matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10377.mol

Summary

Maintainability
Test Coverage
x10377
     RDKit          3D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.4820   -0.6340   20.9410 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9250   -2.5760   22.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3560    0.6640   20.9860 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0410   -1.9600   20.9850 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.1850   -1.0640   22.6650 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5960    0.4300   17.5120 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7060   -0.2780   21.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2290    1.0710   21.4330 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7940   -0.0210   19.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9080    1.3030   21.6800 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2080   -0.1630   18.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5290    1.1900   17.7770 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0210    1.4000   19.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6760    0.7910   20.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9810    1.2080   22.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1290    1.5420   23.5670 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8680    1.5850   22.9770 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6780   -0.7800   22.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1470    0.2110   23.6510 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4900    0.5560   23.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3870   -0.0940   22.8290 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9210   -1.1070   22.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5870   -1.4630   21.9940 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  2  1  6
  1  7  1  0
  3  7  2  0
  5  7  1  0
  1  9  1  0
  8 10  1  0
  6 11  2  0
  9 11  1  0
  6 12  1  0
 12 13  2  0
  8 14  1  0
  9 14  2  0
 13 14  1  0
  8 15  1  0
 15 16  2  0
 10 17  2  0
 16 17  1  0
  5 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
  4 22  1  0
 21 22  1  0
 18 23  1  0
 22 23  2  0
M  END