TKX
  CCTOOLS-1004241124

 29 30  0  0  0  0  0  0  0  0999 V2000
   -2.5340    0.1910    0.1080 C   0  0  0  0  0
   -4.4110   -1.2450   -0.2840 C   0  0  0  0  0
   -2.3050   -2.1840   -0.2030 C   0  0  0  0  0
    4.3900    0.2830    0.8560 C   0  0  0  0  0
    3.8270    0.4830   -0.3920 C   0  0  0  0  0
    2.4530    0.5490   -0.5280 C   0  0  0  0  0
    1.6410    0.4160    0.5830 C   0  0  0  0  0
    0.1430    0.4870    0.4340 C   0  0  0  0  0
   -1.7170   -0.9340    0.0360 C   0  0  0  0  0
   -3.8990    0.0270   -0.0550 C   0  0  0  0  0
   -1.4600   -3.3860   -0.2830 C   0  0  0  0  0
    2.2030    0.2160    1.8300 C   0  0  0  0  0
    3.5760    0.1440    1.9660 C   0  0  0  0  0
    4.6960    0.6260   -1.5820 N   0  3  0  0  0
   -3.6230   -2.2920   -0.3480 N   0  0  0  0  0
    5.9070    0.5680   -1.4620 O   0  5  0  0  0
    4.2010    0.8020   -2.6810 O   0  0  0  0  0
   -0.3750   -0.8230    0.1940 O   0  0  0  0  0
   -0.2590   -3.2930   -0.1420 O   0  0  0  0  0
   -5.0560    1.5200    0.0340 BR  0  0  0  0  0
    6.1150    0.2000    1.0270 CL  0  0  0  0  0
   -2.1140    1.1690    0.2910 H   0  0  0  0  0
   -5.4770   -1.3740   -0.4070 H   0  0  0  0  0
    2.0140    0.7050   -1.5020 H   0  0  0  0  0
   -0.2940    0.8890    1.3480 H   0  0  0  0  0
   -0.1080    1.1370   -0.4050 H   0  0  0  0  0
   -1.9090   -4.3510   -0.4670 H   0  0  0  0  0
    1.5680    0.1120    2.6980 H   0  0  0  0  0
    4.0150   -0.0120    2.9410 H   0  0  0  0  0
  1  9  1  0  0  0
  1 22  1  0  0  0
  2 15  2  0  0  0
  2 10  1  0  0  0
  2 23  1  0  0  0
  3 11  1  0  0  0
  3  9  2  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  5 14  1  0  0  0
  6  5  2  0  0  0
  6 24  1  0  0  0
  7  6  1  0  0  0
  8  7  1  0  0  0
  8 25  1  0  0  0
  8 26  1  0  0  0
  9 18  1  0  0  0
 10  1  2  0  0  0
 11 27  1  0  0  0
 12  7  2  0  0  0
 12 13  1  0  0  0
 12 28  1  0  0  0
 13  4  2  0  0  0
 13 29  1  0  0  0
 14 17  2  0  0  0
 14 16  1  0  0  0
 15  3  1  0  0  0
 18  8  1  0  0  0
 19 11  2  0  0  0
 20 10  1  0  0  0
M  CHG  1  14   1
M  CHG  1  16  -1
M  END
$$$$