KEYORGANICS-ZINC01392913
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.1030    1.5000    0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0390   -0.0050    0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0840   -0.6850    1.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1440   -2.0760    1.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0770   -2.7670   -0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0490   -2.0480   -1.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1110   -0.6850   -1.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    0.0760   -2.4650 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.9400   -0.3630   -3.3680 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3240    1.1420   -2.6000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.1640   -4.1870    0.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2710   -4.2940    1.5720 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2630   -3.0250    2.1610 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3310   -2.8460    3.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8920    1.9080   -0.1620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7820    1.8420   -0.7630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4640    1.8410    0.9880 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1360   -0.1450    2.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1010   -2.5690   -2.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1430   -5.0040   -0.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  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 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  CHG  1   8   1
M  CHG  1  10  -1
M  END