A1C1T
  CCTOOLS-0828261229

 30 32  0  0  1  0  0  0  0  0999 V2000
   -2.2810    0.5800   -0.0990 N   0  0  0  0  0
   -5.9100    1.3300    0.4010 C   0  0  0  0  0
   -1.5960   -0.5990    0.1350 C   0  0  0  0  0
    2.0330   -0.2870    0.0580 C   0  0  0  0  0
   -3.9330    2.4790    1.4650 C   0  0  0  0  0
    0.4570   -1.8520    0.3780 C   0  0  0  0  0
   -1.6000   -2.8600    0.5940 C   0  0  0  0  0
   -4.4990    1.1360    1.0000 C   0  0  0  0  0
   -5.9130    0.2860   -0.7400 C   0  0  0  0  0
   -4.4510    0.1010   -1.0780 C   0  0  0  0  0
   -0.1930   -0.6270    0.1350 C   0  0  0  0  0
    0.8630    0.3630   -0.0680 C   0  0  0  0  0
    3.9250    0.5940   -0.1250 I   0  0  0  0  0
   -3.6820    0.5900   -0.0900 N   0  0  0  0  0
    1.8020   -1.6120    0.3250 N   0  0  0  0  0
   -0.2870   -2.9340    0.5980 N   0  0  0  0  0
   -2.2510   -1.7320    0.3700 N   0  0  0  0  0
   -4.0320   -0.4150   -2.0930 O   0  0  0  0  0
   -1.7920    1.4010   -0.2660 H   0  0  0  0  0
   -6.6810    1.1050    1.1380 H   0  0  0  0  0
   -6.0310    2.3390    0.0070 H   0  0  0  0  0
   -4.5870    2.9060    2.2250 H   0  0  0  0  0
   -2.9380    2.3280    1.8850 H   0  0  0  0  0
   -3.8690    3.1600    0.6160 H   0  0  0  0  0
   -2.1710   -3.7590    0.7760 H   0  0  0  0  0
   -4.5360    0.4350    1.8340 H   0  0  0  0  0
   -6.3470   -0.6530   -0.3960 H   0  0  0  0  0
   -6.4590    0.6660   -1.6030 H   0  0  0  0  0
    0.7290    1.4130   -0.2770 H   0  0  0  0  0
    2.4920   -2.2810    0.4560 H   0  0  0  0  0
  1  3  1  0  0  0
  1 19  1  0  0  0
  2  8  1  0  0  0
  2  9  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3 11  2  0  0  0
  3 17  1  0  0  0
  4 13  1  0  0  0
  4 15  1  0  0  0
  5 22  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6 15  1  0  0  0
  6 16  2  0  0  0
  7 16  1  0  0  0
  7 25  1  0  0  0
  8  5  1  0  0  0
  8 14  1  0  0  0
  8 26  1  0  0  0
  9 10  1  0  0  0
  9 27  1  0  0  0
  9 28  1  0  0  0
 10 18  2  0  0  0
 11  6  1  0  0  0
 12 11  1  0  0  0
 12  4  2  0  0  0
 12 29  1  0  0  0
 14 10  1  0  0  0
 14  1  1  0  0  0
 15 30  1  0  0  0
 17  7  2  0  0  0
M  END
$$$$
