matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10236.mol

Summary

Maintainability
Test Coverage
x10236
     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.4070   -0.8010   22.4200 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0740   -0.8820   22.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3740    0.7990   20.7850 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2740   -1.5970   21.0330 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.4680    0.0430   23.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5540   -0.5510   20.9830 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5090    0.6000   23.8490 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7000    0.6260   17.6070 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1720    0.2580   23.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7890   -0.6400   22.7240 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7510   -1.2460   21.9180 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5890   -1.5720   23.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0380   -3.0200   23.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9020   -3.5760   24.9320 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3750   -5.0300   25.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2290   -5.6190   26.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7960   -5.5010   26.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3140   -4.0560   26.8650 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4630   -3.4770   25.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7940   -0.1270   21.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8010    0.0290   19.9370 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350    0.7440   20.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0150    1.4020   19.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5830    1.3200   17.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2830   -0.0110   18.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0
  2  5  2  0
  5  7  1  0
  7  9  2  0
  1 10  1  0
  9 10  1  0
  2 11  1  0
 10 11  2  0
  1 12  1  0
 12 13  1  0
 14 13  1  6
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 14 19  1  0
 18 19  1  0
  1 20  1  0
  3 20  2  0
  6 20  1  0
  6 21  1  0
 21 22  1  0
 22 23  2  0
  8 24  2  0
 23 24  1  0
  8 25  1  0
 21 25  2  0
M  END