A1ES6
  CCTOOLS-0710261011

 56 59  0  0  1  0  0  0  0  0999 V2000
    6.1340   -1.1170    2.4960 C   0  0  0  0  0
    2.3180   -0.0950   -1.2420 C   0  0  0  0  0
    1.3480    0.9070   -1.0060 C   0  0  0  0  0
    0.0580    0.5610   -0.7790 C   0  0  0  0  0
   -0.9460    1.5980   -0.5350 C   0  0  0  0  0
   -0.5810    2.9480   -0.5400 C   0  0  0  0  0
   -1.5290    3.9220   -0.3100 C   0  0  0  0  0
   -2.8540    3.5830   -0.0690 C   0  0  0  0  0
   -3.2470    2.2460   -0.0570 C   0  0  0  0  0
   -2.2950    1.2440   -0.2970 C   0  0  0  0  0
   -2.9860    0.0110   -0.2290 C   0  0  0  0  0
    6.1630   -1.2840    1.1210 C   0  0  0  0  0
   -4.2860    0.3010    0.0330 C   0  0  0  0  0
   -5.3670   -0.6940    0.1870 C   0  0  0  0  0
   -5.0860   -2.0570    0.0690 C   0  0  0  0  0
   -6.0970   -2.9840    0.2140 C   0  0  0  0  0
   -7.3930   -2.5670    0.4750 C   0  0  0  0  0
   -7.6810   -1.2090    0.5940 C   0  0  0  0  0
   -6.6710   -0.2740    0.4570 C   0  0  0  0  0
    5.8850   -0.2150    0.2890 C   0  0  0  0  0
    5.5770    1.0210    0.8260 C   0  0  0  0  0
    5.5470    1.1940    2.1970 C   0  0  0  0  0
    5.8240    0.1270    3.0360 C   0  0  0  0  0
    5.9170   -0.3980   -1.2070 C   0  0  0  0  0
    4.5290   -0.8140   -1.7000 C   0  0  0  0  0
    4.5900   -1.1160   -3.1750 C   0  0  0  0  0
    5.7940    0.2960    4.3850 O   0  0  0  0  0
   -8.9530   -0.8030    0.8490 O   0  0  0  0  0
    6.4020   -2.1690    3.3150 O   0  0  0  0  0
    3.6030    0.2500   -1.4690 O   0  0  0  0  0
    5.3210   -2.1500   -3.6190 O   0  0  0  0  0
    3.9800   -0.4270   -3.9580 O   0  0  0  0  0
    1.9940   -1.2680   -1.2410 O   0  0  0  0  0
   -4.4350    1.6360    0.1440 O   0  0  0  0  0
   -3.7720    4.5580    0.1560 O   0  0  0  0  0
   -8.3860   -3.4840    0.6160 O   0  0  0  0  0
    1.6360    1.9480   -1.0070 H   0  0  0  0  0
   -0.2300   -0.4800   -0.7780 H   0  0  0  0  0
    0.4450    3.2280   -0.7250 H   0  0  0  0  0
   -1.2380    4.9620   -0.3160 H   0  0  0  0  0
   -2.5600   -0.9730   -0.3610 H   0  0  0  0  0
    6.4030   -2.2480    0.6990 H   0  0  0  0  0
   -4.0770   -2.3850   -0.1350 H   0  0  0  0  0
   -5.8780   -4.0380    0.1220 H   0  0  0  0  0
   -6.8920    0.7790    0.5530 H   0  0  0  0  0
    5.3610    1.8540    0.1720 H   0  0  0  0  0
    5.3070    2.1610    2.6140 H   0  0  0  0  0
    6.2050    0.5400   -1.6820 H   0  0  0  0  0
    6.6400   -1.1720   -1.4630 H   0  0  0  0  0
    4.2030   -1.7030   -1.1600 H   0  0  0  0  0
    6.6410    0.5610    4.7680 H   0  0  0  0  0
   -9.1600   -0.7260    1.7910 H   0  0  0  0  0
    7.3370   -2.2600    3.5450 H   0  0  0  0  0
    5.3290   -2.3040   -4.5730 H   0  0  0  0  0
   -4.2050    4.8830   -0.6450 H   0  0  0  0  0
   -8.5120   -3.7920    1.5240 H   0  0  0  0  0
  1 12  2  0  0  0
  1 23  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 33  2  0  0  0
  3  4  2  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
  5 10  2  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 39  1  0  0  0
  7  8  1  0  0  0
  7 40  1  0  0  0
  8  9  2  0  0  0
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 10 11  1  0  0  0
 11 13  2  0  0  0
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 12 20  1  0  0  0
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 30  2  1  0  0  0
 31 54  1  0  0  0
 35 55  1  0  0  0
 36 56  1  0  0  0
M  END
$$$$
