ZS4
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAQ | CAR | sing | 1.53Å | 1.51Å | |
CAQ | NAV | sing | 1.47Å | 1.48Å | |
CAR | OAW | sing | 1.43Å | 1.47Å | |
OAW | CBB | sing | 1.43Å | 1.41Å | |
CBB | CBA | sing | 1.53Å | 1.53Å | |
CBA | NAV | sing | 1.47Å | 1.47Å | |
NAV | CAU | sing | 1.38Å | 1.40Å | |
CAU | NAP | sing | 1.33Å | 1.34Å | Aromatic |
CAU | NAT | doub | 1.33Å | 1.35Å | Aromatic |
NAP | CAO | doub | 1.33Å | 1.33Å | Aromatic |
NAT | CAS | sing | 1.33Å | 1.34Å | Aromatic |
CAS | NAY | sing | 1.38Å | 1.39Å | |
CAS | NAN | doub | 1.33Å | 1.35Å | Aromatic |
NAY | CAZ | sing | 1.47Å | 1.47Å | |
NAY | CAX | sing | 1.47Å | 1.46Å | |
CAZ | CAI | sing | 1.53Å | 1.52Å | |
CAI | OBD | sing | 1.43Å | 1.45Å | |
OBD | CBC | sing | 1.43Å | 1.46Å | |
CBC | CAX | sing | 1.53Å | 1.51Å | |
NAN | CAO | sing | 1.33Å | 1.35Å | Aromatic |
CAO | NAJ | sing | 1.39Å | 1.32Å | Aromatic |
NAJ | CAK | sing | 1.38Å | 1.32Å | Aromatic |
NAJ | CAD | sing | 1.37Å | 1.33Å | Aromatic |
CAK | CAL | sing | 1.39Å | 1.39Å | Aromatic |
CAK | CAF | doub | 1.40Å | 1.39Å | Aromatic |
CAL | CAM | doub | 1.38Å | 1.39Å | Aromatic |
CAM | CAH | sing | 1.39Å | 1.40Å | Aromatic |
CAH | CAG | doub | 1.38Å | 1.40Å | Aromatic |
CAG | CAF | sing | 1.40Å | 1.38Å | Aromatic |
CAF | NAE | sing | 1.36Å | 1.32Å | Aromatic |
NAE | CAD | doub | 1.30Å | 1.31Å | Aromatic |
CAD | CAC | sing | 1.51Å | 1.50Å | |
CAC | FA | sing | 1.40Å | 1.35Å | |
CAC | FB | sing | 1.40Å | 1.35Å | |
CAQ | HAQ1 | sing | 1.09Å | 1.10Å | |
CAQ | HAQ2 | sing | 1.09Å | 1.10Å | |
CAR | HAR1 | sing | 1.09Å | 1.10Å | |
CAR | HAR2 | sing | 1.09Å | 1.10Å | |
CBB | HBB1 | sing | 1.09Å | 1.10Å | |
CBB | HBB2 | sing | 1.09Å | 1.10Å | |
CBA | HBA1 | sing | 1.09Å | 1.10Å | |
CBA | HBA2 | sing | 1.09Å | 1.10Å | |
CAZ | HAZ1 | sing | 1.09Å | 1.10Å | |
CAZ | HAZ2 | sing | 1.09Å | 1.10Å | |
CAX | HAX1 | sing | 1.09Å | 1.10Å | |
CAX | HAX2 | sing | 1.09Å | 1.10Å | |
CAI | HAI1 | sing | 1.09Å | 1.10Å | |
CAI | HAI2 | sing | 1.09Å | 1.10Å | |
CBC | HBC1 | sing | 1.09Å | 1.10Å | |
CBC | HBC2 | sing | 1.09Å | 1.10Å | |
CAL | HAL | sing | 1.08Å | 1.08Å | |
CAM | HAM | sing | 1.08Å | 1.08Å | |
CAH | HAH | sing | 1.08Å | 1.08Å | |
CAG | HAG | sing | 1.08Å | 1.08Å | |
CAC | HAC | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAR | CAQ | NAV | 107.5° | 109.3° |
CAQ | CAR | OAW | 113.9° | 109.3° |
CAR | CAQ | HAQ1 | 110.1° | 109.5° |
CAR | CAQ | HAQ2 | 110.6° | 109.5° |
CAQ | CAR | HAR1 | 108.0° | 109.5° |
CAQ | CAR | HAR2 | 107.0° | 109.5° |
CAQ | NAV | CBA | 117.0° | 110.8° |
CAQ | NAV | CAU | 121.2° | 111.0° |
NAV | CAQ | HAQ1 | 110.1° | 109.5° |
NAV | CAQ | HAQ2 | 110.5° | 109.5° |
CAR | OAW | CBB | 110.5° | 113.7° |
OAW | CAR | HAR1 | 108.0° | 109.5° |
OAW | CAR | HAR2 | 107.0° | 109.5° |
OAW | CBB | CBA | 107.7° | 109.3° |
OAW | CBB | HBB1 | 110.1° | 109.5° |
OAW | CBB | HBB2 | 110.5° | 109.5° |
CBB | CBA | NAV | 111.8° | 109.3° |
CBA | CBB | HBB1 | 110.1° | 109.5° |
CBA | CBB | HBB2 | 110.5° | 109.6° |
CBB | CBA | HBA1 | 108.7° | 109.6° |
CBB | CBA | HBA2 | 108.2° | 109.5° |
CBA | NAV | CAU | 121.7° | 111.0° |
NAV | CBA | HBA1 | 108.7° | 109.5° |
NAV | CBA | HBA2 | 108.2° | 109.5° |
NAV | CAU | NAP | 121.3° | 120.0° |
NAV | CAU | NAT | 119.1° | 120.0° |
NAP | CAU | NAT | 119.6° | 120.0° |
CAU | NAP | CAO | 121.3° | 120.0° |
CAU | NAT | CAS | 119.1° | 120.0° |
NAP | CAO | NAN | 119.8° | 120.0° |
NAP | CAO | NAJ | 121.3° | 120.0° |
NAT | CAS | NAY | 118.6° | 120.0° |
NAT | CAS | NAN | 121.3° | 120.0° |
NAY | CAS | NAN | 120.1° | 120.0° |
CAS | NAY | CAZ | 120.2° | 111.0° |
CAS | NAY | CAX | 119.1° | 111.0° |
CAS | NAN | CAO | 118.9° | 120.0° |
CAZ | NAY | CAX | 120.6° | 110.8° |
NAY | CAZ | CAI | 110.7° | 109.2° |
NAY | CAZ | HAZ1 | 109.0° | 109.5° |
NAY | CAZ | HAZ2 | 108.8° | 109.5° |
NAY | CAX | CBC | 108.9° | 109.3° |
NAY | CAX | HAX1 | 109.6° | 109.5° |
NAY | CAX | HAX2 | 109.8° | 109.5° |
CAZ | CAI | OBD | 116.5° | 109.3° |
CAI | CAZ | HAZ1 | 109.1° | 109.5° |
CAI | CAZ | HAZ2 | 108.8° | 109.5° |
CAZ | CAI | HAI1 | 107.2° | 109.5° |
CAZ | CAI | HAI2 | 105.6° | 109.5° |
CAI | OBD | CBC | 124.9° | 113.7° |
OBD | CAI | HAI1 | 107.2° | 109.5° |
OBD | CAI | HAI2 | 105.6° | 109.5° |
OBD | CBC | CAX | 111.7° | 109.3° |
OBD | CBC | HBC1 | 108.7° | 109.5° |
OBD | CBC | HBC2 | 108.2° | 109.5° |
CBC | CAX | HAX1 | 109.7° | 109.5° |
CBC | CAX | HAX2 | 109.8° | 109.5° |
CAX | CBC | HBC1 | 108.7° | 109.5° |
CAX | CBC | HBC2 | 108.2° | 109.5° |
NAN | CAO | NAJ | 118.8° | 120.0° |
CAO | NAJ | CAK | 125.7° | 126.4° |
CAO | NAJ | CAD | 126.4° | 126.4° |
CAK | NAJ | CAD | 107.7° | 107.2° |
NAJ | CAK | CAL | 133.0° | 134.0° |
NAJ | CAK | CAF | 106.1° | 106.0° |
NAJ | CAD | NAE | 110.9° | 110.0° |
NAJ | CAD | CAC | 125.9° | 125.0° |
CAL | CAK | CAF | 120.9° | 120.0° |
CAK | CAL | CAM | 118.3° | 119.8° |
CAK | CAL | HAL | 120.9° | 120.1° |
CAK | CAF | CAG | 120.8° | 119.5° |
CAK | CAF | NAE | 108.9° | 107.1° |
CAL | CAM | CAH | 120.9° | 120.4° |
CAM | CAL | HAL | 120.9° | 120.1° |
CAL | CAM | HAM | 119.5° | 119.8° |
CAM | CAH | CAG | 120.1° | 120.6° |
CAH | CAM | HAM | 119.5° | 119.8° |
CAM | CAH | HAH | 120.0° | 119.7° |
CAH | CAG | CAF | 119.0° | 119.7° |
CAG | CAH | HAH | 120.0° | 119.7° |
CAH | CAG | HAG | 120.5° | 120.2° |
CAG | CAF | NAE | 130.3° | 133.5° |
CAF | CAG | HAG | 120.5° | 120.1° |
CAF | NAE | CAD | 106.3° | 109.8° |
NAE | CAD | CAC | 122.9° | 125.0° |
CAD | CAC | FA | 111.8° | 109.5° |
CAD | CAC | FB | 100.1° | 109.5° |
CAD | CAC | HAC | 111.5° | 109.4° |
FA | CAC | FB | 100.8° | 109.5° |
FA | CAC | HAC | 110.9° | 109.5° |
FB | CAC | HAC | 121.0° | 109.5° |
HAQ1 | CAQ | HAQ2 | 108.0° | 109.6° |
HAR1 | CAR | HAR2 | 113.0° | 109.6° |
HBB1 | CBB | HBB2 | 108.1° | 109.6° |
HBA1 | CBA | HBA2 | 111.3° | 109.5° |
HAZ1 | CAZ | HAZ2 | 110.4° | 109.6° |
HAX1 | CAX | HAX2 | 109.0° | 109.6° |
HAI1 | CAI | HAI2 | 115.2° | 109.6° |
HBC1 | CBC | HBC2 | 111.2° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAR | CAQ | NAV | HAQ1 | 120.0° | 119.9° |
CAR | CAQ | NAV | HAQ2 | 120.8° | 119.9° |
CAQ | CAR | OAW | HAR1 | 120.0° | 119.9° |
CAQ | CAR | OAW | HAR2 | 118.0° | 120.0° |
CAQ | CAR | OAW | CBB | 62.7° | 58.6° |
CAR | CAQ | NAV | CBA | 44.9° | 58.6° |
CAR | CAQ | NAV | CAU | 138.8° | 177.6° |
CAR | CAQ | HAQ1 | HAQ2 | 120.8° | 120.1° |
CAQ | CAR | HAR1 | HAR2 | 118.2° | 120.2° |
NAV | CAQ | CAR | OAW | 49.9° | 56.8° |
CAQ | NAV | CBA | CBB | 49.8° | 58.6° |
CAQ | NAV | CBA | CAU | 176.2° | 123.8° |
CAQ | NAV | CAU | NAP | 2.5° | 11.2° |
CAQ | NAV | CAU | NAT | 178.8° | 169.1° |
NAV | CAQ | HAQ1 | HAQ2 | 120.8° | 120.1° |
NAV | CAQ | CAR | HAR1 | 169.9° | 176.7° |
NAV | CAQ | CAR | HAR2 | 68.1° | 63.1° |
CAQ | NAV | CBA | HBA1 | 70.2° | 61.4° |
CAQ | NAV | CBA | HBA2 | 168.8° | 178.5° |
CAR | OAW | CBB | CBA | 62.2° | 58.7° |
OAW | CAR | CAQ | HAQ1 | 169.9° | 176.8° |
OAW | CAR | CAQ | HAQ2 | 70.9° | 63.1° |
OAW | CAR | HAR1 | HAR2 | 118.1° | 120.0° |
CAR | OAW | CBB | HBB1 | 177.8° | 178.6° |
CAR | OAW | CBB | HBB2 | 58.5° | 61.3° |
OAW | CBB | CBA | HBB1 | 120.0° | 119.9° |
OAW | CBB | CBA | HBB2 | 120.7° | 119.9° |
OAW | CBB | CBA | NAV | 56.2° | 56.9° |
CBB | OAW | CAR | HAR1 | 177.3° | 178.6° |
CBB | OAW | CAR | HAR2 | 55.3° | 61.3° |
OAW | CBB | HBB1 | HBB2 | 120.8° | 120.1° |
OAW | CBB | CBA | HBA1 | 63.8° | 63.1° |
OAW | CBB | CBA | HBA2 | 175.2° | 176.8° |
CBB | CBA | NAV | HBA1 | 120.0° | 120.0° |
CBB | CBA | NAV | HBA2 | 119.0° | 119.9° |
CBB | CBA | NAV | CAU | 134.0° | 177.6° |
CBA | CBB | HBB1 | HBB2 | 120.7° | 120.2° |
CBB | CBA | HBA1 | HBA2 | 119.1° | 120.1° |
CBA | NAV | CAU | NAP | 173.6° | 112.5° |
CBA | NAV | CAU | NAT | 5.1° | 67.3° |
CBA | NAV | CAQ | HAQ1 | 164.9° | 178.5° |
CBA | NAV | CAQ | HAQ2 | 75.9° | 61.3° |
NAV | CBA | CBB | HBB1 | 176.2° | 176.8° |
NAV | CBA | CBB | HBB2 | 64.5° | 63.0° |
NAV | CBA | HBA1 | HBA2 | 119.0° | 120.1° |
NAV | CAU | NAP | NAT | 178.7° | 179.7° |
NAV | CAU | NAP | CAO | 177.1° | 180.0° |
NAV | CAU | NAT | CAS | 178.7° | 180.0° |
CAU | NAV | CAQ | HAQ1 | 18.8° | 57.7° |
CAU | NAV | CAQ | HAQ2 | 100.4° | 62.5° |
CAU | NAV | CBA | HBA1 | 106.0° | 62.4° |
CAU | NAV | CBA | HBA2 | 15.0° | 57.7° |
NAP | CAU | NAT | CAS | 0.0° | 0.3° |
CAU | NAP | CAO | NAN | 2.5° | 0.0° |
CAU | NAP | CAO | NAJ | 179.6° | 180.0° |
NAT | CAU | NAP | CAO | 1.6° | 0.3° |
CAU | NAT | CAS | NAY | 177.9° | 179.9° |
CAU | NAT | CAS | NAN | 0.7° | 0.0° |
NAP | CAO | NAN | CAS | 1.8° | 0.2° |
NAP | CAO | NAN | NAJ | 177.1° | 180.0° |
NAP | CAO | NAJ | CAK | 27.1° | 47.2° |
NAP | CAO | NAJ | CAD | 156.9° | 132.4° |
NAT | CAS | NAY | NAN | 178.6° | 180.0° |
NAT | CAS | NAY | CAZ | 0.5° | 180.0° |
NAT | CAS | NAY | CAX | 176.2° | 56.4° |
NAT | CAS | NAN | CAO | 0.2° | 0.2° |
CAS | NAY | CAZ | CAX | 176.6° | 123.7° |
CAS | NAY | CAZ | CAI | 131.9° | 177.6° |
CAS | NAY | CAX | CBC | 118.9° | 177.6° |
NAY | CAS | NAN | CAO | 178.8° | 179.8° |
CAS | NAY | CAZ | HAZ1 | 108.1° | 57.7° |
CAS | NAY | CAZ | HAZ2 | 12.4° | 62.4° |
CAS | NAY | CAX | HAX1 | 1.1° | 62.5° |
CAS | NAY | CAX | HAX2 | 120.8° | 57.7° |
NAN | CAS | NAY | CAZ | 179.1° | 0.0° |
NAN | CAS | NAY | CAX | 2.4° | 123.7° |
CAS | NAN | CAO | NAJ | 178.9° | 179.7° |
NAY | CAZ | CAI | HAZ1 | 120.0° | 119.9° |
NAY | CAZ | CAI | HAZ2 | 119.5° | 119.9° |
NAY | CAZ | CAI | OBD | 22.1° | 56.9° |
CAZ | NAY | CAX | CBC | 57.7° | 58.6° |
NAY | CAZ | HAZ1 | HAZ2 | 119.5° | 120.1° |
CAZ | NAY | CAX | HAX1 | 177.7° | 61.3° |
CAZ | NAY | CAX | HAX2 | 62.5° | 178.5° |
NAY | CAZ | CAI | HAI1 | 142.1° | 63.1° |
NAY | CAZ | CAI | HAI2 | 94.7° | 176.8° |
CAX | NAY | CAZ | CAI | 44.7° | 58.6° |
NAY | CAX | CBC | OBD | 45.8° | 56.8° |
NAY | CAX | CBC | HAX1 | 120.0° | 119.9° |
NAY | CAX | CBC | HAX2 | 120.2° | 119.9° |
CAX | NAY | CAZ | HAZ1 | 75.3° | 178.5° |
CAX | NAY | CAZ | HAZ2 | 164.2° | 61.3° |
NAY | CAX | HAX1 | HAX2 | 120.2° | 120.1° |
NAY | CAX | CBC | HBC1 | 165.8° | 63.1° |
NAY | CAX | CBC | HBC2 | 73.3° | 176.8° |
CAZ | CAI | OBD | HAI1 | 120.0° | 119.9° |
CAZ | CAI | OBD | HAI2 | 116.8° | 119.9° |
CAZ | CAI | OBD | CBC | 19.1° | 58.7° |
CAI | CAZ | HAZ1 | HAZ2 | 119.5° | 120.2° |
CAZ | CAI | HAI1 | HAI2 | 117.1° | 120.1° |
CAI | OBD | CBC | CAX | 31.3° | 58.7° |
OBD | CAI | CAZ | HAZ1 | 97.9° | 176.8° |
OBD | CAI | CAZ | HAZ2 | 141.6° | 63.0° |
OBD | CAI | HAI1 | HAI2 | 117.1° | 120.2° |
CAI | OBD | CBC | HBC1 | 151.3° | 61.3° |
CAI | OBD | CBC | HBC2 | 87.8° | 178.6° |
OBD | CBC | CAX | HBC1 | 120.0° | 119.9° |
OBD | CBC | CAX | HBC2 | 119.1° | 120.0° |
OBD | CBC | CAX | HAX1 | 165.7° | 63.1° |
OBD | CBC | CAX | HAX2 | 74.5° | 176.8° |
CBC | OBD | CAI | HAI1 | 139.1° | 61.3° |
CBC | OBD | CAI | HAI2 | 97.6° | 178.6° |
OBD | CBC | HBC1 | HBC2 | 119.1° | 120.1° |
CBC | CAX | HAX1 | HAX2 | 120.2° | 120.1° |
CAX | CBC | HBC1 | HBC2 | 119.1° | 120.1° |
NAN | CAO | NAJ | CAK | 149.9° | 132.8° |
NAN | CAO | NAJ | CAD | 26.1° | 47.6° |
CAO | NAJ | CAK | CAD | 176.6° | 179.7° |
CAO | NAJ | CAK | CAL | 3.1° | 0.1° |
CAO | NAJ | CAK | CAF | 178.4° | 180.0° |
CAO | NAJ | CAD | NAE | 179.7° | 179.9° |
CAO | NAJ | CAD | CAC | 6.6° | 0.0° |
NAJ | CAK | CAL | CAF | 178.4° | 179.9° |
NAJ | CAK | CAL | CAM | 178.2° | 180.0° |
NAJ | CAK | CAF | CAG | 178.5° | 179.9° |
NAJ | CAK | CAF | NAE | 0.2° | 0.0° |
CAK | NAJ | CAD | NAE | 3.1° | 0.4° |
CAK | NAJ | CAD | CAC | 176.8° | 179.7° |
NAJ | CAK | CAL | HAL | 1.7° | 0.1° |
CAD | NAJ | CAK | CAL | 179.7° | 179.8° |
CAD | NAJ | CAK | CAF | 1.7° | 0.3° |
NAJ | CAD | NAE | CAF | 3.2° | 0.4° |
NAJ | CAD | NAE | CAC | 173.9° | 179.9° |
NAJ | CAD | CAC | FA | 175.0° | 156.8° |
NAJ | CAD | CAC | FB | 69.0° | 36.8° |
NAJ | CAD | CAC | HAC | 60.2° | 83.2° |
CAK | CAL | CAM | HAL | 180.0° | 179.9° |
CAK | CAL | CAM | CAH | 0.4° | 0.1° |
CAL | CAK | CAF | CAG | 0.3° | 0.0° |
CAL | CAK | CAF | NAE | 178.6° | 180.0° |
CAK | CAL | CAM | HAM | 179.6° | 180.0° |
CAF | CAK | CAL | CAM | 0.2° | 0.0° |
CAK | CAF | CAG | CAH | 0.7° | 0.0° |
CAK | CAF | CAG | NAE | 177.9° | 180.0° |
CAK | CAF | NAE | CAD | 2.0° | 0.2° |
CAF | CAK | CAL | HAL | 179.9° | 180.0° |
CAK | CAF | CAG | HAG | 179.3° | 179.9° |
CAL | CAM | CAH | HAM | 180.0° | 180.0° |
CAL | CAM | CAH | CAG | 0.8° | 0.0° |
CAL | CAM | CAH | HAH | 179.2° | 180.0° |
CAM | CAH | CAG | HAH | 180.0° | 179.9° |
CAM | CAH | CAG | CAF | 1.0° | 0.0° |
CAH | CAM | CAL | HAL | 179.6° | 180.0° |
CAM | CAH | CAG | HAG | 179.0° | 180.0° |
CAH | CAG | CAF | HAG | 180.0° | 180.0° |
CAH | CAG | CAF | NAE | 178.6° | 180.0° |
CAG | CAH | CAM | HAM | 179.2° | 180.0° |
CAG | CAF | NAE | CAD | 179.9° | 179.8° |
CAF | CAG | CAH | HAH | 179.0° | 180.0° |
CAF | NAE | CAD | CAC | 177.1° | 179.7° |
NAE | CAF | CAG | HAG | 1.4° | 0.0° |
NAE | CAD | CAC | FA | 2.0° | 23.3° |
NAE | CAD | CAC | FB | 103.9° | 143.3° |
NAE | CAD | CAC | HAC | 126.8° | 96.7° |
CAD | CAC | FA | FB | 105.5° | 120.0° |
CAD | CAC | FA | HAC | 125.1° | 120.0° |
CAD | CAC | FB | HAC | 122.8° | 119.9° |
FA | CAC | FB | HAC | 122.6° | 120.0° |
HAQ1 | CAQ | CAR | HAR1 | 70.1° | 63.3° |
HAQ1 | CAQ | CAR | HAR2 | 51.9° | 56.9° |
HAQ2 | CAQ | CAR | HAR1 | 49.1° | 56.8° |
HAQ2 | CAQ | CAR | HAR2 | 171.1° | 177.0° |
HBB1 | CBB | CBA | HBA1 | 56.2° | 56.8° |
HBB1 | CBB | CBA | HBA2 | 64.8° | 63.3° |
HBB2 | CBB | CBA | HBA1 | 175.5° | 177.0° |
HBB2 | CBB | CBA | HBA2 | 54.5° | 56.9° |
HAZ1 | CAZ | CAI | HAI1 | 22.1° | 56.8° |
HAZ1 | CAZ | CAI | HAI2 | 145.3° | 63.3° |
HAZ2 | CAZ | CAI | HAI1 | 98.4° | 177.0° |
HAZ2 | CAZ | CAI | HAI2 | 24.8° | 56.9° |
HAX1 | CAX | CBC | HBC1 | 74.3° | 177.0° |
HAX1 | CAX | CBC | HBC2 | 46.7° | 56.9° |
HAX2 | CAX | CBC | HBC1 | 45.5° | 56.8° |
HAX2 | CAX | CBC | HBC2 | 166.5° | 63.3° |
HAL | CAL | CAM | HAM | 0.4° | 0.0° |
HAM | CAM | CAH | HAH | 0.8° | 0.0° |
HAH | CAH | CAG | HAG | 1.0° | 0.1° |