matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10155.mol

Summary

Maintainability
Test Coverage
x10155
     RDKit          3D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.2670   -3.7440   21.2830 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3730   -2.6460   19.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0430   -4.5330   19.5820 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8590   -3.7270   19.9880 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8430   -2.6880   23.8980 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2910   -2.8990   21.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3150   -3.9620   27.7190 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6280   -1.9460   22.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1700   -1.7580   24.8010 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5230   -2.5460   25.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1220   -3.3240   26.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0780   -3.6610   27.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9460   -4.0800   28.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1130   -3.5510   29.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6080   -4.3630   30.8020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8300   -3.8580   32.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5510   -2.5380   32.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0510   -1.7230   31.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8320   -2.2250   30.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8570   -3.5840   23.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5420   -4.5290   22.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8050   -2.6030   26.1410 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7140   -3.4100   18.3760 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0
  2  4  1  0
  3  4  2  0
  1  6  1  0
  5  8  1  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
  7 11  1  0
 10 11  2  0
  7 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 14 19  1  0
 18 19  2  0
  5 20  1  0
  1 21  1  0
 20 21  1  0
 10 22  1  0
 12 22  1  0
  2 23  1  0
M  END