matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-7c8r.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 45 46  0  0  0  0  0  0  0  0999 V2000
    6.6130   -7.3810   23.9710 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9230   -6.4900   22.9300 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9760   -5.7250   22.4250 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8180   -5.1150   21.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0990   -5.5450   20.3610 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7030   -3.9100   21.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6280   -3.0880   19.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3940   -1.6340   20.2190 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0030   -0.7110   19.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7670    0.6760   19.4430 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5770    0.7910   20.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0370    2.0170   20.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3030    2.2850   18.6100 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3210    1.5200   18.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7910    1.4960   17.0810 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6880   -1.2210   20.7210 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9240   -0.7170   22.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0250   -0.6150   22.8410 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3800   -0.3240   22.3820 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.0720   -1.3430   23.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6040   -1.4040   23.1690 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1600   -2.0860   24.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3150   -0.0720   22.9500 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3160    0.9450   23.0760 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9620    2.1820   22.3580 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7270    2.1620   21.2140 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8970    3.5160   23.1420 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9560    4.4070   22.6370 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0340    4.6990   23.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8110    4.5220   24.6970 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3330    5.0380   23.1390 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9550    6.3070   23.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5290    7.2380   24.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3240    8.5910   24.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9380    9.4710   25.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7760    9.0130   26.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9920    7.6700   26.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3800    6.7870   25.6390 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5490    4.2130   23.0140 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4280    3.2510   23.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5930    5.3580   23.8210 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1040    6.5820   23.3290 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9430    7.6150   24.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1350    7.1080   22.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6980    6.4640   22.7220 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  1  0
  4  3  1  0
  5  4  2  0
  6  4  1  0
  7  6  1  0
  8  7  1  6
  9  8  1  0
 10  9  1  6
 11 10  1  0
 12 11  1  0
 13 12  1  0
 14 13  1  0
 14 10  1  0
 15 14  2  0
 16  8  1  0
 17 16  1  0
 18 17  2  0
 19 17  1  0
 19 20  1  1
 21 20  1  0
 21 22  1  1
 23 21  1  0
 24 19  1  0
 25 24  1  0
 26 25  2  0
 27 25  1  0
 27 28  1  6
 29 28  1  0
 30 29  2  0
 31 29  1  0
 32 31  1  0
 33 32  1  0
 34 33  2  0
 35 34  1  0
 36 35  2  0
 37 36  1  0
 38 37  2  0
 38 33  1  0
 39 27  1  0
 39 40  1  1
 41 39  1  0
 42 41  1  0
 42 43  1  1
 44 42  1  0
 45 42  1  0
M  END