matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x2694.mol

Summary

Maintainability
Test Coverage
x2694
     RDKit          3D

 34 36  0  0  0  0  0  0  0  0999 V2000
    7.6290   -1.0140   21.7540 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9730   -4.3270   20.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6950   -2.0550   21.2220 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6380   -3.4440   21.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8260    2.4100   22.6110 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2480    1.4740   21.0910 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9050   -2.1450   21.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5890    0.4590   17.7130 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8410    6.7630   24.2690 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1470    0.3610   21.4630 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7090   -1.2560   23.9140 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0590   -1.3390   24.3560 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1890    1.4640   21.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6080    3.5070   23.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6690    3.2720   23.9390 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9320    1.9080   24.5280 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4420    4.3540   24.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1560    5.6360   23.8980 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9290    6.6420   25.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1070    5.8590   23.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3290    4.7970   22.5940 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4580    0.5290   20.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0750    0.1720   18.9270 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4300    1.1230   17.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7230    1.5110   18.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2480    1.2000   20.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8030   -1.1850   22.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8730   -1.3160   23.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1650   -1.2320   22.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3770   -1.3610   23.4790 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.8770    0.0010   23.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0600   -1.7160   22.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7430   -2.4040   24.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2050   -3.6930   18.9810 R   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  1
  1  7  1  0
  3  7  2  0
  4  7  1  0
  1 10  1  0
 11 12  1  0
  5 13  1  0
  6 13  2  0
 10 13  1  1
  5 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
  9 18  1  0
 17 18  2  0
  9 19  1  0
 18 20  1  0
 14 21  1  0
 20 21  2  0
 10 22  1  0
  8 23  2  0
 22 23  1  0
  8 24  1  0
 24 25  2  0
 22 26  2  0
 25 26  1  0
  1 27  1  0
 11 27  2  0
 12 28  1  0
 27 29  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  1
 30 32  1  0
 30 33  1  0
  2 34  1  0
M  END