matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x2705.mol

Summary

Maintainability
Test Coverage
x2705
     RDKit          3D

 34 36  0  0  0  0  0  0  0  0999 V2000
    7.5010   -1.2160   21.7920 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2100   -4.4400   20.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5870   -2.2420   21.2050 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4280   -3.7060   21.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6030    2.1070   22.7170 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0270    1.4080   21.0720 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7570   -2.3640   21.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6260    0.2850   17.6710 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0130    0.1320   21.4330 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9890   -1.1810   24.3450 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0020    1.2700   21.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7200   -1.1710   23.8440 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2080    3.3740   22.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4410    3.4400   23.6200 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1520    2.2020   24.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4880    1.4830   25.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0260    4.6910   23.8010 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4160    5.8360   23.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2070    5.7480   22.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5690    4.5230   22.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2030    4.4600   21.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3710    0.2970   20.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0440   -0.0370   18.9010 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4740    0.9580   17.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7070    1.3100   18.6670 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1640    0.9650   19.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7100   -1.2870   22.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0120   -1.3960   22.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7720   -1.3230   23.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2790   -1.3950   23.4450 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.8060   -0.0820   24.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6460   -2.5190   24.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9410   -1.6570   22.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1960   -3.7480   18.9320 R   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0
  1  7  1  0
  3  7  2  0
  4  7  1  0
  1  9  1  0
  5 11  1  0
  6 11  2  0
  9 11  1  1
 10 12  1  0
  5 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  2  0
 18 19  1  0
 13 20  1  0
 19 20  2  0
 20 21  1  0
  9 22  1  0
  8 23  2  0
 22 23  1  0
  8 24  1  0
 24 25  2  0
 22 26  2  0
 25 26  1  0
  1 27  1  0
 12 27  1  0
 27 28  2  0
 10 29  2  0
 28 29  1  0
 29 30  1  0
 30 31  1  1
 30 32  1  0
 30 33  1  0
  2 34  1  0
M  END