A1I1N
  CCTOOLS-0717261001

 23 23  0  0  0  0  0  0  0  0999 V2000
    3.4460   -0.5840   -0.8210 C   0  0  0  0  0
    2.7750   -0.3440    0.5340 C   0  0  0  0  0
    1.3680    0.1500    0.3170 C   0  0  0  0  0
    0.3260   -0.7550    0.2210 C   0  0  0  0  0
   -0.9680   -0.3030    0.0210 C   0  0  0  0  0
   -1.2170    1.0620   -0.0820 C   0  0  0  0  0
   -0.1690    1.9640    0.0140 C   0  0  0  0  0
    1.1200    1.5060    0.2190 C   0  0  0  0  0
   -1.6630   -2.5770    0.0420 C   0  0  0  0  0
   -2.4850    1.5110   -0.2780 O   0  0  0  0  0
   -1.9930   -1.1920   -0.0730 O   0  0  0  0  0
    4.4640   -0.9410   -0.6640 H   0  0  0  0  0
    2.8810   -1.3310   -1.3790 H   0  0  0  0  0
    3.4710    0.3490   -1.3840 H   0  0  0  0  0
    2.7500   -1.2770    1.0970 H   0  0  0  0  0
    3.3400    0.4030    1.0920 H   0  0  0  0  0
    0.5220   -1.8140    0.3010 H   0  0  0  0  0
   -0.3590    3.0240   -0.0660 H   0  0  0  0  0
    1.9360    2.2090    0.2940 H   0  0  0  0  0
   -2.5700   -3.1750   -0.0520 H   0  0  0  0  0
   -0.9640   -2.8510   -0.7480 H   0  0  0  0  0
   -1.2050   -2.7620    1.0130 H   0  0  0  0  0
   -2.9720    1.6860    0.5390 H   0  0  0  0  0
  1  2  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  2 15  1  0  0  0
  2 16  1  0  0  0
  3  4  1  0  0  0
  3  2  1  0  0  0
  4 17  1  0  0  0
  5 11  1  0  0  0
  5  4  2  0  0  0
  6  5  1  0  0  0
  7  6  2  0  0  0
  7  8  1  0  0  0
  7 18  1  0  0  0
  8  3  2  0  0  0
  8 19  1  0  0  0
  9 20  1  0  0  0
  9 21  1  0  0  0
  9 22  1  0  0  0
 10  6  1  0  0  0
 10 23  1  0  0  0
 11  9  1  0  0  0
M  END
$$$$
