A1DFE
  CCTOOLS-0828261229

 37 38  0  0  0  0  0  0  0  0999 V2000
    4.6270    1.0500    0.3200 C   0  0  0  0  0
    6.1100    2.8070    0.9270 C   0  0  0  0  0
    5.4080   -0.5560   -1.2830 C   0  0  0  0  0
   -0.4610   -2.8630    0.0850 C   0  0  0  0  0
   -1.6530   -3.5360    0.2690 C   0  0  0  0  0
   -2.8220   -2.8320    0.4910 C   0  0  0  0  0
   -4.2000    0.4440    0.1350 C   0  0  0  0  0
   -5.5190    1.1560    0.2940 C   0  0  0  0  0
   -2.8050   -1.4430    0.5290 C   0  0  0  0  0
   -1.6140   -0.7580    0.3470 C   0  0  0  0  0
   -0.4340   -1.4680    0.1280 C   0  0  0  0  0
    0.8410   -0.7460   -0.0690 C   0  0  0  0  0
    3.2010   -0.7570   -0.3610 C   0  0  0  0  0
    3.4150    0.3820    0.4020 C   0  0  0  0  0
    5.6230    0.5790   -0.5240 C   0  0  0  0  0
    4.2020   -1.2250   -1.2040 C   0  0  0  0  0
   -3.9920   -0.7350    0.7530 N   0  0  0  0  0
    1.9800   -1.4340   -0.2810 N   0  0  0  0  0
   -3.3250    0.9330   -0.5480 O   0  0  0  0  0
    4.8380    2.1700    1.0610 O   0  0  0  0  0
    0.8610    0.4690   -0.0410 O   0  0  0  0  0
    6.8980    2.1110    1.2170 H   0  0  0  0  0
    6.2570    3.1100   -0.1090 H   0  0  0  0  0
    6.1460    3.6850    1.5710 H   0  0  0  0  0
    6.1840   -0.9210   -1.9390 H   0  0  0  0  0
    0.4500   -3.4170   -0.0880 H   0  0  0  0  0
   -1.6710   -4.6150    0.2400 H   0  0  0  0  0
   -3.7510   -3.3640    0.6340 H   0  0  0  0  0
   -6.3220    0.5200   -0.0770 H   0  0  0  0  0
   -5.6880    1.3770    1.3480 H   0  0  0  0  0
   -1.6000    0.3210    0.3760 H   0  0  0  0  0
    2.6400    0.7480    1.0590 H   0  0  0  0  0
    6.5670    1.1000   -0.5880 H   0  0  0  0  0
    4.0360   -2.1110   -1.7980 H   0  0  0  0  0
   -4.6650   -1.0940    1.3530 H   0  0  0  0  0
    1.9530   -2.3990   -0.3770 H   0  0  0  0  0
   -5.4880    2.6950   -0.6450 CL  0  0  0  0  0
  1 14  1  0  0  0
  2 20  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3 16  2  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5 27  1  0  0  0
  6  5  2  0  0  0
  6 28  1  0  0  0
  7 17  1  0  0  0
  8  7  1  0  0  0
  8 29  1  0  0  0
  8 30  1  0  0  0
  8 37  1  0  0  0
  9  6  1  0  0  0
 10  9  2  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 11  4  2  0  0  0
 12 11  1  0  0  0
 12 21  2  0  0  0
 13 18  1  0  0  0
 14 13  2  0  0  0
 14 32  1  0  0  0
 15  1  2  0  0  0
 15  3  1  0  0  0
 15 33  1  0  0  0
 16 13  1  0  0  0
 16 34  1  0  0  0
 17  9  1  0  0  0
 17 35  1  0  0  0
 18 12  1  0  0  0
 18 36  1  0  0  0
 19  7  2  0  0  0
 20  1  1  0  0  0
M  END
$$$$
