matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-7jkv.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 41 45  0  0  0  0  0  0  0  0999 V2000
    7.3990   -3.5400   20.1760 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9300   -4.1900   21.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9080   -4.9810   23.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4430   -5.2850   24.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3320   -5.9700   25.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500   -6.3400   25.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1410   -6.0060   23.9820 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2450   -5.3330   23.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2450   -1.9830   20.3920 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5710   -1.2720   19.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1480    0.1580   19.5830 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9920    0.1800   20.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1450    1.4720   20.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5040    0.8820   18.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7140   -0.8460   22.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1480   -0.4270   22.3050 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8700   -1.5260   23.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3470   -1.1910   23.1650 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.0210   -1.3930   21.7960 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9840   -2.0700   24.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8620    2.0810   22.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9140    3.2720   23.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2840    3.5260   24.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0860    4.8730   24.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2450    5.7120   25.7430 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8480    5.9510   28.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9580    7.0800   25.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4480    7.5940   24.4550 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2840    6.7710   23.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5990    5.4530   23.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1850   -4.2920   22.4440 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4310    1.5610   18.7810 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5490   -1.3930   20.8150 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1620    0.9060   22.9890 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4520    4.4770   22.5570 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1520   -4.0300   19.7870 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9460    0.9280   17.2590 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7470    5.1300   26.9020 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4870    2.0100   21.2060 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8050   -0.7960   22.8680 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5390   -4.7930   21.5330 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  4  3  2  0
  5  4  1  0
  6  5  2  0
  7  6  1  0
  8  7  2  0
  8  3  1  0
  9  1  1  0
  9 10  1  6
 11 10  1  6
 12 11  1  0
 13 12  1  0
 14 11  1  0
 16 15  1  0
 16 17  1  1
 18 17  1  0
 18 19  1  6
 20 18  1  0
 22 21  1  0
 23 22  2  0
 24 23  1  0
 25 24  2  0
 27 25  1  0
 28 27  2  0
 29 28  1  0
 30 24  1  0
 30 29  2  0
 31  2  2  0
 31  3  1  0
 32 13  1  0
 32 14  1  0
 33  9  1  0
 33 15  1  0
 34 21  1  0
 34 16  1  0
 35 22  1  0
 35 30  1  0
  1 36  1  1
 37 14  2  0
 38 25  1  0
 38 26  1  0
 39 21  2  0
 40 15  2  0
 41  2  1  0
 41  8  1  0
M  END