matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x2964.mol

Summary

Maintainability
Test Coverage
x2964
     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.5870    2.0920   19.4620 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7380    1.3990   19.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0690    1.1950   20.9180 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2360   -1.4620   21.3150 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2510    1.2910   17.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3690    0.6280   17.5690 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0380    0.0450   18.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4600   -0.4310   20.9190 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6360    0.0950   19.9000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3110   -0.6520   22.2330 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6360    0.1260   21.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6380   -0.4040   22.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9310    0.6440   23.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2420    1.0700   23.6570 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2660    0.4440   22.9620 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9580   -0.6320   22.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6620   -1.0760   21.9890 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4590    0.7740   20.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  5  2  0
  5  6  1  0
  6  7  2  0
  7  9  1  0
  8  9  1  0
  3 11  2  0
  8 11  1  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
  4 16  1  0
 15 16  1  0
 12 17  1  0
 16 17  2  0
  2 18  1  0
  9 18  2  0
M  END