J3V
  CCTOOLS-0410261002

 39 40  0  0  0  0  0  0  0  0999 V2000
   -2.9740    0.0760   -0.6180 C   0  0  0  0  0
   -5.2590   -0.1540    0.0600 C   0  0  0  0  0
   -3.8400   -2.0820   -0.0100 C   0  0  0  0  0
    4.2880    0.3550    0.2500 C   0  0  0  0  0
    4.2860   -1.0270    0.1970 C   0  0  0  0  0
    3.1270   -1.7050   -0.1450 C   0  0  0  0  0
    1.9660   -0.9920   -0.4350 C   0  0  0  0  0
    1.9760    0.3940   -0.3800 C   0  0  0  0  0
    3.1360    1.0630   -0.0380 C   0  0  0  0  0
    3.1240   -3.0640   -0.1980 O   0  0  0  0  0
    0.7910   -1.6730   -0.7820 N   0  0  0  0  0
   -0.4090   -1.1630   -0.4420 C   0  0  0  0  0
   -1.5340   -1.8610   -0.6930 N   0  0  0  0  0
   -0.4770   -0.0720    0.0910 O   0  0  0  0  0
   -2.7850   -1.2880   -0.4400 C   0  0  0  0  0
   -4.2100    0.6390   -0.3680 C   0  0  0  0  0
   -5.0740   -1.5130    0.2390 C   0  0  0  0  0
    3.1450    2.8240    0.0370 S   0  0  0  0  0
    1.7980    3.2230    0.2470 O   0  0  0  0  0
    4.2070    3.1820    0.9100 O   0  0  0  0  0
    3.5670    3.3760   -1.4660 N   0  0  0  0  0
    5.5210   -1.7810    0.5060 N   0  3  0  0  0
    6.5400   -1.1850    0.8070 O   0  0  0  0  0
    5.5190   -2.9980    0.4600 O   0  5  0  0  0
   -6.6060    0.4630    0.3330 C   0  0  0  0  0
   -6.6710    0.8670    1.6710 F   0  0  0  0  0
   -6.7870    1.5740   -0.4980 F   0  0  0  0  0
   -7.6100   -0.4770    0.0800 F   0  0  0  0  0
   -2.1540    0.6970   -0.9480 H   0  0  0  0  0
   -3.6960   -3.1430    0.1290 H   0  0  0  0  0
    5.1910    0.8820    0.5210 H   0  0  0  0  0
    1.0780    0.9490   -0.6050 H   0  0  0  0  0
    2.8900   -3.4900    0.6390 H   0  0  0  0  0
    0.8420   -2.5120   -1.2670 H   0  0  0  0  0
   -1.4760   -2.7620   -1.0500 H   0  0  0  0  0
   -4.3580    1.7000   -0.5060 H   0  0  0  0  0
   -5.8940   -2.1300    0.5730 H   0  0  0  0  0
    3.2330    4.2310   -1.7800 H   0  0  0  0  0
    4.1500    2.8460   -2.0320 H   0  0  0  0  0
  1 16  2  0  0  0
  1 15  1  0  0  0
  1 29  1  0  0  0
  2 25  1  0  0  0
  2 17  2  0  0  0
  3 17  1  0  0  0
  3 30  1  0  0  0
  4  9  2  0  0  0
  4 31  1  0  0  0
  5  4  1  0  0  0
  6  5  2  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 18  1  0  0  0
 10  6  1  0  0  0
 10 33  1  0  0  0
 11  7  1  0  0  0
 11 12  1  0  0  0
 11 34  1  0  0  0
 12 14  2  0  0  0
 13 15  1  0  0  0
 13 12  1  0  0  0
 13 35  1  0  0  0
 15  3  2  0  0  0
 16  2  1  0  0  0
 16 36  1  0  0  0
 17 37  1  0  0  0
 18 19  2  0  0  0
 18 20  2  0  0  0
 21 18  1  0  0  0
 21 38  1  0  0  0
 21 39  1  0  0  0
 22 23  2  0  0  0
 22  5  1  0  0  0
 24 22  1  0  0  0
 25 26  1  0  0  0
 25 28  1  0  0  0
 27 25  1  0  0  0
M  CHG  1  22   1
M  CHG  1  24  -1
M  END
$$$$
