matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x11587.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.0470   -7.3650   30.1900 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7280   -6.7600   29.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6090   -6.5890   28.1750 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4020   -5.9040   26.9840 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4140   -6.1450   28.9740 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1530   -5.4370   27.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8920   -4.8650   27.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9090   -5.0120   28.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1680   -5.7140   29.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4170   -6.2750   29.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2270   -5.3400   26.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1790   -4.6060   25.4600 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2550   -3.8410   25.1870 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1910   -4.8710   24.6110 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2060   -4.1990   23.4020 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7760   -2.9830   23.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4720   -2.1940   24.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6480   -4.7200   22.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370   -6.0280   22.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8790   -3.7800   21.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5910   -2.6980   21.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4870   -3.8580   19.8550 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7400   -4.7540   19.4890 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0550   -2.8430   18.8870 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6450   -3.4550   18.4130 S   0  0  0  0  0  0  0  0  0  0  0  0
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 20 18  1  0
 21 20  1  0
 21 16  1  0
 22 20  1  0
 23 22  1  0
 24 22  1  0
 24 25  1  0
M  END