matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x3115.mol

Summary

Maintainability
Test Coverage
x3115
     RDKit          3D

 30 31  0  0  0  0  0  0  0  0999 V2000
    7.3710   -1.4460   21.7470 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0450   -4.4970   20.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3990   -2.3330   21.0950 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1570   -3.8770   21.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7940    1.6050   22.9690 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8760    1.2670   21.0230 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5610   -2.4980   21.4280 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4440    0.3060   17.7060 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8940    4.9810   22.5050 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9120   -0.0680   21.4450 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9690    0.9870   21.8060 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5340    2.8050   23.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9170    3.9920   22.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2990    6.2190   22.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2570    0.2250   20.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8530   -0.1270   18.9030 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3710    1.1020   17.6780 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6810    1.4890   18.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1360    1.0390   20.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6210   -1.6340   22.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8200   -1.6290   21.7220 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0250   -1.7360   22.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0700   -1.8640   23.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8630   -1.9050   24.4760 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6510   -1.7790   23.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4060   -1.8630   24.5400 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.6080   -1.9330   23.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5120   -3.0550   25.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5260   -0.5650   25.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1960   -3.7480   18.8830 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
  5 12  1  0
  9 13  1  0
 12 13  1  0
  9 14  1  0
 10 15  1  0
  8 16  2  0
 15 16  1  0
  8 17  1  0
 17 18  2  0
 15 19  2  0
 18 19  1  0
  1 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 20 25  1  0
 24 25  2  0
 23 26  1  0
 26 27  1  6
 26 28  1  0
 26 29  1  0
  2 30  1  0
M  END