matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x1101.mol

Summary

Maintainability
Test Coverage
x1101
     RDKit          3D

 30 32  0  0  0  0  0  0  0  0999 V2000
   23.7470   -8.0930    3.6380 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.1130   -7.2150    5.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6950   -7.2560    4.8730 C   0  0  2  0  0  0  0  0  0  0  0  0
   23.8070   -6.0260    2.3760 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.6110   -7.7160    5.8760 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3160   -5.8920   -0.0320 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.1520   -9.5190    3.8000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7770   -8.1510   -1.0330 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.9610   -7.4170    2.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8140   -9.4540   -0.6030 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.9910   -5.3730    1.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4630   -7.2790    0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0690   -7.7890   -2.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5360   -9.4520    0.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3000   -8.1070    1.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1330   21.8230   -2.2590 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.5300   23.3620   -4.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6590   22.5210   -3.5050 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.8330   19.7590   -3.4800 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.9100   23.4070   -3.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8240   17.5060   -2.5000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3100   22.5340   -0.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0320   17.5530   -0.0050 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.9900   20.3870   -2.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1430   18.5030    0.9830 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.7630   18.3850   -3.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9620   18.1400   -1.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0210   16.1130    0.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1560   19.7100    0.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0470   19.5700   -1.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0
  3  2  1  1
  3  5  1  0
  1  7  1  0
  1  9  1  0
  4  9  2  0
  8 10  1  0
  4 11  1  0
  6 11  2  0
  6 12  1  0
  8 12  1  0
  8 13  1  0
 10 14  2  0
  9 15  1  0
 12 15  2  0
 14 15  1  0
 16 18  1  0
 18 17  1  1
 18 20  1  0
 16 22  1  0
 16 24  1  0
 19 24  1  0
 23 25  1  0
 19 26  1  0
 21 26  1  0
 21 27  1  0
 23 27  1  0
 23 28  1  0
 25 29  1  0
 24 30  1  0
 27 30  1  0
 29 30  1  0
M  END