ZZP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAY | OBE | sing | 1.43Å | 1.43Å | |
OBE | CAK | sing | 1.35Å | 1.36Å | |
CAK | CBF | doub | 1.38Å | 1.40Å | |
CAK | CAW | sing | 1.41Å | 1.40Å | |
CBF | CAZ | sing | 1.40Å | 1.40Å | |
CAW | CBB | doub | 1.34Å | 1.40Å | |
CBB | OBC | sing | 1.35Å | 1.37Å | |
CBB | CBA | sing | 1.51Å | 1.40Å | |
OBC | CBD | sing | 1.43Å | 1.46Å | |
CBA | CAZ | sing | 1.51Å | 1.40Å | |
CAZ | NAX | doub | 1.32Å | 1.33Å | |
NAX | CAR | sing | 1.36Å | 1.34Å | |
CAR | NAS | sing | 1.33Å | 1.36Å | Aromatic |
CAR | CAM | doub | 1.47Å | 1.40Å | Aromatic |
NAS | CAT | doub | 1.34Å | 1.35Å | Aromatic |
CAT | CAU | sing | 1.41Å | 1.39Å | Aromatic |
CAT | CAO | sing | 1.42Å | 1.39Å | Aromatic |
CAU | CAV | doub | 1.36Å | 1.40Å | Aromatic |
CAV | CAQ | sing | 1.39Å | 1.39Å | Aromatic |
CAQ | CAP | doub | 1.36Å | 1.40Å | Aromatic |
CAP | CAO | sing | 1.40Å | 1.40Å | Aromatic |
CAO | NAN | doub | 1.34Å | 1.34Å | Aromatic |
NAN | CAM | sing | 1.32Å | 1.33Å | Aromatic |
CAM | NAL | sing | 1.38Å | 1.34Å | |
NAL | SAI | sing | 1.66Å | 1.67Å | |
SAI | OAJ | doub | 1.42Å | 1.48Å | |
SAI | OAH | doub | 1.42Å | 1.53Å | |
SAI | CAG | sing | 1.76Å | 1.75Å | |
CAG | CAF | sing | 1.38Å | 1.39Å | Aromatic |
CAG | CAD | doub | 1.38Å | 1.40Å | Aromatic |
CAF | CAE | doub | 1.38Å | 1.39Å | Aromatic |
CAE | CAB | sing | 1.38Å | 1.40Å | Aromatic |
CAB | FAA | sing | 1.35Å | 1.34Å | |
CAB | CAC | doub | 1.39Å | 1.40Å | Aromatic |
CAC | CAD | sing | 1.38Å | 1.40Å | Aromatic |
CAY | HAY1 | sing | 1.09Å | 1.10Å | |
CAY | HAY2 | sing | 1.09Å | 1.10Å | |
CAY | HAY3 | sing | 1.09Å | 1.10Å | |
CBF | HBF | sing | 1.08Å | 1.08Å | |
CAW | HAW | sing | 1.08Å | 1.08Å | |
CBA | HBA1 | sing | 1.09Å | 1.10Å | |
CBA | HBA2 | sing | 1.09Å | 1.10Å | |
CBD | HBD1 | sing | 1.09Å | 1.10Å | |
CBD | HBD2 | sing | 1.09Å | 1.10Å | |
CBD | HBD3 | sing | 1.09Å | 1.10Å | |
CAU | HAU | sing | 1.08Å | 1.08Å | |
CAV | HAV | sing | 1.08Å | 1.08Å | |
CAQ | HAQ | sing | 1.08Å | 1.08Å | |
CAP | HAP | sing | 1.08Å | 1.08Å | |
NAL | HAL | sing | 0.97Å | 1.00Å | |
CAF | HAF | sing | 1.08Å | 1.08Å | |
CAD | HAD | sing | 1.08Å | 1.08Å | |
CAE | HAE | sing | 1.08Å | 1.08Å | |
CAC | HAC | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAY | OBE | CAK | 115.9° | 117.0° |
OBE | CAY | HAY1 | 109.5° | 109.4° |
OBE | CAY | HAY2 | 109.5° | 109.5° |
OBE | CAY | HAY3 | 109.4° | 109.4° |
OBE | CAK | CBF | 122.8° | 118.5° |
OBE | CAK | CAW | 116.5° | 118.4° |
CBF | CAK | CAW | 120.6° | 123.1° |
CAK | CBF | CAZ | 119.4° | 120.9° |
CAK | CBF | HBF | 120.3° | 119.6° |
CAK | CAW | CBB | 119.8° | 121.9° |
CAK | CAW | HAW | 120.1° | 119.0° |
CBF | CAZ | CBA | 119.7° | 118.0° |
CBF | CAZ | NAX | 125.3° | 120.9° |
CAZ | CBF | HBF | 120.3° | 119.5° |
CAW | CBB | OBC | 120.6° | 120.6° |
CAW | CBB | CBA | 119.4° | 118.8° |
CBB | CAW | HAW | 120.1° | 119.1° |
OBC | CBB | CBA | 120.0° | 120.6° |
CBB | OBC | CBD | 113.1° | 117.0° |
CBB | CBA | CAZ | 121.1° | 117.4° |
CBB | CBA | HBA1 | 105.8° | 107.9° |
CBB | CBA | HBA2 | 103.0° | 107.9° |
OBC | CBD | HBD1 | 109.5° | 109.5° |
OBC | CBD | HBD2 | 109.5° | 109.5° |
OBC | CBD | HBD3 | 109.5° | 109.5° |
CBA | CAZ | NAX | 115.0° | 121.0° |
CAZ | CBA | HBA1 | 105.8° | 107.7° |
CAZ | CBA | HBA2 | 103.0° | 108.0° |
CAZ | NAX | CAR | 128.6° | 120.0° |
NAX | CAR | NAS | 122.7° | 120.2° |
NAX | CAR | CAM | 118.3° | 120.2° |
NAS | CAR | CAM | 119.0° | 119.6° |
CAR | NAS | CAT | 120.4° | 119.9° |
CAR | CAM | NAN | 119.4° | 119.7° |
CAR | CAM | NAL | 122.1° | 120.1° |
NAS | CAT | CAU | 121.1° | 120.3° |
NAS | CAT | CAO | 119.9° | 120.4° |
CAU | CAT | CAO | 119.0° | 119.3° |
CAT | CAU | CAV | 120.7° | 119.8° |
CAT | CAU | HAU | 119.7° | 120.1° |
CAT | CAO | CAP | 121.0° | 119.2° |
CAT | CAO | NAN | 119.2° | 120.4° |
CAU | CAV | CAQ | 120.0° | 120.9° |
CAV | CAU | HAU | 119.7° | 120.1° |
CAU | CAV | HAV | 120.0° | 119.5° |
CAV | CAQ | CAP | 119.9° | 120.9° |
CAQ | CAV | HAV | 120.0° | 119.6° |
CAV | CAQ | HAQ | 120.1° | 119.6° |
CAQ | CAP | CAO | 119.4° | 119.9° |
CAP | CAQ | HAQ | 120.0° | 119.5° |
CAQ | CAP | HAP | 120.3° | 120.1° |
CAP | CAO | NAN | 119.8° | 120.3° |
CAO | CAP | HAP | 120.3° | 120.0° |
CAO | NAN | CAM | 122.1° | 120.1° |
NAN | CAM | NAL | 118.5° | 120.2° |
CAM | NAL | SAI | 122.1° | 120.0° |
CAM | NAL | HAL | 105.5° | 120.0° |
NAL | SAI | OAJ | 109.3° | 106.4° |
NAL | SAI | OAH | 109.9° | 106.4° |
NAL | SAI | CAG | 107.4° | 107.2° |
SAI | NAL | HAL | 105.5° | 120.0° |
OAJ | SAI | OAH | 111.0° | 123.2° |
OAJ | SAI | CAG | 109.7° | 106.4° |
OAH | SAI | CAG | 109.3° | 106.4° |
SAI | CAG | CAF | 119.9° | 120.0° |
SAI | CAG | CAD | 119.0° | 119.9° |
CAF | CAG | CAD | 121.1° | 120.1° |
CAG | CAF | CAE | 119.5° | 120.1° |
CAG | CAF | HAF | 120.3° | 120.0° |
CAG | CAD | CAC | 120.0° | 120.0° |
CAG | CAD | HAD | 120.0° | 120.0° |
CAF | CAE | CAB | 119.3° | 120.0° |
CAE | CAF | HAF | 120.3° | 120.0° |
CAF | CAE | HAE | 120.3° | 120.0° |
CAE | CAB | FAA | 118.9° | 120.0° |
CAE | CAB | CAC | 121.6° | 119.9° |
CAB | CAE | HAE | 120.3° | 120.0° |
FAA | CAB | CAC | 119.5° | 120.0° |
CAB | CAC | CAD | 118.5° | 120.0° |
CAB | CAC | HAC | 120.8° | 120.0° |
CAC | CAD | HAD | 120.0° | 120.0° |
CAD | CAC | HAC | 120.8° | 120.0° |
HAY1 | CAY | HAY2 | 109.4° | 109.5° |
HAY1 | CAY | HAY3 | 109.5° | 109.4° |
HAY2 | CAY | HAY3 | 109.5° | 109.5° |
HBA1 | CBA | HBA2 | 119.2° | 107.6° |
HBD1 | CBD | HBD2 | 109.5° | 109.5° |
HBD1 | CBD | HBD3 | 109.5° | 109.4° |
HBD2 | CBD | HBD3 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAY | OBE | CAK | CBF | 8.7° | 0.1° |
CAY | OBE | CAK | CAW | 171.8° | 179.8° |
OBE | CAY | HAY1 | HAY2 | 120.0° | 120.1° |
OBE | CAY | HAY1 | HAY3 | 120.0° | 119.9° |
OBE | CAY | HAY2 | HAY3 | 120.0° | 120.0° |
OBE | CAK | CBF | CAW | 179.4° | 179.7° |
OBE | CAK | CBF | CAZ | 179.3° | 180.0° |
OBE | CAK | CAW | CBB | 179.2° | 179.9° |
CAK | OBE | CAY | HAY1 | 137.5° | 60.1° |
CAK | OBE | CAY | HAY2 | 102.5° | 60.0° |
CAK | OBE | CAY | HAY3 | 17.5° | 180.0° |
OBE | CAK | CBF | HBF | 0.7° | 0.0° |
OBE | CAK | CAW | HAW | 0.8° | 0.0° |
CAK | CBF | CAZ | HBF | 180.0° | 180.0° |
CBF | CAK | CAW | CBB | 0.2° | 0.3° |
CAK | CBF | CAZ | CBA | 0.0° | 0.0° |
CAK | CBF | CAZ | NAX | 179.6° | 180.0° |
CBF | CAK | CAW | HAW | 179.8° | 179.7° |
CAW | CAK | CBF | CAZ | 0.1° | 0.3° |
CAK | CAW | CBB | HAW | 180.0° | 179.9° |
CAK | CAW | CBB | OBC | 179.8° | 180.0° |
CAK | CAW | CBB | CBA | 0.2° | 0.0° |
CAW | CAK | CBF | HBF | 179.9° | 179.7° |
CBF | CAZ | CBA | CBB | 0.1° | 0.2° |
CBF | CAZ | CBA | NAX | 179.7° | 180.0° |
CBF | CAZ | NAX | CAR | 8.6° | 5.6° |
CBF | CAZ | CBA | HBA1 | 120.1° | 122.1° |
CBF | CAZ | CBA | HBA2 | 114.1° | 121.9° |
CAW | CBB | OBC | CBA | 180.0° | 179.9° |
CAW | CBB | OBC | CBD | 166.7° | 0.1° |
CAW | CBB | CBA | CAZ | 0.2° | 0.3° |
CAW | CBB | CBA | HBA1 | 120.1° | 122.0° |
CAW | CBB | CBA | HBA2 | 114.1° | 122.0° |
OBC | CBB | CBA | CAZ | 179.8° | 179.8° |
OBC | CBB | CAW | HAW | 0.2° | 0.1° |
OBC | CBB | CBA | HBA1 | 59.8° | 58.1° |
OBC | CBB | CBA | HBA2 | 65.9° | 58.0° |
CBB | OBC | CBD | HBD1 | 74.6° | 60.0° |
CBB | OBC | CBD | HBD2 | 165.4° | 179.9° |
CBB | OBC | CBD | HBD3 | 45.4° | 60.0° |
CBA | CBB | OBC | CBD | 13.3° | 180.0° |
CBB | CBA | CAZ | HBA1 | 120.0° | 121.8° |
CBB | CBA | CAZ | HBA2 | 114.2° | 122.2° |
CBB | CBA | CAZ | NAX | 179.6° | 179.8° |
CBA | CBB | CAW | HAW | 179.8° | 180.0° |
CBB | CBA | HBA1 | HBA2 | 115.2° | 116.2° |
OBC | CBD | HBD1 | HBD2 | 120.0° | 120.0° |
OBC | CBD | HBD1 | HBD3 | 120.0° | 120.0° |
OBC | CBD | HBD2 | HBD3 | 120.0° | 120.0° |
CBA | CAZ | NAX | CAR | 171.7° | 174.3° |
CBA | CAZ | CBF | HBF | 179.9° | 180.0° |
CAZ | CBA | HBA1 | HBA2 | 115.2° | 116.3° |
CAZ | NAX | CAR | NAS | 0.4° | 94.1° |
CAZ | NAX | CAR | CAM | 179.9° | 86.2° |
NAX | CAZ | CBF | HBF | 0.4° | 0.1° |
NAX | CAZ | CBA | HBA1 | 59.6° | 57.9° |
NAX | CAZ | CBA | HBA2 | 66.2° | 58.1° |
NAX | CAR | NAS | CAM | 179.5° | 179.7° |
NAX | CAR | NAS | CAT | 178.6° | 180.0° |
NAX | CAR | CAM | NAN | 179.1° | 179.8° |
NAX | CAR | CAM | NAL | 0.0° | 0.0° |
CAR | NAS | CAT | CAU | 179.2° | 180.0° |
CAR | NAS | CAT | CAO | 1.4° | 0.0° |
NAS | CAR | CAM | NAN | 1.3° | 0.5° |
NAS | CAR | CAM | NAL | 179.5° | 179.7° |
CAM | CAR | NAS | CAT | 1.9° | 0.3° |
CAR | CAM | NAN | CAO | 0.2° | 0.4° |
CAR | CAM | NAN | NAL | 179.2° | 179.8° |
CAR | CAM | NAL | SAI | 171.8° | 180.0° |
CAR | CAM | NAL | HAL | 68.2° | 0.0° |
NAS | CAT | CAU | CAO | 179.5° | 180.0° |
NAS | CAT | CAU | CAV | 178.9° | 180.0° |
NAS | CAT | CAO | CAP | 179.1° | 180.0° |
NAS | CAT | CAO | NAN | 0.2° | 0.0° |
NAS | CAT | CAU | HAU | 1.2° | 0.1° |
CAT | CAU | CAV | HAU | 180.0° | 179.9° |
CAT | CAU | CAV | CAQ | 0.2° | 0.0° |
CAU | CAT | CAO | CAP | 0.4° | 0.0° |
CAU | CAT | CAO | NAN | 179.7° | 179.9° |
CAT | CAU | CAV | HAV | 179.8° | 180.0° |
CAO | CAT | CAU | CAV | 0.6° | 0.0° |
CAT | CAO | CAP | CAQ | 0.2° | 0.0° |
CAT | CAO | CAP | NAN | 179.3° | 179.9° |
CAT | CAO | NAN | CAM | 0.4° | 0.2° |
CAO | CAT | CAU | HAU | 179.4° | 179.9° |
CAT | CAO | CAP | HAP | 179.9° | 180.0° |
CAU | CAV | CAQ | HAV | 180.0° | 180.0° |
CAU | CAV | CAQ | CAP | 0.3° | 0.0° |
CAU | CAV | CAQ | HAQ | 179.6° | 180.0° |
CAV | CAQ | CAP | HAQ | 180.0° | 180.0° |
CAV | CAQ | CAP | CAO | 0.5° | 0.0° |
CAQ | CAV | CAU | HAU | 179.7° | 179.9° |
CAV | CAQ | CAP | HAP | 179.5° | 180.0° |
CAQ | CAP | CAO | HAP | 180.0° | 180.0° |
CAQ | CAP | CAO | NAN | 179.1° | 180.0° |
CAP | CAQ | CAV | HAV | 179.7° | 180.0° |
CAP | CAO | NAN | CAM | 179.7° | 179.8° |
CAO | CAP | CAQ | HAQ | 179.5° | 180.0° |
CAO | NAN | CAM | NAL | 179.4° | 179.8° |
NAN | CAO | CAP | HAP | 0.8° | 0.1° |
NAN | CAM | NAL | SAI | 7.3° | 0.2° |
NAN | CAM | NAL | HAL | 112.6° | 179.8° |
CAM | NAL | SAI | HAL | 120.0° | 179.9° |
CAM | NAL | SAI | OAJ | 172.0° | 178.5° |
CAM | NAL | SAI | OAH | 49.9° | 48.5° |
CAM | NAL | SAI | CAG | 69.0° | 65.0° |
NAL | SAI | OAJ | OAH | 121.5° | 123.0° |
NAL | SAI | OAJ | CAG | 117.5° | 114.0° |
NAL | SAI | OAH | CAG | 117.6° | 114.1° |
NAL | SAI | CAG | CAF | 132.6° | 90.0° |
NAL | SAI | CAG | CAD | 47.5° | 90.3° |
OAJ | SAI | OAH | CAG | 121.2° | 122.9° |
OAJ | SAI | CAG | CAF | 108.7° | 23.5° |
OAJ | SAI | CAG | CAD | 71.2° | 156.2° |
OAJ | SAI | NAL | HAL | 52.1° | 1.5° |
OAH | SAI | CAG | CAF | 13.3° | 156.5° |
OAH | SAI | CAG | CAD | 166.8° | 23.3° |
OAH | SAI | NAL | HAL | 70.1° | 131.5° |
SAI | CAG | CAF | CAD | 179.9° | 179.7° |
SAI | CAG | CAF | CAE | 179.5° | 180.0° |
SAI | CAG | CAD | CAC | 179.9° | 179.7° |
CAG | SAI | NAL | HAL | 171.1° | 115.0° |
SAI | CAG | CAF | HAF | 0.5° | 0.0° |
SAI | CAG | CAD | HAD | 0.1° | 0.0° |
CAG | CAF | CAE | HAF | 180.0° | 180.0° |
CAG | CAF | CAE | CAB | 0.3° | 0.0° |
CAF | CAG | CAD | CAC | 0.2° | 0.5° |
CAF | CAG | CAD | HAD | 179.8° | 179.7° |
CAG | CAF | CAE | HAE | 179.7° | 180.0° |
CAD | CAG | CAF | CAE | 0.6° | 0.3° |
CAG | CAD | CAC | CAB | 0.5° | 0.5° |
CAG | CAD | CAC | HAD | 180.0° | 179.7° |
CAD | CAG | CAF | HAF | 179.4° | 179.7° |
CAG | CAD | CAC | HAC | 179.5° | 179.8° |
CAF | CAE | CAB | HAE | 180.0° | 180.0° |
CAF | CAE | CAB | FAA | 179.9° | 180.0° |
CAF | CAE | CAB | CAC | 0.4° | 0.0° |
CAE | CAB | FAA | CAC | 179.5° | 180.0° |
CAE | CAB | CAC | CAD | 0.8° | 0.3° |
CAB | CAE | CAF | HAF | 179.7° | 180.0° |
CAE | CAB | CAC | HAC | 179.2° | 180.0° |
FAA | CAB | CAC | CAD | 179.7° | 179.7° |
FAA | CAB | CAE | HAE | 0.1° | 0.0° |
FAA | CAB | CAC | HAC | 0.3° | 0.0° |
CAB | CAC | CAD | HAC | 180.0° | 179.7° |
CAB | CAC | CAD | HAD | 179.5° | 179.7° |
CAC | CAB | CAE | HAE | 179.6° | 180.0° |
HAY1 | CAY | HAY2 | HAY3 | 120.0° | 120.0° |
HBD1 | CBD | HBD2 | HBD3 | 120.0° | 119.9° |
HAU | CAU | CAV | HAV | 0.3° | 0.1° |
HAV | CAV | CAQ | HAQ | 0.3° | 0.0° |
HAQ | CAQ | CAP | HAP | 0.5° | 0.0° |
HAF | CAF | CAE | HAE | 0.3° | 0.0° |
HAD | CAD | CAC | HAC | 0.5° | 0.0° |