW | CAN | CAJ | HAJA | 163.3° | 171.7° |
| CAN | CAJ | CAO | HAJ | 120.0° | 120.2° |
| CAN | CAJ | CAO | HAJA | 118.2° | 120.3° |
| CAN | CAJ | CAO | CAU | 49.2° | 45.8° |
| CAN | CAJ | CAO | OAC | 131.0° | 133.8° |
| CAJ | CAN | HAN | HANA | 119.4° | 120.9° |
| CAN | CAJ | HAJ | HAJA | 118.4° | 119.6° |
| CAJ | CAO | CAU | OAC | 179.8° | 179.6° |
| CAJ | CAO | CAU | CAM | 179.8° | 169.2° |
| CAO | CAJ | CAN | HAN | 165.1° | 171.0° |
| CAO | CAJ | CAN | HANA | 74.3° | 68.1° |
| CAO | CAJ | HAJ | HAJA | 118.3° | 119.7° |
| CAJ | CAO | CAU | HAU | 67.2° | 69.4° |
| CAO | CAU | CAM | HAU | 119.3° | 120.9° |
| CAO | CAU | CAM | CAK | 74.4° | 67.5° |
| CAO | CAU | CAV | HAV | 61.5° | 63.0° |
| CAU | CAO | CAJ | HAJ | 70.8° | 74.4° |
| CAU | CAO | CAJ | HAJA | 167.4° | 166.1° |
| CAO | CAU | CAM | HAM | 165.7° | 52.5° |
| CAO | CAU | CAM | HAMA | 45.3° | 172.5° |
| CAM | CAU | CAO | OAC | 0.0° | 10.4° |
| CAU | CAM | CAK | HAM | 120.0° | 120.0° |
| CAU | CAM | CAK | HAMA | 119.7° | 120.0° |
| CAU | CAM | CAK | CAT | 153.4° | 180.0° |
| CAM | CAU | CAV | HAV | 65.7° | 56.9° |
| CAU | CAM | HAM | HAMA | 119.7° | 120.0° |
| CAU | CAM | CAK | HAK | 86.6° | 60.0° |
| CAU | CAM | CAK | HAKA | 36.0° | 60.0° |
| OAC | CAO | CAJ | HAJ | 109.0° | 106.1° |
| OAC | CAO | CAJ | HAJA | 12.7° | 13.5° |
| OAC | CAO | CAU | HAU | 112.6° | 111.0° |
| CAM | CAK | CAT | HAK | 120.0° | 120.0° |
| CAM | CAK | CAT | HAKA | 117.4° | 120.0° |
| CAM | CAK | CAT | CAS | 95.2° | 90.1° |
| CAM | CAK | CAT | CAQ | 86.8° | 90.3° |
| CAK | CAM | CAU | HAU | 166.3° | 53.4° |
| CAK | CAM | HAM | HAMA | 119.7° | 120.0° |
| CAM | CAK | HAK | HAKA | 117.6° | 120.0° |
| CAK | CAT | CAS | CAQ | 178.1° | 179.6° |
| CAK | CAT | CAS | OAF | 1.3° | 0.1° |
| CAK | CAT | CAS | CAR | 178.2° | 180.0° |
| CAK | CAT | CAQ | CAG | 177.7° | 179.8° |
| CAK | CAT | CAQ | CAA | 2.6° | 0.1° |
| CAT | CAK | CAM | HAM | 33.4° | 60.0° |
| CAT | CAK | CAM | HAMA | 86.9° | 60.0° |
| CAT | CAK | HAK | HAKA | 117.6° | 120.1° |
| CAT | CAS | OAF | CAR | 179.6° | 179.9° |
| CAT | CAS | CAR | OAE | 179.8° | 180.0° |
| CAT | CAS | CAR | CAH | 0.4° | 0.1° |
| CAS | CAT | CAQ | CAG | 0.2° | 0.6° |
| CAS | CAT | CAQ | CAA | 179.4° | 179.7° |
| CAS | CAT | CAK | HAK | 24.8° | 29.9° |
| CAS | CAT | CAK | HAKA | 147.4° | 149.9° |
| CAT | CAS | OAF | HOAF | 86.0° | 90.0° |
| CAQ | CAT | CAS | OAF | 179.4° | 179.7° |
| CAQ | CAT | CAS | CAR | 0.2° | 0.4° |
| CAT | CAQ | CAG | CAH | 0.5° | 0.5° |
| CAT | CAQ | CAG | CAA | 179.7° | 179.7° |
| CAQ | CAT | CAK | HAK | 153.2° | 149.7° |
| CAQ | CAT | CAK | HAKA | 30.6° | 29.7° |
| CAT | CAQ | CAG | HAG | 179.5° | 179.7° |
| CAT | CAQ | CAA | HAA | 94.6° | 90.0° |
| CAT | CAQ | CAA | HAAA | 25.5° | 150.0° |
| CAT | CAQ | CAA | HAAB | 145.5° | 30.0° |
| OAF | CAS | CAR | OAE | 0.6° | 0.0° |
| OAF | CAS | CAR | CAH | 179.2° | 180.0° |
| CAS | CAR | OAE | CAH | 179.8° | 180.0° |
| CAS | CAR | CAH | CAG | 0.2° | 0.0° |
| CAR | CAS | OAF | HOAF | 94.5° | 90.0° |
| CAS | CAR | OAE | HOAE | 85.8° | 90.0° |
| CAS | CAR | CAH | HAH | 179.8° | 180.0° |
| OAE | CAR | CAH | CAG | 180.0° | 180.0° |
| OAE | CAR | CAH | HAH | 0.0° | 0.1° |
| CAR | CAH | CAG | HAH | 180.0° | 180.0° |
| CAR | CAH | CAG | CAQ | 0.2° | 0.3° |
| CAH | CAR | OAE | HOAE | 94.4° | 90.0° |
| CAR | CAH | CAG | HAG | 179.8° | 180.0° |
| CAH | CAG | CAQ | HAG | 180.0° | 179.7° |
| CAH | CAG | CAQ | CAA | 179.2° | 179.7° |
| CAQ | CAG | CAH | HAH | 179.7° | 179.8° |
| CAG | CAQ | CAA | HAA | 85.8° | 89.7° |
| CAG | CAQ | CAA | HAAA | 154.2° | 30.3° |
| CAG | CAQ | CAA | HAAB | 34.2° | 150.3° |
| CAA | CAQ | CAG | HAG | 0.8° | 0.0° |
| CAQ | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAQ | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAQ | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAI | CAI | CAL | HAL | 15.0° | 22.4° |
| HAI | CAI | CAL | HALA | 132.4° | 145.8° |
| HAIA | CAI | CAL | HAL | 103.1° | 99.0° |
| HAIA | CAI | CAL | HALA | 14.3° | 24.5° |
| HAL | CAL | CAV | HAV | 37.8° | 40.5° |
| HALA | CAL | CAV | HAV | 155.3° | 163.9° |
| HAV | CAV | CAU | HAU | 178.2° | 178.5° |
| HAB | CAB | HABA | HABB | 120.0° | 120.0° |
| HAN | CAN | CAJ | HAJ | 45.1° | 50.8° |
| HAN | CAN | CAJ | HAJA | 76.7° | 68.8° |
| HANA | CAN | CAJ | HAJ | 165.7° | 171.8° |
| HANA | CAN | CAJ | HAJA | 43.9° | 52.2° |
| HAU | CAU | CAM | HAM | 46.4° | 173.4° |
| HAU | CAU | CAM | HAMA | 74.0° | 66.6° |
| HAM | CAM | CAK | HAK | 153.4° | 180.0° |
| HAM | CAM | CAK | HAKA | 84.0° | 60.0° |
| HAMA | CAM | CAK | HAK | 33.1° | 60.0° |
| HAMA | CAM | CAK | HAKA | 155.7° | 180.0° |
| HAH | CAH | CAG | HAG | 0.3° | 0.1° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
