matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x1351.mol

Summary

Maintainability
Test Coverage
x1351
     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.6500   -4.1930   21.3370 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9120   -3.0290   19.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5160   -4.9060   19.5200 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3070   -4.1220   20.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9190   -2.7410   25.2610 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7740   -2.8120   26.5430 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9950   -5.1190   22.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3910   -4.3640   23.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4530   -3.5060   24.1290 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0680   -2.5640   23.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6840   -3.3690   21.9710 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7270   -2.2470   26.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3490   -0.9480   26.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0090   -0.5990   28.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7180    0.5910   28.6960 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7730    1.4470   28.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1180    1.1180   27.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4030   -0.0700   26.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5480   -3.3910   18.4720 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0
  2  4  1  0
  3  4  2  0
  1  7  1  0
  7  8  1  0
  9  5  1  1
  8  9  1  0
  9 10  1  0
  1 11  1  0
 10 11  1  0
  5 12  1  0
  6 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 13 18  1  0
 17 18  2  0
  2 19  1  0
M  END