A1IB9
  CCTOOLS-0410261002

 22 22  0  0  0  0  0  0  0  0999 V2000
    4.5450    0.1070   -0.2940 C   0  0  0  0  0
    3.0670   -0.1830   -0.2470 C   0  0  0  0  0
    2.2000    0.8130   -0.1260 C   0  0  0  0  0
    0.7500    0.5290   -0.0800 C   0  0  0  0  0
   -0.1650    1.5750    0.0480 C   0  0  0  0  0
   -1.5170    1.3030    0.0900 C   0  0  0  0  0
   -1.9660   -0.0030    0.0060 C   0  0  0  0  0
   -1.0640   -1.0440   -0.1200 C   0  0  0  0  0
    0.2910   -0.7850   -0.1690 C   0  0  0  0  0
   -3.4180   -0.2870    0.0530 N   0  3  0  0  0
   -4.2140    0.6280    0.1650 O   0  0  0  0  0
   -3.8160   -1.4360   -0.0210 O   0  5  0  0  0
    5.2380   -0.8100    0.5560 O   0  0  0  0  0
    4.9050   -0.0040   -1.3170 H   0  0  0  0  0
    4.7270    1.1260    0.0460 H   0  0  0  0  0
    2.7140   -1.2010   -0.3120 H   0  0  0  0  0
    2.5530    1.8320   -0.0610 H   0  0  0  0  0
    0.1850    2.5950    0.1140 H   0  0  0  0  0
   -2.2260    2.1120    0.1890 H   0  0  0  0  0
   -1.4210   -2.0610   -0.1850 H   0  0  0  0  0
    0.9940   -1.5990   -0.2680 H   0  0  0  0  0
    6.1960   -0.6820    0.5750 H   0  0  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2  1  1  0  0  0
  2 16  1  0  0  0
  3  2  2  0  0  0
  3 17  1  0  0  0
  4  3  1  0  0  0
  5  4  2  0  0  0
  5 18  1  0  0  0
  6  5  1  0  0  0
  6 19  1  0  0  0
  7  6  2  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 20  1  0  0  0
  9  4  1  0  0  0
  9 21  1  0  0  0
 10  7  1  0  0  0
 11 10  2  0  0  0
 12 10  1  0  0  0
 13 22  1  0  0  0
M  CHG  1  10   1
M  CHG  1  12  -1
M  END
$$$$
