JWJ
  CCTOOLS-0919241039

 47 50  0  0  1  0  0  0  0  0999 V2000
   -3.5840    0.0790    0.1450 C   0  0  0  0  0
   -4.7450   -0.6930    0.0380 C   0  0  0  0  0
   -3.5990    1.4230   -0.2460 C   0  0  0  0  0
   -2.2990   -0.1790    0.5780 N   0  0  0  0  0
   -5.9200   -0.1250   -0.4590 C   0  0  0  0  0
   -5.0770   -2.3770    0.4290 S   0  0  0  0  0
   -2.3510    1.9130   -0.0330 N   0  0  0  0  0
   -4.7840    1.9840   -0.7440 C   0  0  0  0  0
   -1.5900    0.9740    0.4510 C   0  0  0  0  0
   -5.9100    1.2360   -0.8490 C   0  0  0  0  0
   -6.9310   -1.0140   -0.4900 N   0  0  0  0  0
   -6.6960   -2.2030   -0.0810 C   0  0  0  0  0
    0.1100    1.1680    0.8730 S   0  0  0  0  0
    0.9640    0.7480   -0.6710 C   0  0  0  0  0
    0.2230    2.5640    1.1120 O   0  0  0  0  0
    2.4530    0.8680   -0.4700 C   0  0  0  0  0
    3.1720   -0.2280   -0.0410 C   0  0  0  0  0
    3.0530    2.0180   -0.7120 N   0  0  0  0  0
    4.5480   -0.1060    0.1410 C   0  0  0  0  0
    2.4800   -1.5390    0.2280 C   0  0  0  0  0
    4.3530    2.1730   -0.5520 C   0  0  0  0  0
    5.1420    1.1260   -0.1200 C   0  0  0  0  0
    5.2910   -1.1610    0.5630 O   0  0  0  0  0
    6.6260    1.3120    0.0610 C   0  0  0  0  0
    5.9430   -1.9390   -0.4430 C   0  0  0  0  0
    7.2510   -2.5020    0.1160 C   0  0  0  0  0
    5.0310   -3.0920   -0.8680 C   0  0  0  0  0
   -1.9650   -1.0270    0.9120 H   0  0  0  0  0
   -4.8010    3.0210   -1.0470 H   0  0  0  0  0
   -6.8130    1.6850   -1.2350 H   0  0  0  0  0
   -7.4290   -2.9960   -0.0610 H   0  0  0  0  0
    0.7170   -0.2750   -0.9570 H   0  0  0  0  0
    0.6480    1.4310   -1.4590 H   0  0  0  0  0
    2.3760   -2.0930   -0.7050 H   0  0  0  0  0
    3.0700   -2.1240    0.9340 H   0  0  0  0  0
    1.4930   -1.3490    0.6500 H   0  0  0  0  0
    4.8060    3.1310   -0.7610 H   0  0  0  0  0
    7.1380    1.0760   -0.8720 H   0  0  0  0  0
    6.8320    2.3470    0.3360 H   0  0  0  0  0
    6.9820    0.6490    0.8490 H   0  0  0  0  0
    6.1590   -1.3090   -1.3060 H   0  0  0  0  0
    7.0350   -3.1320    0.9800 H   0  0  0  0  0
    7.7480   -3.0950   -0.6510 H   0  0  0  0  0
    7.9000   -1.6810    0.4190 H   0  0  0  0  0
    4.1440   -2.6910   -1.3590 H   0  0  0  0  0
    5.5670   -3.7430   -1.5590 H   0  0  0  0  0
    4.7330   -3.6620    0.0120 H   0  0  0  0  0
  1  2  2  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0
  2  5  1  0  0  0
  2  6  1  0  0  0
  3  7  1  0  0  0
  3  8  2  0  0  0
  4  9  1  0  0  0
  4 28  1  0  0  0
  5 10  2  0  0  0
  5 11  1  0  0  0
  6 12  1  0  0  0
  7  9  2  0  0  0
  8 10  1  0  0  0
  8 29  1  0  0  0
  9 13  1  0  0  0
 10 30  1  0  0  0
 11 12  2  0  0  0
 12 31  1  0  0  0
 13 14  1  0  0  0
 13 15  2  0  0  0
 14 16  1  0  0  0
 14 32  1  0  0  0
 14 33  1  0  0  0
 16 17  2  0  0  0
 16 18  1  0  0  0
 17 19  1  0  0  0
 17 20  1  0  0  0
 18 21  2  0  0  0
 19 22  2  0  0  0
 19 23  1  0  0  0
 20 34  1  0  0  0
 20 35  1  0  0  0
 20 36  1  0  0  0
 21 22  1  0  0  0
 21 37  1  0  0  0
 22 24  1  0  0  0
 23 25  1  0  0  0
 24 38  1  0  0  0
 24 39  1  0  0  0
 24 40  1  0  0  0
 25 26  1  0  0  0
 25 27  1  0  0  0
 25 41  1  0  0  0
 26 42  1  0  0  0
 26 43  1  0  0  0
 26 44  1  0  0  0
 27 45  1  0  0  0
 27 46  1  0  0  0
 27 47  1  0  0  0
M  END
$$$$
