PBA
  CCTOOLS-1004241119

 22 22  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.1740    2.8700 B   0  0  0  0  0
   -0.0060   -1.1910    3.8610 O   0  0  0  0  0
    0.0060    1.1910    3.2550 O   0  0  0  0  0
   -0.0030   -0.5610    1.3490 C   0  0  0  0  0
    0.0030    0.7100    0.4990 C   0  0  0  0  0
    0.0010    0.3380   -0.9610 C   0  0  0  0  0
   -1.1960    0.1750   -1.6310 C   0  0  0  0  0
    1.1980    0.1670   -1.6320 C   0  0  0  0  0
   -1.1980   -0.1650   -2.9700 C   0  0  0  0  0
    1.1960   -0.1770   -2.9710 C   0  0  0  0  0
   -0.0020   -0.3420   -3.6400 C   0  0  0  0  0
   -0.0030   -0.7450    4.7190 H   0  0  0  0  0
    0.0060    1.2090    4.2220 H   0  0  0  0  0
    0.8830   -1.1540    1.1230 H   0  0  0  0  0
   -0.8960   -1.1440    1.1230 H   0  0  0  0  0
   -0.8830    1.3020    0.7240 H   0  0  0  0  0
    0.8970    1.2930    0.7240 H   0  0  0  0  0
   -2.1300    0.3120   -1.1070 H   0  0  0  0  0
    2.1340    0.2960   -1.1090 H   0  0  0  0  0
   -2.1340   -0.2940   -3.4940 H   0  0  0  0  0
    2.1300   -0.3150   -3.4940 H   0  0  0  0  0
   -0.0030   -0.6090   -4.6870 H   0  0  0  0  0
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0
  2 12  1  0  0  0
  3 13  1  0  0  0
  4  5  1  0  0  0
  4 14  1  0  0  0
  4 15  1  0  0  0
  5  6  1  0  0  0
  5 16  1  0  0  0
  5 17  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7  9  1  0  0  0
  7 18  1  0  0  0
  8 10  2  0  0  0
  8 19  1  0  0  0
  9 11  2  0  0  0
  9 20  1  0  0  0
 10 11  1  0  0  0
 10 21  1  0  0  0
 11 22  1  0  0  0
M  END
$$$$