matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0395.mol

Summary

Maintainability
Test Coverage
x0395
     RDKit          3D

 14 15  0  0  0  0  0  0  0  0999 V2000
    9.3090   -5.4020   26.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0680   -4.0250   25.6350 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4980   -2.9500   26.2850 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4110   -1.7730   25.3930 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9310   -2.0530   24.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9990   -1.0500   22.9730 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1210   -0.4790   22.8550 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4610    0.3230   23.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7810    1.2260   23.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8090    0.4740   22.9000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4890   -0.7970   22.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2620   -1.4540   22.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4550   -3.6100   24.0920 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.4780   -1.5170   21.5690 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
  7 12  1  0
 11 12  1  0
  2 13  1  0
  5 13  1  0
 11 14  1  0
M  END