matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x3351.mol

Summary

Maintainability
Test Coverage
x3351
     RDKit          3D

 13 14  0  0  0  0  0  0  0  0999 V2000
   10.0760   25.1920    0.2890 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2520   23.8380   -0.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7980   25.7910   -0.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1140   23.6920    1.3500 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6510   24.8680    0.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0870   24.6500    1.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0260   23.2680    0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2200   22.2990   -0.5370 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3690   22.0370   -1.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3040   22.7550   -2.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1130   23.7240   -2.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750   23.9910   -0.6970 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290   22.5060   -3.9360 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  3  1  0
  3  5  1  0
  4  6  1  0
  5  6  2  0
  4  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
  5 12  1  0
  7 12  1  0
 11 12  2  0
 10 13  1  0
M  END