ZYW
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
BR | CAM | sing | 1.89Å | 1.88Å | |
CAM | CAC | sing | 1.38Å | 1.39Å | Aromatic |
CAM | CAN | doub | 1.39Å | 1.38Å | Aromatic |
CAC | NAJ | doub | 1.32Å | 1.32Å | Aromatic |
NAJ | CAP | sing | 1.33Å | 1.33Å | Aromatic |
CAP | NAK | sing | 1.37Å | 1.32Å | Aromatic |
CAP | CAO | doub | 1.41Å | 1.38Å | Aromatic |
NAK | NAI | sing | 1.40Å | 1.23Å | Aromatic |
NAI | CAD | doub | 1.30Å | 1.33Å | Aromatic |
CAD | CAO | sing | 1.41Å | 1.32Å | Aromatic |
CAO | CAN | sing | 1.41Å | 1.38Å | Aromatic |
CAN | NAQ | sing | 1.39Å | 1.40Å | |
NAQ | CAH | sing | 1.47Å | 1.48Å | |
NAQ | CAG | sing | 1.47Å | 1.47Å | |
CAH | CAR | sing | 1.53Å | 1.55Å | |
CAG | CAF | sing | 1.53Å | 1.53Å | |
CAF | OAL | sing | 1.43Å | 1.42Å | |
OAL | CAR | sing | 1.43Å | 1.41Å | |
CAR | CAE | sing | 1.53Å | 1.55Å | |
CAE | NAA | sing | 1.47Å | 1.47Å | |
CAC | HAC | sing | 1.08Å | 1.08Å | |
NAK | HAK | sing | 0.97Å | 1.00Å | |
CAD | HAD | sing | 1.08Å | 1.08Å | |
CAH | HAH1 | sing | 1.09Å | 1.10Å | |
CAH | HAH2 | sing | 1.09Å | 1.10Å | |
CAG | HAG1 | sing | 1.09Å | 1.10Å | |
CAG | HAG2 | sing | 1.09Å | 1.10Å | |
CAR | HAR | sing | 1.09Å | 1.10Å | |
CAF | HAF1 | sing | 1.09Å | 1.10Å | |
CAF | HAF2 | sing | 1.09Å | 1.10Å | |
CAE | HAE1 | sing | 1.09Å | 1.10Å | |
CAE | HAE2 | sing | 1.09Å | 1.10Å | |
NAA | HAA1 | sing | 1.01Å | 1.00Å | |
NAA | HAA2 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
BR | CAM | CAC | 119.1° | 120.3° |
BR | CAM | CAN | 121.2° | 120.3° |
CAC | CAM | CAN | 119.7° | 119.4° |
CAM | CAC | NAJ | 121.3° | 121.6° |
CAM | CAC | HAC | 119.3° | 119.2° |
CAM | CAN | CAO | 117.3° | 118.0° |
CAM | CAN | NAQ | 122.2° | 121.0° |
CAC | NAJ | CAP | 120.5° | 121.8° |
NAJ | CAC | HAC | 119.3° | 119.2° |
NAJ | CAP | NAK | 132.5° | 133.4° |
NAJ | CAP | CAO | 120.6° | 120.2° |
NAK | CAP | CAO | 106.8° | 106.4° |
CAP | NAK | NAI | 109.6° | 108.2° |
CAP | NAK | HAK | 125.2° | 125.9° |
CAP | CAO | CAD | 105.2° | 107.1° |
CAP | CAO | CAN | 120.5° | 119.0° |
NAK | NAI | CAD | 110.7° | 109.7° |
NAI | NAK | HAK | 125.2° | 125.9° |
NAI | CAD | CAO | 107.7° | 108.5° |
NAI | CAD | HAD | 126.2° | 125.8° |
CAD | CAO | CAN | 134.3° | 133.8° |
CAO | CAD | HAD | 126.2° | 125.7° |
CAO | CAN | NAQ | 120.6° | 121.0° |
CAN | NAQ | CAH | 123.3° | 111.0° |
CAN | NAQ | CAG | 118.5° | 111.0° |
CAH | NAQ | CAG | 118.1° | 110.8° |
NAQ | CAH | CAR | 107.7° | 109.3° |
NAQ | CAH | HAH1 | 110.1° | 109.5° |
NAQ | CAH | HAH2 | 110.5° | 109.5° |
NAQ | CAG | CAF | 111.7° | 109.2° |
NAQ | CAG | HAG1 | 108.8° | 109.5° |
NAQ | CAG | HAG2 | 108.2° | 109.5° |
CAH | CAR | OAL | 104.0° | 109.2° |
CAH | CAR | CAE | 122.1° | 109.5° |
CAR | CAH | HAH1 | 110.1° | 109.5° |
CAR | CAH | HAH2 | 110.5° | 109.5° |
CAH | CAR | HAR | 104.4° | 109.5° |
CAG | CAF | OAL | 110.0° | 109.3° |
CAF | CAG | HAG1 | 108.7° | 109.5° |
CAF | CAG | HAG2 | 108.2° | 109.5° |
CAG | CAF | HAF1 | 109.3° | 109.5° |
CAG | CAF | HAF2 | 109.2° | 109.5° |
CAF | OAL | CAR | 107.3° | 113.7° |
OAL | CAF | HAF1 | 109.3° | 109.5° |
OAL | CAF | HAF2 | 109.2° | 109.5° |
OAL | CAR | CAE | 107.9° | 109.5° |
OAL | CAR | HAR | 119.5° | 109.5° |
CAR | CAE | NAA | 112.7° | 109.5° |
CAE | CAR | HAR | 100.2° | 109.6° |
CAR | CAE | HAE1 | 108.4° | 109.5° |
CAR | CAE | HAE2 | 107.7° | 109.5° |
NAA | CAE | HAE1 | 108.4° | 109.5° |
NAA | CAE | HAE2 | 107.7° | 109.5° |
CAE | NAA | HAA1 | 109.5° | 111.0° |
CAE | NAA | HAA2 | 109.5° | 111.0° |
HAH1 | CAH | HAH2 | 108.0° | 109.5° |
HAG1 | CAG | HAG2 | 111.2° | 109.6° |
HAF1 | CAF | HAF2 | 109.9° | 109.6° |
HAE1 | CAE | HAE2 | 112.0° | 109.4° |
HAA1 | NAA | HAA2 | 109.4° | 111.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
BR | CAM | CAC | CAN | 179.7° | 179.8° |
BR | CAM | CAC | NAJ | 180.0° | 180.0° |
BR | CAM | CAN | CAO | 179.8° | 179.8° |
BR | CAM | CAN | NAQ | 0.6° | 0.1° |
BR | CAM | CAC | HAC | 0.0° | 0.0° |
CAM | CAC | NAJ | HAC | 180.0° | 180.0° |
CAM | CAC | NAJ | CAP | 0.1° | 0.0° |
CAC | CAM | CAN | CAO | 0.4° | 0.4° |
CAC | CAM | CAN | NAQ | 179.7° | 179.7° |
CAN | CAM | CAC | NAJ | 0.2° | 0.3° |
CAM | CAN | CAO | CAP | 0.5° | 0.4° |
CAM | CAN | CAO | CAD | 179.9° | 179.9° |
CAM | CAN | CAO | NAQ | 179.2° | 179.9° |
CAM | CAN | NAQ | CAH | 51.2° | 116.3° |
CAM | CAN | NAQ | CAG | 130.7° | 120.1° |
CAN | CAM | CAC | HAC | 179.7° | 179.8° |
CAC | NAJ | CAP | NAK | 179.8° | 180.0° |
CAC | NAJ | CAP | CAO | 0.2° | 0.0° |
NAJ | CAP | NAK | CAO | 180.0° | 180.0° |
NAJ | CAP | NAK | NAI | 180.0° | 180.0° |
NAJ | CAP | CAO | CAD | 180.0° | 180.0° |
NAJ | CAP | CAO | CAN | 0.4° | 0.2° |
CAP | NAJ | CAC | HAC | 179.9° | 180.0° |
NAJ | CAP | NAK | HAK | 0.0° | 0.0° |
CAP | NAK | NAI | HAK | 180.0° | 180.0° |
CAP | NAK | NAI | CAD | 0.0° | 0.0° |
NAK | CAP | CAO | CAD | 0.0° | 0.0° |
NAK | CAP | CAO | CAN | 179.6° | 179.8° |
CAO | CAP | NAK | NAI | 0.0° | 0.0° |
CAP | CAO | CAD | NAI | 0.0° | 0.0° |
CAP | CAO | CAD | CAN | 179.5° | 179.7° |
CAP | CAO | CAN | NAQ | 179.8° | 179.7° |
CAO | CAP | NAK | HAK | 180.0° | 180.0° |
CAP | CAO | CAD | HAD | 180.0° | 180.0° |
NAK | NAI | CAD | CAO | 0.0° | 0.0° |
NAK | NAI | CAD | HAD | 180.0° | 180.0° |
NAI | CAD | CAO | HAD | 180.0° | 179.9° |
NAI | CAD | CAO | CAN | 179.5° | 179.8° |
CAD | NAI | NAK | HAK | 180.0° | 180.0° |
CAD | CAO | CAN | NAQ | 0.8° | 0.0° |
CAO | CAN | NAQ | CAH | 129.6° | 63.9° |
CAO | CAN | NAQ | CAG | 48.5° | 59.8° |
CAN | CAO | CAD | HAD | 0.6° | 0.3° |
CAN | NAQ | CAH | CAG | 178.1° | 123.8° |
CAN | NAQ | CAH | CAR | 134.7° | 177.6° |
CAN | NAQ | CAG | CAF | 144.1° | 177.6° |
CAN | NAQ | CAH | HAH1 | 105.2° | 62.4° |
CAN | NAQ | CAH | HAH2 | 14.0° | 57.7° |
CAN | NAQ | CAG | HAG1 | 24.1° | 57.7° |
CAN | NAQ | CAG | HAG2 | 96.9° | 62.5° |
NAQ | CAH | CAR | HAH1 | 120.0° | 119.9° |
NAQ | CAH | CAR | HAH2 | 120.7° | 120.0° |
CAH | NAQ | CAG | CAF | 34.2° | 58.6° |
NAQ | CAH | CAR | OAL | 62.8° | 56.8° |
NAQ | CAH | CAR | CAE | 175.3° | 176.8° |
NAQ | CAH | HAH1 | HAH2 | 120.7° | 120.1° |
CAH | NAQ | CAG | HAG1 | 154.2° | 178.5° |
CAH | NAQ | CAG | HAG2 | 84.9° | 61.3° |
NAQ | CAH | CAR | HAR | 63.2° | 63.1° |
CAG | NAQ | CAH | CAR | 43.4° | 58.6° |
NAQ | CAG | CAF | HAG1 | 120.0° | 119.9° |
NAQ | CAG | CAF | HAG2 | 119.0° | 119.9° |
NAQ | CAG | CAF | OAL | 44.1° | 56.8° |
CAG | NAQ | CAH | HAH1 | 76.6° | 61.3° |
CAG | NAQ | CAH | HAH2 | 164.1° | 178.6° |
NAQ | CAG | HAG1 | HAG2 | 119.1° | 120.1° |
NAQ | CAG | CAF | HAF1 | 75.9° | 63.1° |
NAQ | CAG | CAF | HAF2 | 163.9° | 176.8° |
CAH | CAR | OAL | CAF | 78.3° | 58.7° |
CAH | CAR | OAL | CAE | 130.9° | 119.9° |
CAH | CAR | OAL | HAR | 115.8° | 119.9° |
CAH | CAR | CAE | HAR | 114.2° | 120.1° |
CAH | CAR | CAE | NAA | 21.2° | 180.0° |
CAR | CAH | HAH1 | HAH2 | 120.7° | 120.1° |
CAH | CAR | CAE | HAE1 | 98.8° | 60.0° |
CAH | CAR | CAE | HAE2 | 139.8° | 60.0° |
CAG | CAF | OAL | HAF1 | 120.0° | 119.9° |
CAG | CAF | OAL | HAF2 | 119.8° | 119.9° |
CAG | CAF | OAL | CAR | 69.2° | 58.7° |
CAF | CAG | HAG1 | HAG2 | 119.1° | 120.1° |
CAG | CAF | HAF1 | HAF2 | 119.8° | 120.1° |
CAF | OAL | CAR | CAE | 150.8° | 178.6° |
OAL | CAF | CAG | HAG1 | 164.1° | 176.8° |
OAL | CAF | CAG | HAG2 | 74.9° | 63.1° |
CAF | OAL | CAR | HAR | 37.4° | 61.2° |
OAL | CAF | HAF1 | HAF2 | 119.8° | 120.1° |
OAL | CAR | CAE | HAR | 125.7° | 120.1° |
OAL | CAR | CAE | NAA | 98.8° | 60.2° |
OAL | CAR | CAH | HAH1 | 57.2° | 63.1° |
OAL | CAR | CAH | HAH2 | 176.5° | 176.8° |
CAR | OAL | CAF | HAF1 | 50.8° | 61.2° |
CAR | OAL | CAF | HAF2 | 171.0° | 178.6° |
OAL | CAR | CAE | HAE1 | 141.2° | 59.8° |
OAL | CAR | CAE | HAE2 | 19.8° | 179.8° |
CAR | CAE | NAA | HAE1 | 120.0° | 120.0° |
CAR | CAE | NAA | HAE2 | 118.6° | 120.0° |
CAE | CAR | CAH | HAH1 | 64.7° | 56.8° |
CAE | CAR | CAH | HAH2 | 54.6° | 63.3° |
CAR | CAE | HAE1 | HAE2 | 118.7° | 120.0° |
CAR | CAE | NAA | HAA1 | 9.9° | 179.9° |
CAR | CAE | NAA | HAA2 | 110.1° | 56.0° |
NAA | CAE | CAR | HAR | 135.4° | 59.9° |
NAA | CAE | HAE1 | HAE2 | 118.7° | 120.0° |
CAE | NAA | HAA1 | HAA2 | 120.0° | 124.0° |
HAH1 | CAH | CAR | HAR | 176.8° | 177.0° |
HAH2 | CAH | CAR | HAR | 57.5° | 56.9° |
HAG1 | CAG | CAF | HAF1 | 44.2° | 56.8° |
HAG1 | CAG | CAF | HAF2 | 76.1° | 63.3° |
HAG2 | CAG | CAF | HAF1 | 165.1° | 177.0° |
HAG2 | CAG | CAF | HAF2 | 44.9° | 56.9° |
HAR | CAR | CAE | HAE1 | 15.4° | 179.9° |
HAR | CAR | CAE | HAE2 | 106.0° | 60.1° |
HAE1 | CAE | NAA | HAA1 | 130.0° | 59.9° |
HAE1 | CAE | NAA | HAA2 | 9.9° | 176.0° |
HAE2 | CAE | NAA | HAA1 | 108.7° | 60.0° |
HAE2 | CAE | NAA | HAA2 | 131.3° | 64.0° |