TZH
  CCTOOLS-0410261002

 30 31  0  0  0  0  0  0  0  0999 V2000
   -1.5500   -0.8390    0.0860 C   0  0  0  0  0
   -2.8670   -0.7260   -0.3160 C   0  0  0  0  0
   -3.4730    0.5160   -0.3610 C   0  0  0  0  0
   -2.7630    1.6480   -0.0050 C   0  0  0  0  0
   -1.4460    1.5400    0.3970 C   0  0  0  0  0
   -0.8360    0.2950    0.4440 C   0  0  0  0  0
    1.3950    0.2050   -0.1230 C   0  0  0  0  0
    2.8420   -0.0280    0.2280 C   0  0  0  0  0
    3.7910    0.0620   -0.9790 C   0  0  0  0  0
    4.7740    0.7960   -0.0520 C   0  0  0  0  0
    3.5500    1.2200    0.7810 C   0  0  0  0  0
   -3.4260    3.0000   -0.0570 C   0  0  0  0  0
   -0.9040   -2.1700    0.1400 N   0  3  0  0  0
   -1.5340   -3.1650   -0.1690 O   0  0  0  0  0
    0.4600    0.1860    0.8400 O   0  0  0  0  0
    1.0770    0.4080   -1.2700 O   0  0  0  0  0
    0.2570   -2.2690    0.4950 O   0  5  0  0  0
   -3.4240   -1.6080   -0.5950 H   0  0  0  0  0
   -4.5030    0.6030   -0.6760 H   0  0  0  0  0
   -0.8910    2.4240    0.6750 H   0  0  0  0  0
    2.9930   -0.9200    0.8360 H   0  0  0  0  0
    4.1550   -0.9070   -1.3220 H   0  0  0  0  0
    3.4080    0.6810   -1.7900 H   0  0  0  0  0
    5.4530    0.1300    0.4800 H   0  0  0  0  0
    5.2870    1.6300   -0.5320 H   0  0  0  0  0
    3.1020    2.1580    0.4520 H   0  0  0  0  0
    3.7220    1.1860    1.8570 H   0  0  0  0  0
   -3.8930    3.2130    0.9050 H   0  0  0  0  0
   -2.6780    3.7630   -0.2740 H   0  0  0  0  0
   -4.1860    3.0030   -0.8380 H   0  0  0  0  0
  1  2  1  0  0  0
  2  3  2  0  0  0
  2 18  1  0  0  0
  3 19  1  0  0  0
  4  3  1  0  0  0
  4 12  1  0  0  0
  5  4  2  0  0  0
  5 20  1  0  0  0
  6  1  2  0  0  0
  6  5  1  0  0  0
  7 15  1  0  0  0
  7 16  2  0  0  0
  8  7  1  0  0  0
  8 21  1  0  0  0
  9  8  1  0  0  0
  9 22  1  0  0  0
  9 23  1  0  0  0
 10  9  1  0  0  0
 10 11  1  0  0  0
 10 24  1  0  0  0
 10 25  1  0  0  0
 11  8  1  0  0  0
 11 26  1  0  0  0
 11 27  1  0  0  0
 12 28  1  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
 13  1  1  0  0  0
 14 13  2  0  0  0
 15  6  1  0  0  0
 17 13  1  0  0  0
M  CHG  1  13   1
M  CHG  1  17  -1
M  END
$$$$
