PUBCHEM-ZINC05452697 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 36 0 0 0 0 0 0 0 0999 V2000 -0.9670 1.6610 -0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 0.1530 -0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -0.1590 0.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 -0.5740 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8130 -2.0210 -0.2220 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9450 -2.7520 0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7410 -4.1180 0.7810 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 -4.6680 -0.3400 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 -5.9830 -0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 -6.5720 -1.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 -7.9790 -1.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 -8.7730 -0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 -10.1810 -0.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6980 -10.5500 0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1790 -9.3960 1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 -8.3470 0.4430 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8900 -9.3320 2.5180 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.1110 -10.4350 3.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3030 -8.1730 2.9870 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.3840 -2.0000 2.3800 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 2.1790 -0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6890 1.8830 -1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 1.9960 0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 -0.1820 -1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 0.1760 1.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 -1.2340 0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 0.3580 0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3760 -0.3060 0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7780 -0.2820 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 -4.6620 1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 -6.5890 0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 -5.9580 -2.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 -8.4340 -2.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 -10.8360 -1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7750 -11.5530 1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4080 -3.1370 3.2120 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 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 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 34 1 0 0 0 0 14 15 2 0 0 0 0 14 35 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 20 36 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END