PUBCHEM-ZINC05909584 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 1 0 0 0 0 0999 V2000 -0.9500 0.9020 0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 -0.4870 0.6710 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 -1.3250 1.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4370 -1.0130 -0.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7450 -0.2200 -1.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 -0.7430 -2.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 -2.0550 -3.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -2.8470 -2.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -2.3280 -0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 -2.6220 -4.5690 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2970 -1.8240 -5.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 -3.6870 -4.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 -4.1330 -6.1590 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1930 -4.4620 -6.6940 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2810 -4.1740 -6.7840 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4810 -3.3700 -4.8020 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 -1.9730 -4.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9300 -2.1520 -4.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7670 -1.0550 -4.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2350 0.2230 -4.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8640 0.4050 -4.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 -0.6890 -4.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2910 1.6000 -4.9860 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 1.5510 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6240 1.1940 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 0.9940 1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 -1.8380 2.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 -2.0610 1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 -0.7000 2.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 0.8040 -1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 -0.1270 -3.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 -3.8700 -2.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -2.9460 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 -4.5360 -4.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 -3.2660 -4.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3460 -3.1490 -4.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8380 -1.1940 -4.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4520 1.4030 -4.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 -0.5460 -4.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 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 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END