T6W
  CCTOOLS-0410261002

 35 35  0  0  0  0  0  0  0  0999 V2000
    2.5400   -0.9320    0.3500 C   0  0  0  0  0
   -5.0730    0.5870   -0.2250 C   0  0  0  0  0
   -0.7190   -1.4880   -2.1310 C   0  0  0  0  0
    1.2270   -0.8710   -0.0970 C   0  0  0  0  0
   -0.8520   -1.8780   -0.6580 C   0  0  0  0  0
   -1.6460   -0.8250    0.0710 C   0  0  0  0  0
   -3.6820    0.4740    0.4000 C   0  0  0  0  0
    3.3290    0.2030    0.3300 C   0  0  0  0  0
   -2.9100   -0.5500   -0.3090 N   0  0  0  0  0
   -1.5710   -3.2240   -0.5500 C   0  0  0  0  0
   -1.1480   -0.2240    0.9990 O   0  0  0  0  0
    0.7130    0.3280   -0.5680 C   0  0  0  0  0
    1.5080    1.4580   -0.5920 C   0  0  0  0  0
    2.8130    1.3970   -0.1400 C   0  0  0  0  0
    3.6610    2.6090   -0.1660 N   0  3  0  0  0
    0.4480   -1.9840   -0.0740 O   0  0  0  0  0
    3.2090    3.6600   -0.5850 O   0  5  0  0  0
    4.8110    2.5570    0.2320 O   0  0  0  0  0
   -6.0290    1.8550    0.6520 S   0  0  0  0  0
    3.1880   -2.4300    0.9410 CL  0  0  0  0  0
   -4.9780    0.8650   -1.2750 H   0  0  0  0  0
   -5.5850   -0.3720   -0.1480 H   0  0  0  0  0
   -0.2690   -2.3110   -2.6860 H   0  0  0  0  0
   -1.7060   -1.2710   -2.5400 H   0  0  0  0  0
   -0.0880   -0.6030   -2.2170 H   0  0  0  0  0
   -3.1690    1.4330    0.3230 H   0  0  0  0  0
   -3.7760    0.1960    1.4500 H   0  0  0  0  0
    4.3490    0.1580    0.6820 H   0  0  0  0  0
   -3.3080   -1.0310   -1.0510 H   0  0  0  0  0
   -0.9910   -3.9890   -1.0670 H   0  0  0  0  0
   -1.6760   -3.4970    0.5000 H   0  0  0  0  0
   -2.5580   -3.1470   -1.0060 H   0  0  0  0  0
   -0.3080    0.3770   -0.9180 H   0  0  0  0  0
    1.1070    2.3910   -0.9590 H   0  0  0  0  0
   -7.2090    1.8460    0.0060 H   0  0  0  0  0
  1 20  1  0  0  0
  1  8  2  0  0  0
  2 19  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  5  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  1  1  0  0  0
  5 16  1  0  0  0
  6  9  1  0  0  0
  6  5  1  0  0  0
  7  9  1  0  0  0
  7  2  1  0  0  0
  7 26  1  0  0  0
  7 27  1  0  0  0
  8 28  1  0  0  0
  9 29  1  0  0  0
 10  5  1  0  0  0
 10 30  1  0  0  0
 10 31  1  0  0  0
 10 32  1  0  0  0
 11  6  2  0  0  0
 12  4  2  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 13 14  2  0  0  0
 13 34  1  0  0  0
 14  8  1  0  0  0
 14 15  1  0  0  0
 15 17  1  0  0  0
 16  4  1  0  0  0
 18 15  2  0  0  0
 19 35  1  0  0  0
M  CHG  1  15   1
M  CHG  1  17  -1
M  END
$$$$
