A1ESS
  CCTOOLS-0703261016

 38 38  0  0  1  0  0  0  0  0999 V2000
    1.7100    0.0150   -0.2720 C   0  0  0  0  0
    2.8830    0.6280   -0.6720 C   0  0  0  0  0
    3.6020    1.3970    0.2240 C   0  0  0  0  0
    0.9270   -0.8240   -1.2490 C   0  0  0  0  0
   -0.3690   -1.2560   -0.6130 C   0  0  0  0  0
   -1.4610   -0.5690   -0.8230 C   0  0  0  0  0
   -4.2740    0.9680    0.5370 C   0  0  0  0  0
   -1.8510    1.3890    0.9780 C   0  0  0  0  0
    3.1470    1.5540    1.5200 C   0  0  0  0  0
   -2.5530    0.1180   -1.0320 C   0  0  0  0  0
   -2.9180    1.2530   -0.1110 C   0  0  0  0  0
   -2.9980    2.5540   -0.9110 C   0  0  0  0  0
    3.3790    0.4560   -2.0850 C   0  0  0  0  0
    1.9740    0.9420    1.9200 C   0  0  0  0  0
    1.2590    0.1670    1.0260 C   0  0  0  0  0
   -0.4030   -2.3940    0.2020 C   0  0  0  0  0
    0.5870   -3.0930    0.3150 O   0  0  0  0  0
   -1.5370   -2.7170    0.8650 O   0  0  0  0  0
    4.5180    1.8750   -0.0890 H   0  0  0  0  0
    0.7150   -0.2370   -2.1430 H   0  0  0  0  0
    1.5100   -1.7040   -1.5210 H   0  0  0  0  0
   -4.5380    1.7890    1.2040 H   0  0  0  0  0
   -5.0340    0.8710   -0.2380 H   0  0  0  0  0
   -4.2170    0.0410    1.1070 H   0  0  0  0  0
   -0.8850    1.5920    0.5160 H   0  0  0  0  0
   -2.1150    2.2100    1.6440 H   0  0  0  0  0
   -1.7940    0.4620    1.5480 H   0  0  0  0  0
    3.7090    2.1540    2.2200 H   0  0  0  0  0
   -3.1940   -0.1280   -1.8660 H   0  0  0  0  0
   -2.0320    2.7570   -1.3730 H   0  0  0  0  0
   -3.7580    2.4570   -1.6870 H   0  0  0  0  0
   -3.2620    3.3750   -0.2450 H   0  0  0  0  0
    3.9400   -0.4750   -2.1630 H   0  0  0  0  0
    2.5290    0.4270   -2.7670 H   0  0  0  0  0
    4.0260    1.2930   -2.3470 H   0  0  0  0  0
    1.6190    1.0650    2.9320 H   0  0  0  0  0
    0.3450   -0.3150    1.3400 H   0  0  0  0  0
   -1.4640   -3.5180    1.4020 H   0  0  0  0  0
  1  4  1  0  0  0
  1 15  2  0  0  0
  2  3  2  0  0  0
  2  1  1  0  0  0
  3  9  1  0  0  0
  3 19  1  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  4 21  1  0  0  0
  5  6  2  0  0  0
  6 10  2  0  0  0
  7 22  1  0  0  0
  7 23  1  0  0  0
  7 24  1  0  0  0
  8 11  1  0  0  0
  8 25  1  0  0  0
  8 26  1  0  0  0
  8 27  1  0  0  0
  9 14  2  0  0  0
  9 28  1  0  0  0
 10 11  1  0  0  0
 10 29  1  0  0  0
 11 12  1  0  0  0
 11  7  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 12 32  1  0  0  0
 13  2  1  0  0  0
 13 33  1  0  0  0
 13 34  1  0  0  0
 13 35  1  0  0  0
 14 36  1  0  0  0
 15 14  1  0  0  0
 15 37  1  0  0  0
 16 18  1  0  0  0
 16  5  1  0  0  0
 17 16  2  0  0  0
 18 38  1  0  0  0
M  END
$$$$
