4Q9
  CCTOOLS-0919241032

 54 58  0  0  1  0  0  0  0  0999 V2000
   -2.9950   -1.7420    2.1840 O   0  0  0  0  0
   -2.9040   -0.7300    1.1900 S   0  0  0  0  0
   -1.2060   -0.6010    0.5660 C   0  0  0  0  0
   -0.2270   -0.1650    1.7000 C   0  0  0  0  0
    1.1090    0.0930    0.9970 C   0  0  0  0  0
    1.7380    1.4010    0.7400 C   0  0  0  0  0
    1.9130    1.8490   -0.5720 C   0  0  0  0  0
    2.5010    3.0720   -0.8080 C   0  0  0  0  0
    2.9210    3.8600    0.2570 C   0  0  0  0  0
    3.5000    5.0650    0.0200 O   0  0  0  0  0
    2.7500    3.4190    1.5630 C   0  0  0  0  0
    2.1570    2.1990    1.8080 C   0  0  0  0  0
    1.5950   -1.1270    0.6610 C   0  0  0  0  0
    2.8600   -1.4170   -0.0380 C   0  0  0  0  0
    4.0820   -1.1120    0.5690 C   0  0  0  0  0
    5.2620   -1.3850   -0.0890 C   0  0  0  0  0
    5.2390   -1.9610   -1.3520 C   0  0  0  0  0
    6.4050   -2.2290   -1.9960 O   0  0  0  0  0
    4.0270   -2.2650   -1.9590 C   0  0  0  0  0
    2.8420   -2.0010   -1.3080 C   0  0  0  0  0
    0.5620   -2.1430    1.1540 C   0  0  0  0  0
    0.0500   -1.4540    2.3450 O   0  0  0  0  0
   -0.6490   -1.9980    0.1810 C   0  0  0  0  0
   -3.6990   -1.2850    0.0170 O   0  0  0  0  0
   -3.9410   -0.3770   -0.9650 C   0  0  0  0  0
   -2.9990   -0.1630   -1.9610 C   0  0  0  0  0
   -3.2480    0.7610   -2.9580 C   0  0  0  0  0
   -4.4350    1.4700   -2.9640 C   0  0  0  0  0
   -5.3750    1.2580   -1.9720 C   0  0  0  0  0
   -5.1340    0.3320   -0.9770 C   0  0  0  0  0
   -6.1620    0.0960    0.0990 C   0  0  0  0  0
   -3.4550    0.5620    1.4070 O   0  0  0  0  0
   -1.1540    0.0860   -0.2780 H   0  0  0  0  0
   -0.5820    0.6370    2.3470 H   0  0  0  0  0
    1.5870    1.2370   -1.4000 H   0  0  0  0  0
    2.6370    3.4190   -1.8210 H   0  0  0  0  0
    2.8750    5.8010   -0.0220 H   0  0  0  0  0
    3.0780    4.0340    2.3870 H   0  0  0  0  0
    2.0200    1.8590    2.8240 H   0  0  0  0  0
    4.1010   -0.6640    1.5510 H   0  0  0  0  0
    6.2070   -1.1500    0.3800 H   0  0  0  0  0
    6.7600   -3.1100   -1.8160 H   0  0  0  0  0
    4.0140   -2.7130   -2.9420 H   0  0  0  0  0
    1.9000   -2.2420   -1.7790 H   0  0  0  0  0
    0.9300   -3.1590    1.3000 H   0  0  0  0  0
   -1.3900   -2.7760    0.3620 H   0  0  0  0  0
   -0.3180   -2.0120   -0.8580 H   0  0  0  0  0
   -2.0720   -0.7160   -1.9560 H   0  0  0  0  0
   -2.5150    0.9290   -3.7330 H   0  0  0  0  0
   -4.6270    2.1920   -3.7440 H   0  0  0  0  0
   -6.3010    1.8140   -1.9790 H   0  0  0  0  0
   -5.9370    0.7250    0.9610 H   0  0  0  0  0
   -7.1520    0.3450   -0.2830 H   0  0  0  0  0
   -6.1400   -0.9520    0.3990 H   0  0  0  0  0
  1  2  2  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 32  2  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5 13  2  0  0  0
  6  7  2  0  0  0
  6 12  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  8  9  2  0  0  0
  8 36  1  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
 10 37  1  0  0  0
 11 12  2  0  0  0
 11 38  1  0  0  0
 12 39  1  0  0  0
 13 14  1  0  0  0
 13 21  1  0  0  0
 14 15  2  0  0  0
 14 20  1  0  0  0
 15 16  1  0  0  0
 15 40  1  0  0  0
 16 17  2  0  0  0
 16 41  1  0  0  0
 17 18  1  0  0  0
 17 19  1  0  0  0
 18 42  1  0  0  0
 19 20  2  0  0  0
 19 43  1  0  0  0
 20 44  1  0  0  0
 21 23  1  0  0  0
 21 45  1  0  0  0
 22 21  1  0  0  0
 23 46  1  0  0  0
 23 47  1  0  0  0
 24 25  1  0  0  0
 25 26  2  0  0  0
 25 30  1  0  0  0
 26 27  1  0  0  0
 26 48  1  0  0  0
 27 28  2  0  0  0
 27 49  1  0  0  0
 28 29  1  0  0  0
 28 50  1  0  0  0
 29 30  2  0  0  0
 29 51  1  0  0  0
 30 31  1  0  0  0
 31 52  1  0  0  0
 31 53  1  0  0  0
 31 54  1  0  0  0
M  END
$$$$
