JKE
  CCTOOLS-0227261046

 16 16  0  0  0  0  0  0  0  0999 V2000
    0.6280    2.1130    0.0310 S   0  0  0  0  0
    1.4600   -0.8130    0.0050 C   0  0  0  0  0
    0.0080   -0.5670    0.0050 C   0  0  0  0  0
   -1.8590    0.9660    0.0150 C   0  0  0  0  0
    2.2350    0.1230    0.0150 O   0  0  0  0  0
   -2.2440   -1.4030   -0.0130 C   0  0  0  0  0
    1.9290   -2.0760   -0.0050 O   0  0  0  0  0
   -0.4860    0.7480    0.0160 C   0  0  0  0  0
   -0.8870   -1.6400   -0.0120 C   0  0  0  0  0
   -2.7290   -0.1040    0.0040 C   0  0  0  0  0
    0.7870    2.3160   -1.3550 H   0  0  0  0  0
   -2.2450    1.9750    0.0230 H   0  0  0  0  0
   -2.9340   -2.2330   -0.0260 H   0  0  0  0  0
   -0.5160   -2.6540   -0.0250 H   0  0  0  0  0
   -3.7940    0.0710    0.0030 H   0  0  0  0  0
    2.8900   -2.1880   -0.0040 H   0  0  0  0  0
  1  8  1  0  0  0
  1 11  1  0  0  0
  2  3  1  0  0  0
  2  5  2  0  0  0
  2  7  1  0  0  0
  3  8  2  0  0  0
  3  9  1  0  0  0
  4  8  1  0  0  0
  4 10  2  0  0  0
  4 12  1  0  0  0
  6  9  2  0  0  0
  6 10  1  0  0  0
  6 13  1  0  0  0
  7 16  1  0  0  0
  9 14  1  0  0  0
 10 15  1  0  0  0
M  END
$$$$
