XLB
  CCTOOLS-0919241035

 33 34  0  0  0  0  0  0  0  0999 V2000
   -4.9340    1.0990    0.0010 C   0  0  0  0  0
   -4.6680   -0.2720   -0.0000 C   0  0  0  0  0
   -3.3490   -0.7230   -0.0010 C   0  0  0  0  0
   -2.3040    0.2000   -0.0010 C   0  0  0  0  0
   -2.5860    1.5710    0.0010 C   0  0  0  0  0
   -3.8950    2.0090    0.0010 C   0  0  0  0  0
   -0.9060   -0.2660   -0.0010 C   0  0  0  0  0
    0.1000    0.6250   -0.0000 C   0  0  0  0  0
    1.4960    0.1590   -0.0010 C   0  0  0  0  0
    2.5450    1.0870   -0.0000 C   0  0  0  0  0
    3.8490    0.6460    0.0000 C   0  0  0  0  0
    4.1210   -0.7240   -0.0000 C   0  0  0  0  0
    3.0720   -1.6450   -0.0010 C   0  0  0  0  0
    1.7770   -1.2120    0.0040 C   0  0  0  0  0
   -5.7820   -1.2430   -0.0000 C   0  0  0  0  0
    6.6750   -0.2920    0.0010 O   0  0  0  0  0
    5.8840   -2.6210   -0.0000 O   0  0  0  0  0
   -5.5490   -2.4350   -0.0010 O   0  0  0  0  0
   -7.0560   -0.8050    0.0010 O   0  0  0  0  0
    2.2020    2.7890   -0.0010 CL  0  0  0  0  0
    5.6070   -1.2280    0.0000 B   0  0  0  0  0
   -5.9560    1.4500   -0.0030 H   0  0  0  0  0
   -3.1380   -1.7820   -0.0020 H   0  0  0  0  0
   -1.7780    2.2870    0.0010 H   0  0  0  0  0
   -4.1070    3.0680    0.0020 H   0  0  0  0  0
   -0.6900   -1.3240   -0.0010 H   0  0  0  0  0
   -0.1160    1.6840    0.0000 H   0  0  0  0  0
    4.6610    1.3580    0.0000 H   0  0  0  0  0
    3.2850   -2.7040   -0.0020 H   0  0  0  0  0
    0.9690   -1.9280    0.0090 H   0  0  0  0  0
    7.5530   -0.6970    0.0010 H   0  0  0  0  0
    6.8270   -2.8340    0.0000 H   0  0  0  0  0
   -7.7510   -1.4780    0.0010 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3 23  1  0  0  0
  4  7  1  0  0  0
  5  4  1  0  0  0
  5 24  1  0  0  0
  6  5  2  0  0  0
  6 25  1  0  0  0
  7  8  2  0  0  0
  7 26  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 28  1  0  0  0
 12 21  1  0  0  0
 13 12  1  0  0  0
 13 29  1  0  0  0
 14 13  2  0  0  0
 14 30  1  0  0  0
 15 19  1  0  0  0
 15  2  1  0  0  0
 16 31  1  0  0  0
 17 32  1  0  0  0
 18 15  2  0  0  0
 19 33  1  0  0  0
 20 10  1  0  0  0
 21 16  1  0  0  0
 21 17  1  0  0  0
M  END
$$$$
