matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x1119.mol

Summary

Maintainability
Test Coverage
x1119
     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
   21.1660    7.6050   22.4370 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.7000    6.5140   23.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2260    2.1600   25.8710 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3210    6.2990   24.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9000    3.4560   26.9900 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.3890    2.4120   24.7270 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8650    5.2320   25.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9480    4.6630   28.5860 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.7830    4.3100   24.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1490    4.5550   23.3000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6360    5.6130   22.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8750    4.3600   27.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6200    4.9780   26.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4740    5.9660   26.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5730    6.3140   27.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7900    5.6440   28.9300 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3430    2.9600   25.4840 S   0  0  1  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  4  2  0
  4  7  1  0
  7  9  2  0
  9 10  1  0
  2 11  1  0
 10 11  2  0
  5 12  1  0
  8 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
  8 16  1  0
 15 16  2  0
  3 17  2  0
 17  5  1  1
  6 17  2  0
  9 17  1  0
M  END