matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0831.mol

Summary

Maintainability
Test Coverage
x0831
     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    8.6130   -1.9040   23.1220 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5450   -1.9410   22.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7990   -4.3830   19.6260 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9860   -0.8500   23.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5430   -2.8390   21.0750 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7060    0.3260   23.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2520    1.3610   24.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0610    1.2350   24.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3290    0.0700   24.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7790   -0.9940   23.8150 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9220   -2.2320   23.6990 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7310   -1.4290   21.7340 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5540   -0.6010   21.2980 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2880   -1.4170   21.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0230   -3.6790   22.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5870   -2.9300   23.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4150   -3.3420   19.8340 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1070   -2.6670   18.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7800   -3.3360   18.4030 R   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  4 10  1  0
  9 10  2  0
  1 11  1  0
 10 11  1  0
  1 12  1  0
 12 13  1  0
  5 14  1  0
 13 14  1  0
  5 15  1  0
  1 16  1  0
 15 16  1  0
  3 17  2  0
  5 17  1  0
 17 18  1  0
 18 19  1  0
M  END