matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10876.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 28 31  0  0  0  0  0  0  0  0999 V2000
    9.0340    1.4370   20.9780 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8100    0.3950   21.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2090    0.1950   22.8660 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6220    1.3740   23.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0910    1.6710   23.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6600    2.9080   23.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0320    2.8560   22.9120 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6200    1.2940   23.3250 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0460    0.7170   23.6510 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0950   -1.0460   23.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8250   -1.0800   24.9220 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7540   -2.2880   25.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4960   -2.2170   22.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4540   -3.4250   23.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0770   -3.4850   24.9500 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0640   -4.6820   25.6270 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1360   -4.9060   26.7260 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4350   -5.9090   24.9480 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9750   -0.7060   20.9150 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1080   -0.1660   19.8880 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9580    0.5510   20.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1880    0.9420   21.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0520    1.6960   20.8400 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7100    2.0540   19.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4940    1.6630   18.4600 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6270    0.8960   18.7090 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5740    0.3710   17.8620 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4510   -0.2680   18.5790 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  0
  4  3  1  0
  5  4  1  0
  6  5  1  0
  7  6  2  0
  8  7  1  0
  9  8  1  0
  9  5  2  0
 10  3  1  0
 11 10  2  0
 12 11  1  0
 13 10  1  0
 14 13  2  0
 15 14  1  0
 15 12  2  0
 16 15  1  0
 17 16  1  0
 18 16  1  0
 19  2  1  0
 20 19  1  0
 21 20  1  0
 22 21  2  0
 23 22  1  0
 24 23  2  0
 25 24  1  0
 26 25  2  0
 26 21  1  0
 27 26  1  0
 28 27  2  0
 28 20  1  0
M  END