670
  CCTOOLS-0919241039

 34 45  0  0  0  0  0  0  0  0999 V2000
   20.3050   11.0480   13.2600 FE  0  0  0  0  0
   17.3950    8.6660   12.2590 N   0  0  0  0  0
   16.7770    7.7820   12.8560 N   0  0  0  0  0
   17.8640    5.0920   14.7060 C   0  0  0  0  0
   17.3760    4.0410   15.4740 C   0  0  0  0  0
   13.9490    2.7540   16.8760 O   0  0  0  0  0
   18.6470    8.5980   12.6960 C   0  0  0  0  0
   17.5050    7.1570   13.6300 N   0  0  0  0  0
   17.0330    6.1530   14.3640 C   0  0  0  0  0
   16.0530    4.0460   15.9000 C   0  0  0  0  0
   15.4490    2.7260   16.8800 S   0  0  0  0  0
   15.9630    1.3110   16.2580 N   0  0  0  0  0
   18.7490    7.6290   13.5950 C   0  0  0  0  0
   15.7110    6.1600   14.7950 C   0  0  0  0  0
   15.2210    5.1070   15.5610 C   0  0  0  0  0
   15.9520    2.8750   18.2850 O   0  0  0  0  0
   19.6440    9.3730   12.2780 C   0  0  0  0  0
   20.9340    9.2250   12.5680 C   0  0  0  0  0
   21.6110   10.1820   11.9390 C   0  0  0  0  0
   20.7390   10.9230   11.2610 C   0  0  0  0  0
   19.5240   10.4230   11.4700 C   0  0  0  0  0
   19.1080   11.6030   14.8300 C   0  0  0  0  0
   19.3310   12.6640   14.0600 C   0  0  0  0  0
   20.6400   12.9060   14.0590 C   0  0  0  0  0
   21.2260   11.9920   14.8280 C   0  0  0  0  0
   20.2800   11.1870   15.3040 C   0  0  0  0  0
   18.8920    5.0840   14.3740 H   0  0  0  0  0
   18.0250    3.2200   15.7400 H   0  0  0  0  0
   16.9630    1.2890   16.2590 H   0  0  0  0  0
   15.6130    0.5560   16.8130 H   0  0  0  0  0
   19.6150    7.3070   14.1530 H   0  0  0  0  0
   15.0640    6.9840   14.5350 H   0  0  0  0  0
   14.1930    5.1140   15.8930 H   0  0  0  0  0
   18.1730   11.4800   15.3960 H   0  0  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  8  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  4 27  1  0  0  0
  5 10  1  0  0  0
  5 28  1  0  0  0
  6 11  2  0  0  0
  7 13  2  0  0  0
  7 17  1  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
  9 14  2  0  0  0
 10 11  1  0  0  0
 10 15  2  0  0  0
 11 12  1  0  0  0
 11 16  2  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
 13 31  1  0  0  0
 14 15  1  0  0  0
 14 32  1  0  0  0
 15 33  1  0  0  0
 17 18  1  0  0  0
 17 21  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 22 26  1  0  0  0
 22 34  1  0  0  0
 23 24  2  0  0  0
 24 25  1  0  0  0
 25 26  2  0  0  0
M  END
$$$$