NCID-ZINC04776059
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 21 20  0  0  1  0  0  0  0  0999 V2000
   -0.0190    1.5260    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020   -0.0040    0.0020 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5880   -0.3550   -0.8470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4080   -0.5250   -0.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9900   -0.9110    0.8750 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6790    2.1520   -0.0020 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    3.8860    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3980    4.7600    0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7250    4.2840   -0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9420    3.0860   -0.0190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5460    1.8870   -0.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5290    1.8770    0.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0800   -0.1800    2.0520 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    4.2510    0.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2060    5.8230    0.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0160   -0.5600   -1.3070 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6060   -0.4920    1.2490 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6900   -1.4980    1.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7560    5.1560   -0.0160 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6270    4.7360   -0.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9200   -0.9020   -1.3300 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  4  5  2  0  0  0  0
  4 16  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  2  0  0  0  0
  9 19  1  0  0  0  0
 13 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
M  END