A1J27
  CCTOOLS-0619261019

 27 27  0  0  0  0  0  0  0  0999 V2000
    0.3950   -0.9630    0.2890 C   0  0  0  0  0
    1.2320    0.1200    0.4890 C   0  0  0  0  0
    0.7260    1.4050    0.4440 C   0  0  0  0  0
   -0.6190    1.6140    0.1990 C   0  0  0  0  0
    2.6980   -0.1030    0.7570 C   0  0  0  0  0
    4.4620    0.6890   -0.7340 C   0  0  0  0  0
   -1.1850   -3.1230   -0.0950 C   0  0  0  0  0
   -1.7770   -1.8240   -0.1560 O   0  0  0  0  0
   -0.9530   -0.7610    0.0420 C   0  0  0  0  0
    3.4500   -0.1220   -0.5490 C   0  0  0  0  0
   -1.4620    0.5340   -0.0030 C   0  0  0  0  0
   -2.7850    0.7380   -0.2450 O   0  0  0  0  0
   -3.2370    2.0940   -0.2770 C   0  0  0  0  0
    0.7930   -1.9670    0.3200 H   0  0  0  0  0
    1.3820    2.2480    0.6020 H   0  0  0  0  0
   -1.0120    2.6200    0.1650 H   0  0  0  0  0
    3.0790    0.7030    1.3840 H   0  0  0  0  0
    2.8330   -1.0560    1.2680 H   0  0  0  0  0
    4.7570    1.3720    0.0490 H   0  0  0  0  0
    5.0000    0.6750   -1.6700 H   0  0  0  0  0
   -0.4120   -3.2060   -0.8590 H   0  0  0  0  0
   -0.7420   -3.2750    0.8890 H   0  0  0  0  0
   -1.9510   -3.8800   -0.2700 H   0  0  0  0  0
    3.1540   -0.8050   -1.3320 H   0  0  0  0  0
   -3.0390    2.5660    0.6850 H   0  0  0  0  0
   -2.7090    2.6340   -1.0620 H   0  0  0  0  0
   -4.3080    2.1150   -0.4790 H   0  0  0  0  0
  1  9  2  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 15  1  0  0  0
  4 16  1  0  0  0
  5  2  1  0  0  0
  5 10  1  0  0  0
  5 17  1  0  0  0
  5 18  1  0  0  0
  6 19  1  0  0  0
  6 20  1  0  0  0
  7  8  1  0  0  0
  7 21  1  0  0  0
  7 22  1  0  0  0
  7 23  1  0  0  0
  8  9  1  0  0  0
  9 11  1  0  0  0
 10  6  2  0  0  0
 10 24  1  0  0  0
 11 12  1  0  0  0
 11  4  2  0  0  0
 12 13  1  0  0  0
 13 25  1  0  0  0
 13 26  1  0  0  0
 13 27  1  0  0  0
M  END
$$$$
