SPECS-ZINC04114513
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 19 19  0  0  0  0  0  0  0  0999 V2000
   -0.0180    1.5030    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020   -0.0040    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0230   -0.7010    1.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0420   -2.0840    1.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0400   -2.7780    0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0180   -2.0820   -1.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0060   -0.6860   -1.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0170   -2.8190   -2.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0340   -4.0330   -2.4850 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0700   -4.8880    0.0120 I   0  3  0  0  0  0  0  0  0  0  0  0
   -1.7680   -5.5680    0.0320 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0040    1.8800    0.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5460    1.8640   -0.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5290    1.8540    0.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250   -0.1620    2.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0580   -2.6220    2.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0260   -0.1410   -2.1290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0040   -2.1440   -3.6490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0040   -2.6690   -4.4610 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 18  1  0  0  0  0
 10 11  1  0  0  0  0
 18 19  1  0  0  0  0
M  CHG  1  10   1
M  CHG  1  11  -1
M  END