matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x1418.mol

Summary

Maintainability
Test Coverage
x1418
     RDKit          3D

 16 17  0  0  0  0  0  0  0  0999 V2000
    6.8760   -2.5430   20.8310 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1430   -2.5130   18.3820 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8560   -4.1140   19.5980 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5530   -3.1040   19.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7140   -2.2680   22.9890 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5910   -1.2870   21.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9080   -1.5850   21.7060 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0180   -2.6210   23.5710 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9840   -1.4840   23.6090 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0750   -1.2400   22.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7610   -0.0580   23.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0820    0.6620   24.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9290   -3.4900   22.7840 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6130   -3.1940   22.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8510   -0.2520   24.7970 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7950   -3.2060   18.1510 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0
  2  4  1  0
  3  4  2  0
  1  6  1  0
  5  7  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
  5 13  1  0
  1 14  1  0
 13 14  1  0
  9 15  1  0
 12 15  1  0
  2 16  1  0
M  END