matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x3124.mol

Summary

Maintainability
Test Coverage
x3124
     RDKit          3D

 27 28  0  0  0  0  0  0  0  0999 V2000
    7.3510   -1.3690   21.7770 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0120   -4.4730   20.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3800   -2.2780   21.1580 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1430   -3.8100   21.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6780    1.7220   22.9380 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8740    1.2950   21.0740 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5460   -2.4300   21.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4620    0.3190   17.7050 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8670   -0.0010   21.4570 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9150    1.0680   21.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6090    2.7020   23.4680 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2250    0.2570   20.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8480   -0.1020   18.9150 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3860    1.1080   17.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6610    1.4880   18.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0920    1.0520   20.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6070   -1.5420   22.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7890   -1.6350   21.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0020   -1.7550   22.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0730   -1.7870   23.7590 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8830   -1.7120   24.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6630   -1.5890   23.8360 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4180   -1.8420   24.4950 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.6210   -0.5330   25.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6000   -2.0030   23.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4600   -3.0150   25.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1610   -3.7710   18.9280 R   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0
  1  7  1  0
  3  7  2  0
  4  7  1  0
  1  9  1  0
  5 10  1  0
  6 10  2  0
  9 10  1  1
  5 11  1  0
  9 12  1  0
  8 13  2  0
 12 13  1  0
  8 14  1  0
 14 15  2  0
 12 16  2  0
 15 16  1  0
  1 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 17 22  1  0
 21 22  2  0
 20 23  1  0
 23 24  1  1
 23 25  1  0
 23 26  1  0
  2 27  1  0
M  END