A1E5B
  CCTOOLS-0828261229

 53 57  0  0  1  0  0  0  0  0999 V2000
   -0.8370   -0.9360    0.1380 C   0  0  0  0  0
    1.4640   -0.9840    0.2750 C   0  0  0  0  0
    2.7550   -1.7630    0.2750 C   0  0  0  0  0
    2.9400   -2.8230    1.3630 C   0  0  0  0  0
   -1.7780    2.6360   -0.8410 C   0  0  0  0  0
   -1.1560    2.9510    0.5210 C   0  0  0  0  0
   -1.1520    4.4660    0.7420 C   0  0  0  0  0
    1.0260    4.6230   -0.2410 C   0  0  0  0  0
    1.0450    3.1080   -0.4720 C   0  0  0  0  0
    0.2600    1.0740    0.4140 C   0  0  0  0  0
    1.4780    0.3910    0.4140 C   0  0  0  0  0
    2.6840   -3.2480   -0.0850 C   0  0  0  0  0
    3.6910    0.3260   -1.5370 C   0  0  0  0  0
   -2.1110   -1.6750   -0.0150 C   0  0  0  0  0
   -2.1200   -3.0570   -0.1610 C   0  0  0  0  0
   -4.4310   -3.1230   -0.3030 C   0  0  0  0  0
   -4.5290   -1.7450   -0.1590 C   0  0  0  0  0
   -3.3450   -0.9950   -0.0100 C   0  0  0  0  0
   -3.7590    0.3960    0.1190 C   0  0  0  0  0
   -5.1030    0.4140    0.0450 C   0  0  0  0  0
    0.2260    2.4510    0.5570 N   0  0  0  0  0
   -0.8670    0.3830    0.2750 N   0  0  0  0  0
    0.3060   -1.6100    0.1400 N   0  0  0  0  0
    4.6990   -0.0410    0.9130 N   0  0  0  0  0
   -3.2550   -3.7180   -0.2960 N   0  0  0  0  0
   -5.5780   -0.8550   -0.1200 N   0  0  0  0  0
   -0.3270    5.0850   -0.2490 O   0  0  0  0  0
    5.3020   -1.6750   -0.6600 O   0  0  0  0  0
    4.2250   -0.8410   -0.2550 S   0  0  0  0  0
    3.9450   -2.9670    1.7590 H   0  0  0  0  0
    2.1290   -2.9570    2.0780 H   0  0  0  0  0
   -1.1950    3.1170   -1.6270 H   0  0  0  0  0
   -1.7790    1.5570   -0.9990 H   0  0  0  0  0
   -2.8020    3.0080   -0.8680 H   0  0  0  0  0
   -1.7380    2.4700    1.3070 H   0  0  0  0  0
   -2.1690    4.8490    0.6590 H   0  0  0  0  0
   -0.7590    4.6880    1.7340 H   0  0  0  0  0
    1.4830    4.8500    0.7220 H   0  0  0  0  0
    1.5850    5.1190   -1.0350 H   0  0  0  0  0
    0.6370    2.8850   -1.4580 H   0  0  0  0  0
    2.0700    2.7430   -0.4110 H   0  0  0  0  0
    2.4110    0.9250    0.5250 H   0  0  0  0  0
    1.7040   -3.6630   -0.3210 H   0  0  0  0  0
    3.5200   -3.6720   -0.6400 H   0  0  0  0  0
    2.9430    1.0020   -1.1240 H   0  0  0  0  0
    4.5490    0.9020   -1.8840 H   0  0  0  0  0
   -1.1850   -3.5980   -0.1630 H   0  0  0  0  0
   -5.3280   -3.7130   -0.4170 H   0  0  0  0  0
   -3.1110    1.2500    0.2490 H   0  0  0  0  0
   -5.7150    1.3020    0.1080 H   0  0  0  0  0
    5.4610    0.5510    0.8170 H   0  0  0  0  0
   -6.5150   -1.0940   -0.1980 H   0  0  0  0  0
    3.2600   -0.2250   -2.3740 H   0  0  0  0  0
  1 14  1  0  0  0
  2 23  2  0  0  0
  3  4  1  0  0  0
  3  2  1  0  0  0
  3 29  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6 35  1  0  0  0
  7  6  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
  9 21  1  0  0  0
  9 40  1  0  0  0
  9 41  1  0  0  0
 10 22  1  0  0  0
 11 10  2  0  0  0
 11  2  1  0  0  0
 11 42  1  0  0  0
 12  3  1  0  0  0
 12  4  1  0  0  0
 12 43  1  0  0  0
 12 44  1  0  0  0
 13 45  1  0  0  0
 13 46  1  0  0  0
 13 53  1  0  0  0
 14 15  2  0  0  0
 14 18  1  0  0  0
 15 25  1  0  0  0
 15 47  1  0  0  0
 16 48  1  0  0  0
 17 26  1  0  0  0
 17 16  1  0  0  0
 18 17  2  0  0  0
 19 18  1  0  0  0
 19 20  2  0  0  0
 19 49  1  0  0  0
 20 26  1  0  0  0
 20 50  1  0  0  0
 21  6  1  0  0  0
 21 10  1  0  0  0
 22  1  2  0  0  0
 23  1  1  0  0  0
 24 29  2  0  0  0
 24 51  1  0  0  0
 25 16  2  0  0  0
 26 52  1  0  0  0
 27  7  1  0  0  0
 29 13  1  0  0  0
 29 28  2  0  0  0
M  END
$$$$
