matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10820.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 27 30  0  0  0  0  0  0  0  0999 V2000
   13.5360   -0.7640   21.8790 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7350   -4.9280   26.0030 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4980   -0.4620   18.8090 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0250   -0.4060   20.0790 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8450   -3.7540   25.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8750   -0.5330   22.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1080    0.8340   21.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6220    0.3890   23.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9830   -2.6790   25.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7770   -3.6710   24.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8370    2.0760   19.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8480   -2.5380   23.4610 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0130   -1.4500   23.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9410    0.4090   23.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8160   -0.9750   21.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0470    1.6690   20.8400 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8220    0.9320   23.6730 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7200    0.0780   21.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9440    0.4180   20.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7590    0.8360   18.8260 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6900   -5.1960   26.9660 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2440   -0.2180   23.0050 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9750    1.1160   21.1830 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2130    0.7140   23.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0650   -1.5370   24.7240 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6950    1.6740   18.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7450    0.2770   18.0450 N   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  1  0
  5  2  1  0
  6  1  1  0
  8  6  2  0
  9  5  2  0
 10  5  1  0
 12 10  2  0
 13 12  1  0
 14  1  1  0
 15  4  1  0
 16 11  2  0
 16  7  1  0
 17 14  2  0
 17  8  1  0
 18 15  1  0
 19  7  2  0
 19  4  1  0
 20 19  1  0
 21  2  1  0
 22 18  1  0
 22 13  1  0
 23 18  2  0
 24 22  1  0
 24  8  1  0
 25 13  2  0
 25  9  1  0
 26 11  1  0
 26 20  2  0
 27 20  1  0
 27  3  2  0
M  END