A1EQC
  CCTOOLS-0612260951

 44 46  0  0  1  0  0  0  0  0999 V2000
    2.8610    2.1030   -0.0670 C   0  0  0  0  0
    4.2500   -0.4540    0.2640 C   0  0  0  0  0
   -1.3900   -0.4720   -1.2540 C   0  0  0  0  0
   -3.2160    0.4280    0.2020 C   0  0  0  0  0
   -2.6140    3.0250   -0.5300 C   0  0  0  0  0
   -1.8900    1.9720   -1.0580 C   0  0  0  0  0
   -0.6940   -0.9880    1.1940 C   0  0  0  0  0
   -0.6080   -1.3430   -0.2690 C   0  0  0  0  0
   -0.4980   -2.8140   -0.5750 C   0  0  0  0  0
    0.1360   -0.3710   -1.1890 C   0  0  0  0  0
    0.7340    0.8850   -0.5540 C   0  0  0  0  0
    2.2610    0.7950   -0.5870 C   0  0  0  0  0
    4.3880    2.0140   -0.1000 C   0  0  0  0  0
    4.8500    0.8540    0.7840 C   0  0  0  0  0
    2.7230   -0.3640    0.2970 C   0  0  0  0  0
   -2.1870    0.6740   -0.6880 C   0  0  0  0  0
   -3.9480    1.4790    0.7210 C   0  0  0  0  0
   -3.6480    2.7780    0.3540 C   0  0  0  0  0
    0.2900   -0.6060    1.7820 O   0  0  0  0  0
   -1.1300   -3.7100    0.1990 O   0  0  0  0  0
    0.1580   -3.1880   -1.5190 O   0  0  0  0  0
   -1.8640   -1.0980    1.8430 O   0  0  0  0  0
    2.5320    2.9300   -0.6970 H   0  0  0  0  0
    2.5290    2.2730    0.9570 H   0  0  0  0  0
    4.5820   -0.6240   -0.7600 H   0  0  0  0  0
    4.5800   -1.2810    0.8940 H   0  0  0  0  0
   -1.8250   -0.9640   -2.1240 H   0  0  0  0  0
   -3.4510   -0.5870    0.4880 H   0  0  0  0  0
   -2.3790    4.0400   -0.8160 H   0  0  0  0  0
   -1.0860    2.1650   -1.7530 H   0  0  0  0  0
    0.7040   -0.7970   -2.0160 H   0  0  0  0  0
    0.4100    1.7640   -1.1120 H   0  0  0  0  0
    0.3980    0.9660    0.4790 H   0  0  0  0  0
    2.5930    0.6260   -1.6120 H   0  0  0  0  0
    4.7200    1.8440   -1.1250 H   0  0  0  0  0
    4.8150    2.9450    0.2700 H   0  0  0  0  0
    4.5180    1.0230    1.8090 H   0  0  0  0  0
    5.9380    0.7900    0.7610 H   0  0  0  0  0
    2.2960   -1.2960   -0.0730 H   0  0  0  0  0
    2.3920   -0.1950    1.3220 H   0  0  0  0  0
   -4.7550    1.2860    1.4120 H   0  0  0  0  0
   -4.2130    3.6000    0.7670 H   0  0  0  0  0
   -1.0300   -4.6430   -0.0370 H   0  0  0  0  0
   -1.8700   -0.8590    2.7800 H   0  0  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3 16  1  0  0  0
  3 27  1  0  0  0
  4 17  2  0  0  0
  4 28  1  0  0  0
  5 18  2  0  0  0
  5 29  1  0  0  0
  6 16  2  0  0  0
  6  5  1  0  0  0
  6 30  1  0  0  0
  7 19  2  0  0  0
  7 22  1  0  0  0
  8  3  1  0  0  0
  8  7  1  0  0  0
  9 20  1  0  0  0
  9  8  1  0  0  0
 10  8  1  0  0  0
 10  3  1  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 11 32  1  0  0  0
 11 33  1  0  0  0
 12 15  1  0  0  0
 12 11  1  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 13 36  1  0  0  0
 14  2  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 15  2  1  0  0  0
 15 39  1  0  0  0
 15 40  1  0  0  0
 16  4  1  0  0  0
 17 41  1  0  0  0
 18 17  1  0  0  0
 18 42  1  0  0  0
 20 43  1  0  0  0
 21  9  2  0  0  0
 22 44  1  0  0  0
M  END
$$$$
