04T
  CCTOOLS-0919241027

 39 40  0  0  0  0  0  0  0  0999 V2000
    2.8810   -0.7890    1.4000 C   0  0  0  0  0
    1.6400   -0.4470    1.8990 C   0  0  0  0  0
    0.8450    0.4640    1.2140 C   0  0  0  0  0
    1.3020    1.0280    0.0300 C   0  0  0  0  0
    2.5450    0.6820   -0.4630 C   0  0  0  0  0
    3.3330   -0.2250    0.2210 C   0  0  0  0  0
    4.9180   -0.6640   -0.4120 S   0  0  0  0  0
    5.3100    0.4610   -1.1870 O   0  0  0  0  0
    5.6580   -1.0570    0.7360 O   0  0  0  0  0
    4.5980   -2.0930   -1.4830 C   0  0  0  0  0
    0.4580    1.9990   -0.7030 N   0  3  0  0  0
    0.8210    2.4270   -1.7840 O   0  0  0  0  0
   -0.5990    2.3690   -0.2250 O   0  5  0  0  0
   -0.4120    0.8120    1.7160 N   0  0  0  0  0
   -1.5670    0.2590    1.1520 C   0  0  0  0  0
   -2.8190    0.6940    1.5670 C   0  0  0  0  0
   -3.9590    0.1490    1.0110 C   0  0  0  0  0
   -3.8540   -0.8360    0.0380 C   0  0  0  0  0
   -2.6030   -1.2720   -0.3770 C   0  0  0  0  0
   -1.4620   -0.7220    0.1740 C   0  0  0  0  0
   -5.0110   -1.3900   -0.5260 N   0  0  0  0  0
   -6.1130   -0.6310   -0.6850 C   0  0  0  0  0
   -7.3890   -1.2510   -1.1930 C   0  0  0  0  0
   -6.0780    0.5520   -0.4190 O   0  0  0  0  0
    3.5020   -1.4930    1.9340 H   0  0  0  0  0
    1.2870   -0.8880    2.8190 H   0  0  0  0  0
    2.9010    1.1200   -1.3840 H   0  0  0  0  0
    3.9090   -1.8060   -2.2760 H   0  0  0  0  0
    5.5350   -2.4350   -1.9220 H   0  0  0  0  0
    4.1590   -2.8980   -0.8930 H   0  0  0  0  0
   -0.4840    1.4360    2.4540 H   0  0  0  0  0
   -2.9010    1.4600    2.3250 H   0  0  0  0  0
   -4.9330    0.4870    1.3340 H   0  0  0  0  0
   -2.5210   -2.0380   -1.1340 H   0  0  0  0  0
   -0.4890   -1.0570   -0.1520 H   0  0  0  0  0
   -5.0190   -2.3200   -0.8020 H   0  0  0  0  0
   -7.2280   -2.3140   -1.3760 H   0  0  0  0  0
   -8.1760   -1.1250   -0.4490 H   0  0  0  0  0
   -7.6860   -0.7640   -2.1220 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  3  4  2  0  0  0
  3 14  1  0  0  0
  4  5  1  0  0  0
  4 11  1  0  0  0
  5  6  2  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7  9  2  0  0  0
  7 10  1  0  0  0
 10 28  1  0  0  0
 10 29  1  0  0  0
 10 30  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 14 15  1  0  0  0
 14 31  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 32  1  0  0  0
 17 18  2  0  0  0
 17 33  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 19 34  1  0  0  0
 20 35  1  0  0  0
 21 22  1  0  0  0
 21 36  1  0  0  0
 22 23  1  0  0  0
 22 24  2  0  0  0
 23 37  1  0  0  0
 23 38  1  0  0  0
 23 39  1  0  0  0
M  CHG  1  11   1
M  CHG  1  13  -1
M  END
$$$$
