matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-6xhm.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 34 36  0  0  0  0  0  0  0  0999 V2000
   10.3890    5.6960   28.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3190    4.9330   27.1910 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8980    5.5730   26.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5720    6.9210   25.9710 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0970    7.4550   24.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9260    6.6570   23.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2580    5.3110   23.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2060    4.3210   22.7810 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6230    3.1320   23.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9580    3.3530   24.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    4.7480   24.9320 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6200    1.9070   22.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2250    1.9270   21.3770 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0380    0.7900   23.1490 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0200   -0.5010   22.4740 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7810   -1.5540   23.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3010   -1.4270   23.2450 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.8450   -1.8600   21.9140 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9720   -2.2260   24.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6020   -0.9690   22.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6990   -0.8870   22.9790 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4240   -1.5010   20.9240 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1750   -2.1530   20.5400 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5680   -1.4750   19.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9730   -0.0960   19.6660 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8160   -0.1290   20.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8710    0.9590   20.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1620    1.0800   18.8210 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3650    0.6210   18.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9020    0.7830   17.3850 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3950   -3.6650   20.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1850   -4.3280   19.9970 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9280   -4.2880   21.6510 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1790   -5.6840   21.5430 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  1  0
  4  3  2  0
  5  4  1  0
  6  5  2  0
  7  6  1  0
  8  7  1  0
  9  8  1  0
 10  9  2  0
 11 10  1  0
 11  7  2  0
 11  3  1  0
 12  9  1  0
 13 12  2  0
 14 12  1  0
 15 14  1  0
 15 16  1  1
 17 16  1  0
 17 18  1  6
 19 17  1  0
 20 15  1  0
 21 20  2  0
 22 20  1  0
 23 22  1  0
 23 24  1  6
 25 24  1  6
 26 25  1  0
 27 26  1  0
 28 27  1  0
 29 28  1  0
 29 25  1  0
 30 29  2  0
 31 23  1  0
 32 31  2  0
 33 31  1  0
 34 33  1  0
M  END