A1EKK
  CCTOOLS-0116261006

 59 58  0  0  1  0  0  0  0  0999 V2000
    1.1960    1.9140    0.0430 C   0  0  0  0  0
   -1.1980    1.1980    0.0610 C   0  0  0  0  0
   -3.5660    0.4040   -0.0050 C   0  0  0  0  0
   -5.9340   -0.3900   -0.0700 C   0  0  0  0  0
  -10.5900   -1.7000   -0.4170 C   0  0  0  0  0
   10.8470   -3.1810    0.1790 C   0  0  0  0  0
    9.4500   -2.8710   -0.3620 C   0  0  0  0  0
    9.0350   -1.4640    0.0720 C   0  0  0  0  0
    7.6380   -1.1540   -0.4680 C   0  0  0  0  0
    7.2240    0.2530   -0.0340 C   0  0  0  0  0
    5.8470    0.5580   -0.5670 C   0  0  0  0  0
    4.8820    0.9350    0.2640 C   0  0  0  0  0
    3.5380    1.2330   -0.2550 C   0  0  0  0  0
    2.5720    1.6090    0.5760 C   0  0  0  0  0
    0.1780    0.9740    0.6920 C   0  0  0  0  0
    0.8560    3.2680    0.3490 O   0  0  0  0  0
    0.1980    3.9570   -0.7160 C   0  0  0  0  0
   -2.1900    0.1800    0.6270 C   0  0  0  0  0
   -4.5580   -0.6140    0.5610 C   0  0  0  0  0
   -6.9260   -1.4080    0.4960 C   0  0  0  0  0
   -8.2810   -1.1870   -0.1260 C   0  0  0  0  0
   -9.3150   -1.9690    0.2220 O   0  0  0  0  0
   -8.4370   -0.3060   -0.9380 O   0  0  0  0  0
    1.1850    1.7720   -1.0370 H   0  0  0  0  0
   -1.5420    2.2070    0.2890 H   0  0  0  0  0
   -1.1260    1.0740   -1.0200 H   0  0  0  0  0
   -3.9100    1.4130    0.2230 H   0  0  0  0  0
   -3.4940    0.2800   -1.0850 H   0  0  0  0  0
   -6.2780    0.6190    0.1580 H   0  0  0  0  0
   -5.8620   -0.5140   -1.1510 H   0  0  0  0  0
  -10.4880   -1.8140   -1.4960 H   0  0  0  0  0
  -11.3380   -2.4010   -0.0470 H   0  0  0  0  0
  -10.9030   -0.6810   -0.1880 H   0  0  0  0  0
   11.5580   -2.4550   -0.2150 H   0  0  0  0  0
   10.8360   -3.1250    1.2670 H   0  0  0  0  0
   11.1420   -4.1840   -0.1310 H   0  0  0  0  0
    9.4610   -2.9270   -1.4510 H   0  0  0  0  0
    8.7390   -3.5970    0.0320 H   0  0  0  0  0
    9.0240   -1.4080    1.1610 H   0  0  0  0  0
    9.7470   -0.7380   -0.3220 H   0  0  0  0  0
    7.6490   -1.2100   -1.5570 H   0  0  0  0  0
    6.9270   -1.8800   -0.0750 H   0  0  0  0  0
    7.2130    0.3090    1.0540 H   0  0  0  0  0
    7.9350    0.9790   -0.4280 H   0  0  0  0  0
    5.6460    0.4710   -1.6240 H   0  0  0  0  0
    5.0830    1.0220    1.3220 H   0  0  0  0  0
    3.3370    1.1450   -1.3130 H   0  0  0  0  0
    2.7740    1.6960    1.6330 H   0  0  0  0  0
    0.4860   -0.0600    0.5350 H   0  0  0  0  0
    0.1250    1.1790    1.7620 H   0  0  0  0  0
    0.8050    3.8930   -1.6200 H   0  0  0  0  0
   -0.7740    3.4990   -0.8990 H   0  0  0  0  0
    0.0620    5.0030   -0.4430 H   0  0  0  0  0
   -1.8460   -0.8290    0.3990 H   0  0  0  0  0
   -2.2620    0.3040    1.7070 H   0  0  0  0  0
   -4.2140   -1.6220    0.3330 H   0  0  0  0  0
   -4.6300   -0.4890    1.6420 H   0  0  0  0  0
   -6.5820   -2.4160    0.2680 H   0  0  0  0  0
   -6.9980   -1.2830    1.5760 H   0  0  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 24  1  0  0  0
  2 15  1  0  0  0
  2 18  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3 18  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4 19  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  6 35  1  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  8 40  1  0  0  0
  9 10  1  0  0  0
  9 41  1  0  0  0
  9 42  1  0  0  0
 10 11  1  0  0  0
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 22  5  1  0  0  0
 23 21  2  0  0  0
M  END
$$$$
