94X
  CCTOOLS-0919241036

 29 29  0  0  1  0  0  0  0  0999 V2000
    4.4330    0.3930    0.2230 BR  0  0  0  0  0
    2.6290   -0.0260   -0.1600 C   0  0  0  0  0
    2.2030   -1.3420   -0.1310 C   0  0  0  0  0
    0.8830   -1.6470   -0.4060 C   0  0  0  0  0
    1.7340    0.9840   -0.4640 C   0  0  0  0  0
    0.4150    0.6770   -0.7440 C   0  0  0  0  0
   -0.0110   -0.6370   -0.7090 C   0  0  0  0  0
   -1.4500   -0.9710   -1.0080 C   0  0  0  0  0
   -2.2590   -0.9490    0.2900 C   0  0  0  0  0
   -1.8020   -1.9900    1.1540 O   0  0  0  0  0
   -3.7180   -1.1610   -0.0240 C   0  0  0  0  0
   -4.5640   -0.1340    0.0190 C   0  0  0  0  0
   -4.0490    1.2370    0.1370 C   0  0  0  0  0
   -4.9030    2.2630    0.3270 O   0  0  0  0  0
   -2.8540    1.4470    0.0640 O   0  0  0  0  0
   -6.0490   -0.3780   -0.0530 C   0  0  0  0  0
    2.9020   -2.1300    0.1050 H   0  0  0  0  0
    0.5510   -2.6740   -0.3840 H   0  0  0  0  0
    2.0640    2.0120   -0.4820 H   0  0  0  0  0
   -0.2840    1.4650   -0.9810 H   0  0  0  0  0
   -1.8570   -0.2360   -1.7030 H   0  0  0  0  0
   -1.5080   -1.9630   -1.4560 H   0  0  0  0  0
   -2.1300    0.0150    0.7820 H   0  0  0  0  0
   -1.9320   -2.8810    0.8000 H   0  0  0  0  0
   -4.0770   -2.1450   -0.2830 H   0  0  0  0  0
   -4.5170    3.1480    0.3990 H   0  0  0  0  0
   -6.4450   -0.5110    0.9540 H   0  0  0  0  0
   -6.5350    0.4760   -0.5250 H   0  0  0  0  0
   -6.2420   -1.2760   -0.6410 H   0  0  0  0  0
  2  5  1  0  0  0
  2  1  1  0  0  0
  3  2  2  0  0  0
  3 17  1  0  0  0
  4  7  2  0  0  0
  4  3  1  0  0  0
  4 18  1  0  0  0
  5 19  1  0  0  0
  6  5  2  0  0  0
  6 20  1  0  0  0
  7  6  1  0  0  0
  8  7  1  0  0  0
  8 21  1  0  0  0
  8 22  1  0  0  0
  9 10  1  0  0  0
  9  8  1  0  0  0
  9 23  1  0  0  0
 10 24  1  0  0  0
 11  9  1  0  0  0
 11 25  1  0  0  0
 12 11  2  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 14 26  1  0  0  0
 15 13  2  0  0  0
 16 12  1  0  0  0
 16 27  1  0  0  0
 16 28  1  0  0  0
 16 29  1  0  0  0
M  END
$$$$