7Q8
  CCTOOLS-0807261402

 33 36  0  0  0  0  0  0  0  0999 V2000
    3.8700    0.8600    0.1990 C   0  0  0  0  0
    2.9650   -0.2110    0.4030 C   0  0  0  0  0
    3.3470    2.1330   -0.0960 C   0  0  0  0  0
    1.9990    2.2990   -0.1740 C   0  0  0  0  0
    1.1640    1.1800    0.0430 C   0  0  0  0  0
    1.6110   -0.0340    0.3270 N   0  0  0  0  0
   -0.2960    1.2980   -0.0300 C   0  0  0  0  0
   -0.9800    0.2440    0.1400 N   0  0  0  0  0
   -2.3350    0.2750   -0.1450 N   0  0  0  0  0
   -2.9020   -0.8750   -0.3100 C   0  0  0  0  0
   -1.7340   -2.0980   -0.3470 S   0  5  0  0  0
   -4.2700   -1.0140   -0.4380 N   0  0  0  0  0
   -4.9420   -2.3280   -0.6140 C   0  0  0  0  0
   -5.2070    0.1440   -0.4160 C   0  0  0  0  0
   -0.0740   -1.3130    1.3130 IN  0  1  0  0  0
    3.4730   -1.4920    0.7010 C   0  0  0  0  0
    4.8200   -1.6920    0.7860 C   0  0  0  0  0
    5.7180   -0.6340    0.5820 C   0  0  0  0  0
    5.2590    0.6150    0.2950 C   0  0  0  0  0
   -1.9290   -2.1550    2.6550 CL  0  5  0  0  0
    3.9270    2.8630   -0.2380 H   0  0  0  0  0
    1.6280    3.1420   -0.3710 H   0  0  0  0  0
   -0.7250    2.1300   -0.1950 H   0  0  0  0  0
   -4.2910   -3.0460   -0.5990 H   0  0  0  0  0
   -5.4110   -2.3430   -1.4690 H   0  0  0  0  0
   -5.5830   -2.4670    0.1070 H   0  0  0  0  0
   -4.7170    0.9740   -0.3010 H   0  0  0  0  0
   -5.8350    0.0430    0.3220 H   0  0  0  0  0
   -5.7010    0.1820   -1.2560 H   0  0  0  0  0
    2.8770   -2.2100    0.8400 H   0  0  0  0  0
    5.1510   -2.5530    0.9840 H   0  0  0  0  0
    6.6470   -0.7890    0.6440 H   0  0  0  0  0
    5.8710    1.3170    0.1600 H   0  0  0  0  0
  1  2  1  0  0  0
  1  3  2  0  0  0
  1 19  1  0  0  0
  2  6  2  0  0  0
  2 16  1  0  0  0
  3  4  1  0  0  0
  3 21  1  0  0  0
  4  5  2  0  0  0
  4 22  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  6 15  1  0  0  0
  7  8  2  0  0  0
  7 23  1  0  0  0
  8  9  1  0  0  0
  8 15  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 12  1  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 12 14  1  0  0  0
 13 24  1  0  0  0
 13 25  1  0  0  0
 13 26  1  0  0  0
 14 27  1  0  0  0
 14 28  1  0  0  0
 14 29  1  0  0  0
 15 20  1  0  0  0
 16 17  2  0  0  0
 16 30  1  0  0  0
 17 18  1  0  0  0
 17 31  1  0  0  0
 18 19  2  0  0  0
 18 32  1  0  0  0
 19 33  1  0  0  0
M  CHG  1  11  -1
M  CHG  1  15   3
M  CHG  1  20  -1
M  END
$$$$
