CHEMBRIDGE-ZINC01234190
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.0160    1.3640    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
    1.3300   -0.4090   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1360    0.6560   -0.0150 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3900    1.7860   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8610    3.0840    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2540    3.3310   -0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9410    4.6470   -0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3400    5.7020    0.0010 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2630    4.5760   -0.0240 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8340    3.3660   -0.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5140    3.0350   -0.0520 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5280    2.1710   -0.0220 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7870   -1.8190   -0.0240 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.9050   -2.7970   -0.0210 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -2.0940   -0.0380 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8870    2.0030    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8620   -0.6530    0.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1660    3.9110    0.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8040    5.3810   -0.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  1 17  1  0  0  0  0
  2  3  2  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  CHG  1  14   1
M  CHG  1  16  -1
M  END