CHEMDIV-ZINC03912711
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 30 31  0  0  0  0  0  0  0  0999 V2000
    0.0420    1.4350    0.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0370   -0.0650   -0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0830   -0.6640   -0.1640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2340   -0.8000   -0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2410   -2.1940   -0.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4340   -2.8790   -0.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6320   -2.1890    0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6310   -0.8040    0.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4420   -0.1110    0.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8060   -2.8680    0.0310 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0850   -3.6350    1.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2120   -4.4470    1.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4540   -5.2160    2.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6020   -5.1450    3.2880 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5440   -4.3620    3.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2790   -3.6240    2.1730 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5650   -6.0410    2.3340 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1320   -4.4930   -0.0270 N   0  3  0  0  0  0  0  0  0  0  0  0
   -6.9480   -5.3020   -0.9190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0730   -3.7220   -0.0880 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0680    1.8010    0.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5320    1.8810   -0.6980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4080    1.7090    1.0690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3110   -2.7310   -0.2680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4400   -3.9540   -0.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5640   -0.2730    0.2680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4420    0.9630    0.2520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8720   -4.3270    4.0770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1810   -6.0870    1.5860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7260   -6.5740    3.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  CHG  1  18   1
M  CHG  1  20  -1
M  END