PUBCHEM-ZINC05489463 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 1 0 0 0 0 0999 V2000 0.0350 0.8770 -0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 -0.4740 -0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5670 -0.9270 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6530 -0.0350 -0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 1.3230 -0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1010 1.7750 -0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0520 -0.5500 0.0820 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1100 -1.5600 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -0.6380 1.5950 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5560 -1.1240 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6230 0.8060 2.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3940 1.4780 1.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6400 -1.3970 1.7690 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1190 -1.9360 3.2590 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1730 -3.2890 2.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5290 -3.2140 3.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4260 -4.2170 2.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9820 -5.3140 1.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6380 -5.4170 1.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -4.4080 2.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3580 -4.5770 1.6650 N 0 3 0 0 0 0 0 0 0 0 0 0 5.0890 -4.5790 0.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5510 -4.7760 2.5840 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0350 0.2090 -0.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 1.2310 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 -1.1750 -0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 -1.9840 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2200 2.0400 -0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 2.8300 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3930 -0.8150 1.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9070 -2.3640 3.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4750 -4.1370 2.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6850 -6.0870 1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2940 -6.2750 1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3530 0.9060 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0540 1.1340 3.1790 O 0 5 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 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 11 12 2 0 0 0 0 11 36 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 20 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 24 35 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M CHG 1 36 -1 M END