PUBCHEM-ZINC04544098 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 39 0 0 1 0 0 0 0 0999 V2000 0.4470 1.5840 0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7190 0.8480 0.9810 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1140 0.3030 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8210 1.8440 1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2230 1.4960 2.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 -0.1640 2.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 -0.9600 4.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 -1.0160 6.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 0.2160 7.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 1.2870 6.9360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 -0.8540 4.9570 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7450 -0.6430 5.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7910 0.1740 3.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6400 -2.3250 4.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8770 -3.2180 5.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9870 -1.6010 1.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 -2.3630 0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -1.7410 0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 2.2720 1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 2.1930 -0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 0.8970 0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 -0.5590 2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 0.8870 3.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 -2.0340 4.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 -0.7790 4.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 -1.5070 6.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1180 -1.7260 7.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8820 0.2320 4.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4010 1.1780 4.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5740 -0.0930 2.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0050 -2.2150 2.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0300 -1.4700 1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1660 2.7730 0.6820 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5170 -0.2020 2.1340 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2730 0.2020 2.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 -0.5380 5.2460 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6720 0.5010 5.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 0.0130 8.8470 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.6950 -2.4590 3.9230 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6860 -3.5260 0.3580 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 34 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 6 34 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 38 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 36 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 39 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 34 35 1 0 0 0 0 36 37 1 0 0 0 0 M CHG 1 33 -1 M CHG 1 34 1 M CHG 1 36 1 M CHG 1 38 -1 M CHG 1 39 -1 M CHG 1 40 -1 M END