8SH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| SAK | CAJ | sing | 1.81Å | 1.85Å | |
| CAJ | CAI | sing | 1.53Å | 1.54Å | |
| CAI | CAL | sing | 1.53Å | 1.57Å | |
| CAI | PAD | sing | 1.82Å | 1.75Å | |
| CAN | CAO | sing | 1.51Å | 1.54Å | |
| CAN | CAM | sing | 1.53Å | 1.56Å | |
| OAE | PAD | doub | 1.48Å | 1.55Å | |
| CAO | CAP | doub | 1.38Å | 1.40Å | Aromatic |
| CAO | CAT | sing | 1.38Å | 1.41Å | Aromatic |
| CAL | CAM | sing | 1.53Å | 1.59Å | |
| CAP | CAQ | sing | 1.38Å | 1.44Å | Aromatic |
| CAT | CAS | doub | 1.38Å | 1.43Å | Aromatic |
| PAD | OAF | sing | 1.61Å | 1.63Å | |
| PAD | OAC | sing | 1.61Å | 1.62Å | |
| CAQ | CAR | doub | 1.38Å | 1.42Å | Aromatic |
| CAS | CAR | sing | 1.38Å | 1.40Å | Aromatic |
| OAF | CAG | sing | 1.43Å | 1.42Å | |
| CAH | CAG | sing | 1.53Å | 1.55Å | |
| OAC | CAB | sing | 1.43Å | 1.45Å | |
| CAB | CAA | sing | 1.53Å | 1.55Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAB | HAB1 | sing | 1.09Å | 1.10Å | |
| CAB | HAB2 | sing | 1.09Å | 1.10Å | |
| CAG | HAG1 | sing | 1.09Å | 1.10Å | |
| CAG | HAG2 | sing | 1.09Å | 1.10Å | |
| CAH | HAH2 | sing | 1.09Å | 1.10Å | |
| CAH | HAH1 | sing | 1.09Å | 1.10Å | |
| CAH | HAH3 | sing | 1.09Å | 1.10Å | |
| CAI | HAI1 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ1 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ2 | sing | 1.09Å | 1.10Å | |
| SAK | HAK1 | sing | 1.35Å | 1.30Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å | |
| CAM | HAM2 | sing | 1.09Å | 1.10Å | |
| CAM | HAM1 | sing | 1.09Å | 1.10Å | |
| CAN | HAN2 | sing | 1.09Å | 1.10Å | |
| CAN | HAN1 | sing | 1.09Å | 1.10Å | |
| CAP | HAP1 | sing | 1.08Å | 1.08Å | |
| CAQ | HAQ1 | sing | 1.08Å | 1.08Å | |
| CAR | HAR1 | sing | 1.08Å | 1.08Å | |
| CAS | HAS1 | sing | 1.08Å | 1.08Å | |
| CAT | HAT1 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| SAK | CAJ | CAI | 105.8° | 109.5° |
| SAK | CAJ | HAJ1 | 110.4° | 109.5° |
| SAK | CAJ | HAJ2 | 110.4° | 109.5° |
| CAJ | SAK | HAK1 | 102.0° | 103.0° |
| CAJ | CAI | CAL | 108.9° | 109.5° |
| CAJ | CAI | PAD | 107.8° | 109.5° |
| CAJ | CAI | HAI1 | 111.4° | 109.4° |
| CAI | CAJ | HAJ1 | 110.4° | 109.4° |
| CAI | CAJ | HAJ2 | 110.4° | 109.5° |
| CAL | CAI | PAD | 108.8° | 109.5° |
| CAI | CAL | CAM | 111.5° | 109.5° |
| CAL | CAI | HAI1 | 111.0° | 109.5° |
| CAI | CAL | HAL1 | 109.0° | 109.5° |
| CAI | CAL | HAL2 | 109.0° | 109.5° |
| CAI | PAD | OAE | 113.6° | 109.5° |
| CAI | PAD | OAF | 105.5° | 109.5° |
| CAI | PAD | OAC | 110.2° | 109.5° |
| PAD | CAI | HAI1 | 108.8° | 109.5° |
| CAO | CAN | CAM | 112.2° | 109.5° |
| CAN | CAO | CAP | 120.4° | 120.0° |
| CAN | CAO | CAT | 120.9° | 120.0° |
| CAO | CAN | HAN2 | 108.8° | 109.4° |
| CAO | CAN | HAN1 | 108.8° | 109.4° |
| CAN | CAM | CAL | 110.4° | 109.5° |
| CAN | CAM | HAM2 | 109.3° | 109.5° |
| CAN | CAM | HAM1 | 109.3° | 109.5° |
| CAM | CAN | HAN2 | 108.8° | 109.5° |
| CAM | CAN | HAN1 | 108.8° | 109.5° |
| OAE | PAD | OAF | 107.9° | 109.5° |
| OAE | PAD | OAC | 112.9° | 109.5° |
| CAP | CAO | CAT | 118.6° | 120.0° |
| CAO | CAP | CAQ | 120.8° | 120.0° |
| CAO | CAP | HAP1 | 119.6° | 120.0° |
| CAO | CAT | CAS | 121.6° | 120.0° |
| CAO | CAT | HAT1 | 119.2° | 120.0° |
| CAM | CAL | HAL1 | 109.0° | 109.5° |
| CAM | CAL | HAL2 | 109.0° | 109.5° |
| CAL | CAM | HAM2 | 109.3° | 109.4° |
| CAL | CAM | HAM1 | 109.3° | 109.5° |
| CAP | CAQ | CAR | 120.1° | 120.0° |
| CAQ | CAP | HAP1 | 119.6° | 120.0° |
| CAP | CAQ | HAQ1 | 120.0° | 120.0° |
| CAT | CAS | CAR | 119.7° | 120.0° |
| CAT | CAS | HAS1 | 120.2° | 120.0° |
| CAS | CAT | HAT1 | 119.2° | 120.0° |
| OAF | PAD | OAC | 106.2° | 109.5° |
| PAD | OAF | CAG | 124.3° | 123.0° |
| PAD | OAC | CAB | 123.9° | 123.0° |
| CAQ | CAR | CAS | 119.2° | 120.0° |
| CAR | CAQ | HAQ1 | 119.9° | 120.0° |
| CAQ | CAR | HAR1 | 120.4° | 120.0° |
| CAS | CAR | HAR1 | 120.4° | 120.0° |
| CAR | CAS | HAS1 | 120.1° | 120.0° |
| OAF | CAG | CAH | 108.7° | 109.4° |
| OAF | CAG | HAG1 | 109.7° | 109.4° |
| OAF | CAG | HAG2 | 109.7° | 109.5° |
| CAH | CAG | HAG1 | 109.6° | 109.4° |
| CAH | CAG | HAG2 | 109.6° | 109.5° |
| CAG | CAH | HAH2 | 109.5° | 109.5° |
| CAG | CAH | HAH1 | 109.5° | 109.5° |
| CAG | CAH | HAH3 | 109.5° | 109.4° |
| OAC | CAB | CAA | 106.9° | 109.5° |
| OAC | CAB | HAB1 | 110.1° | 109.5° |
| OAC | CAB | HAB2 | 110.1° | 109.5° |
| CAB | CAA | HAA3 | 109.5° | 109.4° |
| CAB | CAA | HAA1 | 109.5° | 109.5° |
| CAB | CAA | HAA2 | 109.5° | 109.5° |
| CAA | CAB | HAB1 | 110.1° | 109.5° |
| CAA | CAB | HAB2 | 110.1° | 109.4° |
| HAA3 | CAA | HAA1 | 109.5° | 109.4° |
| HAA3 | CAA | HAA2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA2 | 109.5° | 109.5° |
| HAB1 | CAB | HAB2 | 109.4° | 109.5° |
| HAG1 | CAG | HAG2 | 109.5° | 109.5° |
| HAH2 | CAH | HAH1 | 109.4° | 109.5° |
| HAH2 | CAH | HAH3 | 109.5° | 109.5° |
| HAH1 | CAH | HAH3 | 109.5° | 109.4° |
| HAJ1 | CAJ | HAJ2 | 109.5° | 109.4° |
| HAL1 | CAL | HAL2 | 109.5° | 109.4° |
| HAM2 | CAM | HAM1 | 109.4° | 109.4° |
| HAN2 | CAN | HAN1 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| SAK | CAJ | CAI | HAJ1 | 119.4° | 120.0° |
| SAK | CAJ | CAI | HAJ2 | 119.4° | 120.0° |
| SAK | CAJ | CAI | CAL | 75.9° | 180.0° |
| SAK | CAJ | CAI | PAD | 166.2° | 60.0° |
| SAK | CAJ | CAI | HAI1 | 46.9° | 60.0° |
| SAK | CAJ | HAJ1 | HAJ2 | 121.7° | 120.0° |
| CAJ | CAI | CAL | PAD | 117.3° | 120.0° |
| CAJ | CAI | CAL | HAI1 | 123.0° | 120.0° |
| CAJ | CAI | PAD | HAI1 | 120.9° | 119.9° |
| CAJ | CAI | PAD | OAE | 67.2° | 176.7° |
| CAJ | CAI | CAL | CAM | 162.0° | 174.1° |
| CAJ | CAI | PAD | OAF | 50.8° | 56.7° |
| CAJ | CAI | PAD | OAC | 165.0° | 63.3° |
| CAI | CAJ | HAJ1 | HAJ2 | 121.7° | 120.0° |
| CAI | CAJ | SAK | HAK1 | 180.0° | 180.0° |
| CAJ | CAI | CAL | HAL1 | 41.7° | 54.1° |
| CAJ | CAI | CAL | HAL2 | 77.7° | 65.8° |
| CAL | CAI | PAD | HAI1 | 121.1° | 120.0° |
| CAI | CAL | CAM | CAN | 85.5° | 174.8° |
| CAL | CAI | PAD | OAE | 174.8° | 63.3° |
| CAI | CAL | CAM | HAL1 | 120.3° | 120.0° |
| CAI | CAL | CAM | HAL2 | 120.3° | 120.1° |
| CAL | CAI | PAD | OAF | 67.2° | 176.7° |
| CAL | CAI | PAD | OAC | 47.0° | 56.7° |
| CAL | CAI | CAJ | HAJ1 | 43.6° | 60.0° |
| CAL | CAI | CAJ | HAJ2 | 164.7° | 60.0° |
| CAI | CAL | HAL1 | HAL2 | 119.1° | 120.0° |
| CAI | CAL | CAM | HAM2 | 34.7° | 65.1° |
| CAI | CAL | CAM | HAM1 | 154.3° | 54.8° |
| CAI | PAD | OAE | OAF | 116.6° | 120.0° |
| CAI | PAD | OAE | OAC | 126.4° | 120.0° |
| PAD | CAI | CAL | CAM | 80.7° | 65.9° |
| CAI | PAD | OAF | OAC | 116.9° | 120.0° |
| CAI | PAD | OAF | CAG | 152.4° | 175.0° |
| CAI | PAD | OAC | CAB | 119.6° | 175.0° |
| PAD | CAI | CAJ | HAJ1 | 74.4° | 60.1° |
| PAD | CAI | CAJ | HAJ2 | 46.8° | 180.0° |
| PAD | CAI | CAL | HAL1 | 159.0° | 174.1° |
| PAD | CAI | CAL | HAL2 | 39.6° | 54.2° |
| CAO | CAN | CAM | HAN2 | 120.4° | 120.0° |
| CAO | CAN | CAM | HAN1 | 120.4° | 119.9° |
| CAN | CAO | CAP | CAT | 179.5° | 179.8° |
| CAO | CAN | CAM | CAL | 172.2° | 180.0° |
| CAN | CAO | CAP | CAQ | 179.8° | 180.0° |
| CAN | CAO | CAT | CAS | 179.8° | 179.7° |
| CAO | CAN | CAM | HAM2 | 67.6° | 60.0° |
| CAO | CAN | CAM | HAM1 | 52.1° | 60.0° |
| CAO | CAN | HAN2 | HAN1 | 118.7° | 119.9° |
| CAN | CAO | CAP | HAP1 | 0.2° | 0.1° |
| CAN | CAO | CAT | HAT1 | 0.2° | 0.0° |
| CAM | CAN | CAO | CAP | 82.3° | 90.0° |
| CAM | CAN | CAO | CAT | 97.3° | 90.2° |
| CAN | CAM | CAL | HAM2 | 120.1° | 120.1° |
| CAN | CAM | CAL | HAM1 | 120.2° | 120.0° |
| CAN | CAM | CAL | HAL1 | 34.8° | 54.8° |
| CAN | CAM | CAL | HAL2 | 154.2° | 65.1° |
| CAN | CAM | HAM2 | HAM1 | 119.6° | 120.0° |
| CAM | CAN | HAN2 | HAN1 | 118.8° | 120.1° |
| OAE | PAD | OAF | OAC | 121.3° | 120.0° |
| OAE | PAD | OAF | CAG | 30.7° | 55.0° |
| OAE | PAD | OAC | CAB | 8.7° | 55.0° |
| OAE | PAD | CAI | HAI1 | 53.7° | 56.8° |
| CAO | CAP | CAQ | HAP1 | 180.0° | 179.9° |
| CAP | CAO | CAT | CAS | 0.3° | 0.5° |
| CAO | CAP | CAQ | CAR | 0.1° | 0.0° |
| CAP | CAO | CAN | HAN2 | 157.3° | 30.1° |
| CAP | CAO | CAN | HAN1 | 38.2° | 150.0° |
| CAO | CAP | CAQ | HAQ1 | 179.9° | 180.0° |
| CAP | CAO | CAT | HAT1 | 179.7° | 179.8° |
| CAT | CAO | CAP | CAQ | 0.3° | 0.2° |
| CAO | CAT | CAS | HAT1 | 180.0° | 179.7° |
| CAO | CAT | CAS | CAR | 0.1° | 0.5° |
| CAT | CAO | CAN | HAN2 | 23.1° | 149.8° |
| CAT | CAO | CAN | HAN1 | 142.3° | 29.8° |
| CAT | CAO | CAP | HAP1 | 179.7° | 179.7° |
| CAO | CAT | CAS | HAS1 | 179.9° | 179.8° |
| CAM | CAL | CAI | HAI1 | 39.0° | 54.1° |
| CAM | CAL | HAL1 | HAL2 | 119.1° | 120.0° |
| CAL | CAM | HAM2 | HAM1 | 119.6° | 120.0° |
| CAL | CAM | CAN | HAN2 | 51.8° | 60.0° |
| CAL | CAM | CAN | HAN1 | 67.4° | 60.0° |
| CAP | CAQ | CAR | HAQ1 | 180.0° | 180.0° |
| CAP | CAQ | CAR | CAS | 0.1° | 0.1° |
| CAP | CAQ | CAR | HAR1 | 179.9° | 180.0° |
| CAT | CAS | CAR | CAQ | 0.1° | 0.3° |
| CAT | CAS | CAR | HAS1 | 180.0° | 179.7° |
| CAT | CAS | CAR | HAR1 | 179.9° | 179.8° |
| PAD | OAF | CAG | CAH | 148.5° | 180.0° |
| OAF | PAD | OAC | CAB | 126.7° | 65.0° |
| PAD | OAF | CAG | HAG1 | 28.6° | 60.0° |
| PAD | OAF | CAG | HAG2 | 91.6° | 60.0° |
| OAF | PAD | CAI | HAI1 | 171.7° | 63.2° |
| OAC | PAD | OAF | CAG | 90.7° | 65.0° |
| PAD | OAC | CAB | CAA | 173.9° | 180.0° |
| PAD | OAC | CAB | HAB1 | 66.6° | 60.0° |
| PAD | OAC | CAB | HAB2 | 54.2° | 60.0° |
| OAC | PAD | CAI | HAI1 | 74.1° | 176.8° |
| CAQ | CAR | CAS | HAR1 | 180.0° | 179.9° |
| CAR | CAQ | CAP | HAP1 | 179.9° | 179.9° |
| CAQ | CAR | CAS | HAS1 | 179.9° | 180.0° |
| CAS | CAR | CAQ | HAQ1 | 179.9° | 180.0° |
| CAR | CAS | CAT | HAT1 | 179.9° | 179.7° |
| OAF | CAG | CAH | HAG1 | 119.9° | 119.9° |
| OAF | CAG | CAH | HAG2 | 119.9° | 120.0° |
| OAF | CAG | HAG1 | HAG2 | 120.4° | 120.0° |
| OAF | CAG | CAH | HAH2 | 180.0° | 60.0° |
| OAF | CAG | CAH | HAH1 | 60.0° | 180.0° |
| OAF | CAG | CAH | HAH3 | 60.0° | 60.1° |
| CAH | CAG | HAG1 | HAG2 | 120.3° | 120.0° |
| CAG | CAH | HAH2 | HAH1 | 120.0° | 120.0° |
| CAG | CAH | HAH2 | HAH3 | 120.0° | 120.0° |
| CAG | CAH | HAH1 | HAH3 | 120.0° | 119.9° |
| OAC | CAB | CAA | HAB1 | 119.6° | 120.0° |
| OAC | CAB | CAA | HAB2 | 119.6° | 120.0° |
| OAC | CAB | CAA | HAA3 | 180.0° | 180.0° |
| OAC | CAB | CAA | HAA1 | 60.0° | 60.1° |
| OAC | CAB | CAA | HAA2 | 60.0° | 60.0° |
| OAC | CAB | HAB1 | HAB2 | 121.2° | 120.0° |
| CAB | CAA | HAA3 | HAA1 | 120.0° | 119.9° |
| CAB | CAA | HAA3 | HAA2 | 120.0° | 120.0° |
| CAB | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| CAA | CAB | HAB1 | HAB2 | 121.1° | 120.0° |
| HAA3 | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| HAA3 | CAA | CAB | HAB1 | 60.4° | 60.0° |
| HAA3 | CAA | CAB | HAB2 | 60.4° | 60.0° |
| HAA1 | CAA | CAB | HAB1 | 179.6° | 60.0° |
| HAA1 | CAA | CAB | HAB2 | 59.6° | 180.0° |
| HAA2 | CAA | CAB | HAB1 | 59.6° | 180.0° |
| HAA2 | CAA | CAB | HAB2 | 179.6° | 60.0° |
| HAG1 | CAG | CAH | HAH2 | 60.1° | 60.0° |
| HAG1 | CAG | CAH | HAH1 | 179.9° | 60.1° |
| HAG1 | CAG | CAH | HAH3 | 59.9° | 180.0° |
| HAG2 | CAG | CAH | HAH2 | 60.1° | 180.0° |
| HAG2 | CAG | CAH | HAH1 | 59.9° | 60.0° |
| HAG2 | CAG | CAH | HAH3 | 179.9° | 59.9° |
| HAH2 | CAH | HAH1 | HAH3 | 120.0° | 120.0° |
| HAI1 | CAI | CAJ | HAJ1 | 166.3° | 180.0° |
| HAI1 | CAI | CAJ | HAJ2 | 72.5° | 60.0° |
| HAI1 | CAI | CAL | HAL1 | 81.3° | 65.9° |
| HAI1 | CAI | CAL | HAL2 | 159.3° | 174.2° |
| HAJ1 | CAJ | SAK | HAK1 | 60.6° | 60.0° |
| HAJ2 | CAJ | SAK | HAK1 | 60.6° | 60.0° |
| HAL1 | CAL | CAM | HAM2 | 154.9° | 174.9° |
| HAL1 | CAL | CAM | HAM1 | 85.4° | 65.2° |
| HAL2 | CAL | CAM | HAM2 | 85.7° | 55.0° |
| HAL2 | CAL | CAM | HAM1 | 34.0° | 174.9° |
| HAM2 | CAM | CAN | HAN2 | 172.0° | 180.0° |
| HAM2 | CAM | CAN | HAN1 | 52.8° | 60.0° |
| HAM1 | CAM | CAN | HAN2 | 68.3° | 60.0° |
| HAM1 | CAM | CAN | HAN1 | 172.5° | 179.9° |
| HAP1 | CAP | CAQ | HAQ1 | 0.1° | 0.1° |
| HAQ1 | CAQ | CAR | HAR1 | 0.1° | 0.1° |
| HAR1 | CAR | CAS | HAS1 | 0.1° | 0.1° |
| HAS1 | CAS | CAT | HAT1 | 0.1° | 0.1° |
