matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10422.mol

Summary

Maintainability
Test Coverage
x10422
     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.8920    0.4630   17.6270 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2920    0.7760   21.6200 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3530    1.0250   21.1270 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1970   -1.6490   20.8950 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8320    0.6050   20.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7820   -0.6000   21.0490 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1810    1.1820   19.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7450    1.0990   17.8820 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5080   -0.1250   18.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0380   -0.0730   19.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8710    0.0000   21.5830 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4650   -0.6470   22.8520 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7320   -0.0240   24.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2180   -2.1660   22.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9790   -0.3800   22.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5420    0.5310   23.7750 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8950    0.8280   23.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7140    0.2020   22.8000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1570   -0.7360   21.9510 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8070   -1.0210   21.9660 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0
  5  7  2  0
  1  8  2  0
  7  8  1  0
  1  9  1  0
  5 10  1  0
  6 10  1  0
  9 10  2  0
  3 11  2  0
  6 11  1  0
 11 12  1  0
 12 13  1  1
 12 14  1  0
 12 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
  4 19  1  0
 18 19  1  0
 15 20  1  0
 19 20  2  0
M  END