matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x2052.mol

Summary

Maintainability
Test Coverage
x2052
     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    7.0230   -3.2980   21.4810 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9110   -1.4410   25.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6870   -1.3630   25.1510 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6930   -2.1830   24.1400 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6690   -0.8760   26.1470 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9260   -4.6260   20.0270 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9580   -3.4560   23.6990 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4540    2.0070   28.4210 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5070    2.1590   30.5430 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7730   -4.1780   22.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6070   -3.6320   20.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9940   -2.6980   19.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7400   -2.0690   21.8530 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9720   -1.2870   22.9250 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2320   -0.0760   27.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4340   -0.5800   28.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1690    0.1910   29.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7250    1.4780   29.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0470    3.4790   30.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6940    1.2300   27.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4360   -3.5330   18.6930 R   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0
  4  2  1  1
  2  5  1  0
  4  7  1  0
  1 10  1  0
  7 10  1  0
  1 11  1  0
  6 11  2  0
 11 12  1  0
  1 13  1  0
  4 14  1  0
 13 14  1  0
  5 15  1  0
 15 16  1  0
 16 17  2  0
  8 18  2  0
  9 18  1  0
 17 18  1  0
  9 19  1  0
  8 20  1  0
 15 20  2  0
 12 21  1  0
M  END