matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x3305.mol

Summary

Maintainability
Test Coverage
x3305
     RDKit          3D

 26 28  0  0  0  0  0  0  0  0999 V2000
    4.5920   -6.3560   23.5620 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4840   -7.1610   24.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0300   -3.2070   20.7140 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9680   -5.1400   23.9820 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8150   -2.5170   22.7090 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0970   -4.8490   23.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5440   -1.5290   20.7520 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0750   -3.7320   23.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0460    1.4130   17.1760 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7350   -2.4460   21.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3380   -5.8810   22.4270 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6080   -0.7720   21.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4230   -6.8050   22.6020 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6040   -1.6720   22.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8690   -0.9670   22.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8390    0.0340   23.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0010    0.6980   23.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2020    0.3750   23.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2470   -0.6250   22.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0890   -1.2980   22.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4800   -1.3710   19.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6110   -0.2170   18.8510 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6030    0.2810   19.6620 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8240    1.3390   19.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0770    1.8650   17.9820 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7890    0.3910   17.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  4  1  0
  4  6  2  0
  5  8  1  0
  6  8  1  0
  3 10  2  0
  5 10  1  0
  7 10  1  0
  6 11  1  0
  7 12  1  0
  1 13  1  0
 11 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 15 20  1  0
 19 20  2  0
  7 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
  9 25  2  0
 24 25  1  0
  9 26  1  0
 22 26  2  0
M  END