PUBCHEM-ZINC05112965 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 39 0 0 1 0 0 0 0 0999 V2000 0.0470 1.5700 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 0.0540 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -0.3480 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4890 0.4240 0.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7960 -1.6730 -0.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 -2.2690 -0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1070 -2.3230 -0.1790 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7710 -1.8240 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7340 -2.3880 -1.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3620 -0.7770 -2.1580 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7650 -1.1510 -3.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2440 -0.4170 -4.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5490 -0.6260 -6.4730 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.8920 -2.4330 -4.1100 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.8690 -3.7680 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 -4.3210 0.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9880 -4.3910 0.7730 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0260 -5.7900 1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4520 -6.2350 1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3140 -5.3040 1.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 1.9890 0.0890 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0190 1.5240 -0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7160 3.5250 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5580 3.8500 0.9170 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 2.0390 -0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 1.9520 1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 -0.3180 -0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 -0.4470 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 -2.7580 -2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5730 -3.0920 -1.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5580 0.4050 -4.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8940 -3.9280 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -6.4080 0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3570 -5.8970 2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5780 -7.4520 1.8940 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0940 4.1730 -0.8610 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2580 1.5450 1.3300 N 0 3 0 0 0 0 0 0 0 0 0 0 2.9740 0.8310 1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6770 1.3620 2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7520 2.4730 1.5430 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 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 37 1 0 0 0 0 23 24 2 0 0 0 0 23 36 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 40 1 0 0 0 0 M CHG 1 35 -1 M CHG 1 36 -1 M CHG 1 37 1 M END