9V5
  CCTOOLS-0919241039

 27 28  0  0  0  0  0  0  0  0999 V2000
   -3.8920    1.0300   -1.8590 C   0  0  0  0  0
   -3.2760   -0.1110   -2.3370 C   0  0  0  0  0
   -3.6300    1.4710   -0.5760 C   0  0  0  0  0
   -2.3970   -0.8110   -1.5320 C   0  0  0  0  0
   -2.7510    0.7720    0.2290 C   0  0  0  0  0
    1.4970   -1.7180   -0.1890 C   0  0  0  0  0
    2.7760   -1.3410   -0.5530 C   0  0  0  0  0
    2.2920    0.9160    0.0910 C   0  0  0  0  0
   -2.1340   -0.3690   -0.2490 C   0  0  0  0  0
   -1.0140   -1.2610    0.7780 S   0  0  0  0  0
   -1.2130   -0.7810    2.1010 O   0  0  0  0  0
   -1.1450   -2.6300    0.4200 O   0  0  0  0  0
    0.6160   -0.7790    0.3140 C   0  0  0  0  0
    3.1740   -0.0230   -0.4140 C   0  0  0  0  0
    4.7810    0.4520   -0.8700 CL  0  0  0  0  0
    1.0140    0.5370    0.4550 C   0  0  0  0  0
    0.0700    1.5410    0.9950 N   0  3  0  0  0
    0.0760    2.6790    0.5600 O   0  0  0  0  0
   -0.7130    1.2300    1.8750 O   0  5  0  0  0
   -4.5760    1.5790   -2.4900 H   0  0  0  0  0
   -3.4810   -0.4560   -3.3400 H   0  0  0  0  0
   -4.1120    2.3630   -0.2030 H   0  0  0  0  0
   -1.9150   -1.7030   -1.9050 H   0  0  0  0  0
   -2.5450    1.1170    1.2320 H   0  0  0  0  0
    1.1850   -2.7460   -0.3030 H   0  0  0  0  0
    3.4640   -2.0750   -0.9460 H   0  0  0  0  0
    2.6030    1.9440    0.2000 H   0  0  0  0  0
  1  2  2  0  0  0
  1  3  1  0  0  0
  1 20  1  0  0  0
  2  4  1  0  0  0
  2 21  1  0  0  0
  3  5  2  0  0  0
  3 22  1  0  0  0
  4  9  2  0  0  0
  4 23  1  0  0  0
  5  9  1  0  0  0
  5 24  1  0  0  0
  6  7  2  0  0  0
  6 13  1  0  0  0
  6 25  1  0  0  0
  7 14  1  0  0  0
  7 26  1  0  0  0
  8 14  2  0  0  0
  8 16  1  0  0  0
  8 27  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 12  2  0  0  0
 10 13  1  0  0  0
 13 16  2  0  0  0
 14 15  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 19  1  0  0  0
M  CHG  1  17   1
M  CHG  1  19  -1
M  END
$$$$