NCID-ZINC04773094
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 30 29  0  0  1  0  0  0  0  0999 V2000
    0.4990    1.3570    0.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1080   -0.1060    0.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6930   -2.5090    0.0010 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1790   -2.6690    0.6440 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5450   -3.2190   -1.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4330   -2.1630   -2.5420 S   0  5  0  0  0  0  0  0  0  0  0  0
    2.0140   -2.9940    0.6620 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8870   -2.0610    0.6470 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2560    3.7170    1.4160 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7820    3.9200    0.4770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9990    4.6020    1.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4460    3.8480    0.6870 S   0  5  0  0  0  0  0  0  0  0  0  0
    1.1650    3.9260    2.6610 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1450    2.8870    3.4040 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5730    1.5000    0.6050 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2420    1.6750   -0.5750 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4060   -0.4190    1.6920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9680   -0.2580    0.5610 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5360   -3.4440   -1.7760 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -4.1960   -1.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2270    4.7340    2.6460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7630    5.6080    1.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7940   -1.0000   -0.2780 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.4280   -0.9400   -1.2630 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8360   -0.8910   -0.2580 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0520   -4.1700    1.1070 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.2170    2.2550    1.3780 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.2430    2.3680    1.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0620    1.9970    2.3810 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7740    5.0210    2.7680 O   0  5  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 27  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  7  8  2  0  0  0  0
  7 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
  9 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 13 14  2  0  0  0  0
 13 30  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
M  CHG  1   6  -1
M  CHG  1  12  -1
M  CHG  1  23   1
M  CHG  1  26  -1
M  CHG  1  27   1
M  CHG  1  30  -1
M  END