PUBCHEM-ZINC04898828 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3830 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 -0.6850 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 0.0190 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 1.4250 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 2.0990 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6970 1.8290 -0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0190 2.7440 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4660 0.6970 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6950 -0.3640 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9440 0.6730 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6350 -0.5470 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0040 -0.5220 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6660 0.7050 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9870 1.8440 -0.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6700 1.8640 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4270 0.7420 -0.0900 S 0 0 0 0 0 0 0 0 0 0 0 0 10.7030 2.5310 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2070 2.8150 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4280 4.2500 -0.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7070 4.6710 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6130 3.8620 -0.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9820 5.9900 -0.0960 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9070 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5510 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -1.7650 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 3.1780 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -1.4850 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5660 -1.4440 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1480 2.8090 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2430 2.9730 -0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2590 2.9640 0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6670 2.3730 0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6510 2.3820 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2590 6.6370 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9040 6.2940 -0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 9 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 16 2 0 0 0 0 12 13 2 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 M END