ENAMINE-ZINC04218999
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 30 30  0  0  1  0  0  0  0  0999 V2000
    0.7230    1.8420   -0.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1830    0.1170   -0.1710 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0420   -0.3870   -1.6990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8590   -1.8850   -1.9380 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6390   -2.3890   -3.1640 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6890   -2.0790   -3.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5630   -3.9420   -3.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6950   -4.4580   -3.8600 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0670   -1.8820   -4.4190 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310   -0.7110   -5.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    0.0320   -4.6090 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6850   -0.4220   -6.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    0.6260   -7.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1940    0.4350   -8.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -0.7150   -7.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3350   -1.2550   -6.6380 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9470   -1.4050   -8.3640 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.4240   -0.8990   -9.3900 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3410   -2.4430   -7.8200 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.8120    1.8980   -0.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3910    2.3740   -1.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2850    2.3280    0.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6180    0.1940   -2.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1060   -0.1480   -1.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1930   -2.4310   -1.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2090   -2.1110   -2.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3640   -2.4920   -4.8370 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5200    1.4310   -7.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4040    1.0580   -8.9950 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3740   -4.4910   -2.2940 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  7  8  2  0  0  0  0
  7 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  2  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  CHG  1  17   1
M  CHG  1  19  -1
M  CHG  1  30  -1
M  END