CHEMBRIDGE-ZINC04811267
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 30 31  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   -0.7310    1.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0410   -2.4330    0.6660 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0200   -2.0020   -0.9880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0040   -0.7120   -1.1120 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0230   -2.9030   -2.0470 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0430   -4.2280   -1.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0590   -4.6340   -0.6600 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0460   -5.2060   -2.9500 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -6.8990   -2.3010 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -7.8840   -3.7620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0950   -9.2720   -3.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0950  -10.0320   -4.8150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -9.3770   -6.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0560   -7.9970   -6.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0510   -7.2960   -4.9500 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0740  -10.1500   -7.3010 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0920  -11.3680   -7.2690 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0570   -9.5700   -8.3720 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
    0.0270   -0.3440    2.1290 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0100   -2.5780   -2.9600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8520   -5.0620   -3.5520 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9280   -5.0380   -3.5680 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1110   -9.7490   -2.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1100  -11.1100   -4.7660 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0400   -7.4840   -7.0180 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  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  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 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 16 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