matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x3117.mol

Summary

Maintainability
Test Coverage
x3117
     RDKit          3D

 32 34  0  0  0  0  0  0  0  0999 V2000
    7.4280   -1.2900   21.7830 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0020   -4.3280   20.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4250   -2.2160   21.3100 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2410   -3.7200   21.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580    2.0760   22.6140 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    1.2060   20.9560 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6180   -2.3560   21.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4200    0.2370   17.7010 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7250    5.3830   24.4220 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0220    0.1000   21.4390 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1070    1.1640   21.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7640    3.1920   22.8660 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0120    4.5160   22.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0010    5.6230   23.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4740    4.1550   24.3580 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5680    2.9650   24.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3160    0.3030   20.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8820   -0.1070   18.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3240    1.0030   17.6610 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6680    1.4480   18.7920 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1740    1.0890   20.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6630   -1.4450   22.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8600   -1.6610   21.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0490   -1.7770   22.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0800   -1.6830   23.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8760   -1.4860   24.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6810   -1.3660   23.8900 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3980   -1.7460   24.6940 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.5210   -0.5160   25.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6200   -1.7690   23.7770 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4620   -3.0040   25.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1870   -3.7230   18.8140 R   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0
  1  7  1  0
  3  7  2  0
  4  7  1  0
  1 10  1  0
  5 11  1  0
  6 11  2  0
 10 11  1  1
 12  5  1  1
 12 13  1  0
  9 14  1  0
 13 14  1  0
  9 15  1  0
 12 16  1  0
 15 16  1  0
 10 17  1  0
  8 18  2  0
 17 18  1  0
  8 19  1  0
 19 20  2  0
 17 21  2  0
 20 21  1  0
  1 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 22 27  1  0
 26 27  2  0
 25 28  1  0
 28 29  1  1
 28 30  1  0
 28 31  1  0
  2 32  1  0
M  END