matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0731.mol

Summary

Maintainability
Test Coverage
x0731
     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    5.9950   -5.2600   24.2630 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9470   -1.0380   25.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3930   -4.7580   26.6340 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0380   -2.0700   25.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8250   -5.1400   21.5840 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7150   -6.4600   25.9960 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2820   -1.7880   26.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5580   -5.1020   19.7150 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2970   -2.7270   26.3280 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0670   -3.9740   25.7690 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8290   -4.2820   25.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8320   -3.3260   25.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2150   -5.9360   23.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1550   -6.3300   22.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5720   -4.4180   22.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6530   -4.0440   23.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4310   -4.5990   20.4100 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0880   -3.3160   19.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3450   -5.1970   25.7660 S   0  0  2  0  0  0  0  0  0  0  0  0
    8.3400   -3.4390   18.6650 R   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0
  4  7  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
  4 12  1  0
 11 12  2  0
  1 13  1  0
  5 14  1  0
 13 14  1  0
  5 15  1  0
  1 16  1  0
 15 16  1  0
  5 17  1  0
  8 17  2  0
 17 18  1  0
  1 19  1  0
  3 19  2  0
  6 19  2  0
 19 10  1  6
 18 20  1  0
M  END