A1KB4
  CCTOOLS-0828261229

 27 27  0  0  1  0  0  0  0  0999 V2000
    2.1760    0.9940   -0.1210 C   0  0  0  0  0
   -1.4500    0.2770   -0.4150 C   0  0  0  0  0
   -1.4960   -1.1300    0.1850 C   0  0  0  0  0
   -0.2870   -1.9290   -0.3120 C   0  0  0  0  0
    0.9950   -1.1790    0.0620 C   0  0  0  0  0
    0.9450    0.2300   -0.5340 C   0  0  0  0  0
   -0.2190    0.9070   -0.0550 O   0  0  0  0  0
   -2.6220    1.1000    0.1230 C   0  0  0  0  0
   -2.6460    2.3740   -0.5240 O   0  0  0  0  0
   -1.4570   -1.0430    1.6110 O   0  0  0  0  0
   -0.3610   -2.0750   -1.7310 O   0  0  0  0  0
    3.3910    0.5990   -0.5520 N   0  0  0  0  0
    2.0740    1.9680    0.5950 O   0  0  0  0  0
    1.1000   -1.0930    1.4850 O   0  0  0  0  0
   -1.5210    0.2110   -1.5010 H   0  0  0  0  0
   -2.4150   -1.6290   -0.1250 H   0  0  0  0  0
   -0.2840   -2.9140    0.1560 H   0  0  0  0  0
    1.8580   -1.7130   -0.3350 H   0  0  0  0  0
    0.9060    0.1640   -1.6210 H   0  0  0  0  0
   -3.5560    0.5750   -0.0730 H   0  0  0  0  0
   -2.5030    1.2410    1.1980 H   0  0  0  0  0
   -3.3650    2.9510   -0.2300 H   0  0  0  0  0
   -1.4790   -1.9000    2.0590 H   0  0  0  0  0
    0.3740   -2.5720   -2.1150 H   0  0  0  0  0
    3.4720   -0.1770   -1.1280 H   0  0  0  0  0
    4.1830    1.0910   -0.2860 H   0  0  0  0  0
    1.8900   -0.6290    1.7930 H   0  0  0  0  0
  1  6  1  0  0  0
  1 13  2  0  0  0
  2  8  1  0  0  0
  2 15  1  0  0  0
  3  4  1  0  0  0
  3  2  1  0  0  0
  3 10  1  0  0  0
  3 16  1  0  0  0
  4 17  1  0  0  0
  5  4  1  0  0  0
  5 14  1  0  0  0
  5 18  1  0  0  0
  6  5  1  0  0  0
  6  7  1  0  0  0
  6 19  1  0  0  0
  7  2  1  0  0  0
  8  9  1  0  0  0
  8 20  1  0  0  0
  8 21  1  0  0  0
  9 22  1  0  0  0
 10 23  1  0  0  0
 11  4  1  0  0  0
 11 24  1  0  0  0
 12  1  1  0  0  0
 12 25  1  0  0  0
 12 26  1  0  0  0
 14 27  1  0  0  0
M  END
$$$$
