8H2
  CCTOOLS-1219251125

 36 38  0  0  1  0  0  0  0  0999 V2000
   -4.5750    0.4140    0.5980 P   0  0  0  0  0
   -4.8690    0.0350    2.1350 O   0  0  0  0  0
   -3.0730    0.9880    0.6770 O   0  0  0  0  0
   -2.3620    1.4680   -0.4660 C   0  0  0  0  0
   -0.9700    1.9390   -0.0410 C   0  0  0  0  0
   -0.1790    2.4780   -1.2610 C   0  0  0  0  0
   -0.4690    3.8590   -1.4860 O   0  0  0  0  0
    1.2880    2.2880   -0.8050 C   0  0  0  0  0
    1.2050    1.2210    0.3030 C   0  0  0  0  0
   -0.1720    0.8240    0.4110 O   0  0  0  0  0
    2.0310    0.0650   -0.0540 N   0  0  0  0  0
    3.3730   -0.0730    0.1770 C   0  0  0  0  0
    3.7260   -1.3280   -0.3320 C   0  0  0  0  0
    2.6020   -1.8880   -0.8410 N   0  0  0  0  0
    1.6020   -1.0720   -0.6740 C   0  0  0  0  0
    4.3060    0.7000    0.7430 N   0  0  0  0  0
    5.5560    0.3010    0.8320 C   0  0  0  0  0
    6.4780    1.1280    1.4220 N   0  0  0  0  0
    5.9610   -0.9100    0.3560 N   0  0  0  0  0
    5.0740   -1.7450   -0.2290 C   0  0  0  0  0
    5.4270   -2.8300   -0.6580 O   0  0  0  0  0
   -4.2500   -1.6280   -0.3380 SE  0  0  0  0  0
   -5.7490   -0.3360    2.2870 H   0  0  0  0  0
   -2.2660    0.6660   -1.1980 H   0  0  0  0  0
   -2.9070    2.3010   -0.9100 H   0  0  0  0  0
   -1.0440    2.6980    0.7370 H   0  0  0  0  0
   -0.3890    1.8870   -2.1520 H   0  0  0  0  0
    0.0670    4.2640   -2.1810 H   0  0  0  0  0
    1.9010    1.9310   -1.6330 H   0  0  0  0  0
    1.6880    3.2210   -0.4080 H   0  0  0  0  0
    1.5470    1.6420    1.2490 H   0  0  0  0  0
    0.5850   -1.2660   -0.9820 H   0  0  0  0  0
    6.2050    1.9930    1.7660 H   0  0  0  0  0
    7.4040    0.8480    1.4950 H   0  0  0  0  0
    6.8910   -1.1730    0.4380 H   0  0  0  0  0
   -5.7140   -2.1620   -0.4030 H   0  0  0  0  0
  2  1  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3  1  1  0  0  0
  4 24  1  0  0  0
  4 25  1  0  0  0
  5  4  1  0  0  0
  5 10  1  0  0  0
  5 26  1  0  0  0
  6  8  1  0  0  0
  6  5  1  0  0  0
  6 27  1  0  0  0
  7  6  1  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  8 30  1  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 11 15  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 13 20  1  0  0  0
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 19 20  1  0  0  0
 19 35  1  0  0  0
 20 21  2  0  0  0
 22  1  1  0  0  0
 22 36  1  0  0  0
M  END
$$$$
