matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11208.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.6630   -4.5300   19.8570 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4190   -3.8880   20.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0510   -3.0020   21.5280 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9360   -3.9540   20.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3440   -5.1830   21.0840 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3100   -2.8730   21.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1470   -2.3920   22.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5440   -2.3550   21.8690 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6170   -1.3840   22.8540 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4640   -0.9100   23.4600 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2110   -1.3960   23.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0120   -0.8200   23.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9010   -1.2760   23.6690 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3260    0.2460   24.4950 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3930    0.5850   25.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2130    0.8850   26.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7560    1.7740   27.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4790    0.3340   26.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2750    0.6740   28.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8100    1.5760   28.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5470    2.1450   28.8320 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0770    3.1950   29.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4100   -3.5780   18.7620 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  0
  4  2  1  0
  4  5  1  1
  6  4  1  0
  7  6  2  0
  7  3  1  0
  8  6  1  0
  9  8  2  0
 10  9  1  0
 11 10  2  0
 11  7  1  0
 12 11  1  0
 13 12  2  0
 14 12  1  0
 15 14  1  0
 16 15  1  0
 17 16  2  0
 18 16  1  0
 19 18  2  0
 20 19  1  0
 21 20  2  0
 21 17  1  0
 22 21  1  0
  4 23  1  0
M  END