DMX
  CCTOOLS-0919241044

 36 36  0  0  0  0  0  0  0  0999 V2000
    5.7140   -0.0030    0.8680 C   0  0  0  0  0
    5.1220    1.1960    0.5160 C   0  0  0  0  0
    3.9390    1.1980   -0.1990 C   0  0  0  0  0
    3.3430    0.0020   -0.5530 C   0  0  0  0  0
    3.9360   -1.1970   -0.2010 C   0  0  0  0  0
    5.1210   -1.1990    0.5100 C   0  0  0  0  0
    2.0510    0.0040   -1.3280 C   0  0  0  0  0
    0.9180    0.0010   -0.3920 N   0  3  0  0  0
   -0.3420    0.0030   -1.1480 C   0  0  0  0  0
   -2.8330    0.0030   -0.9600 C   0  0  0  0  0
   -4.2310    0.0000    0.1960 S   0  0  0  0  0
    0.9820    1.1980    0.4570 C   0  0  0  0  0
    0.9820   -1.2010    0.4500 C   0  0  0  0  0
   -4.1640   -1.1920    1.0280 O   0  5  0  0  0
   -4.1640    1.1860    1.0350 O   0  0  0  0  0
   -5.4760    0.0020   -0.5560 O   0  0  0  0  0
   -1.5210    0.0010   -0.1730 C   0  0  0  0  0
    6.6400   -0.0040    1.4240 H   0  0  0  0  0
    5.5850    2.1300    0.7960 H   0  0  0  0  0
    3.4760    2.1340   -0.4750 H   0  0  0  0  0
    3.4720   -2.1310   -0.4810 H   0  0  0  0  0
    5.5840   -2.1350    0.7850 H   0  0  0  0  0
    2.0030   -0.8840   -1.9580 H   0  0  0  0  0
    2.0030    0.8960   -1.9530 H   0  0  0  0  0
   -0.3890    0.8950   -1.7730 H   0  0  0  0  0
   -0.3890   -0.8850   -1.7780 H   0  0  0  0  0
   -2.8800    0.8950   -1.5850 H   0  0  0  0  0
   -2.8800   -0.8850   -1.5900 H   0  0  0  0  0
    1.9170    1.1960    1.0170 H   0  0  0  0  0
    0.9350    2.0900   -0.1680 H   0  0  0  0  0
    0.1420    1.1960    1.1510 H   0  0  0  0  0
    0.1420   -1.2030    1.1440 H   0  0  0  0  0
    0.9350   -2.0890   -0.1800 H   0  0  0  0  0
    1.9170   -1.2020    1.0100 H   0  0  0  0  0
   -1.4730   -0.8910    0.4520 H   0  0  0  0  0
   -1.4730    0.8890    0.4570 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  2  0  0  0
  1 18  1  0  0  0
  2  3  2  0  0  0
  2 19  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  4  5  2  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  5 21  1  0  0  0
  6 22  1  0  0  0
  7  8  1  0  0  0
  7 23  1  0  0  0
  7 24  1  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  8 13  1  0  0  0
  9 17  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
 10 11  1  0  0  0
 10 17  1  0  0  0
 10 27  1  0  0  0
 10 28  1  0  0  0
 11 14  1  0  0  0
 11 15  2  0  0  0
 11 16  2  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 13 32  1  0  0  0
 13 33  1  0  0  0
 13 34  1  0  0  0
 17 35  1  0  0  0
 17 36  1  0  0  0
M  CHG  1   8   1
M  CHG  1  14  -1
M  END
$$$$
