matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10334.mol

Summary

Maintainability
Test Coverage
x10334
     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.3080    0.5590   17.5910 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0200    1.3170   21.6290 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0400    0.7870   21.0290 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7970   -2.0050   21.2330 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4730    1.0370   20.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1740   -0.5240   21.0120 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8790    1.6840   19.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3210    1.4220   17.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9040   -0.0910   18.5980 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9950   -1.0490   18.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5050    0.1340   19.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3860   -0.1470   21.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8930   -0.9790   22.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3730   -0.7830   22.8900 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    0.1160   23.8450 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1800    0.4040   23.9620 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0990   -0.2110   23.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6450   -1.1380   22.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3020   -1.4320   22.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0
  5  7  2  0
  1  8  2  0
  7  8  1  0
  1  9  1  0
  9 10  1  0
  5 11  1  0
  6 11  1  0
  9 11  2  0
  3 12  2  0
  6 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
  4 18  1  0
 17 18  1  0
 14 19  1  0
 18 19  2  0
M  END