PUBCHEM-ZINC04558647 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 1 0 0 0 0 0999 V2000 -1.9080 0.7150 -0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 -0.3800 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 -1.0800 1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -2.0850 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 -2.3940 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 -1.6990 -1.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -0.6920 -1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 0.0110 -2.4130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -0.6540 -3.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -2.3660 -3.5930 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 0.0290 -4.7410 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 -0.6930 -6.0110 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5060 -1.7320 -5.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -0.0440 -6.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9020 -0.1090 -6.0240 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -0.9330 -8.4450 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 1.6750 -7.2010 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 -0.6400 -6.7080 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8420 -1.7290 -6.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4900 -2.7540 -6.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0250 -1.6810 -7.3800 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8280 -2.8910 -7.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1070 -2.6490 -8.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1610 -2.8960 -9.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3350 -2.6740 -10.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4540 -2.2050 -9.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4000 -1.9590 -8.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2280 -2.1850 -7.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -2.8330 2.4630 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6820 -2.5620 3.3490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 -3.7190 2.6280 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4890 1.6640 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1640 0.7840 -1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8040 0.4910 0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 -0.8410 1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6980 -3.1800 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6440 -1.9400 -1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 0.9760 -2.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 0.9990 -4.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 0.1780 -7.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2710 -3.6990 -7.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0620 -3.1660 -6.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2870 -3.2620 -10.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3770 -2.8660 -11.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3700 -2.0310 -10.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2740 -1.5920 -7.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1860 -1.9960 -6.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 M CHG 1 29 1 M CHG 1 31 -1 M END