matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0350.mol

Summary

Maintainability
Test Coverage
x0350
     RDKit          3D

 15 16  0  0  0  0  0  0  0  0999 V2000
   10.9910  -25.8110    3.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1210  -25.0180    3.5290 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4080  -24.1010    2.5220 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5590  -23.9740    1.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4170  -24.7720    1.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4460  -24.6650    0.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9680  -23.2870   -0.0830 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0470  -23.2980   -1.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2250  -22.0030   -1.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5730  -20.8120   -1.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5390  -19.9110   -1.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5520  -20.5860   -0.8430 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9900  -21.8200   -0.6220 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1360  -25.6900    2.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6960  -26.7050    4.4120 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
  9 13  1  0
 12 13  1  0
  1 14  1  0
  5 14  2  0
  1 15  1  0
M  END