PUBCHEM-ZINC00538469 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 52 0 0 1 0 0 0 0 0999 V2000 -0.0620 1.4640 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8460 -0.4850 1.1280 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9110 -0.3930 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 0.3120 2.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 -0.0200 2.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9070 0.2180 1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 -0.5840 0.3000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9960 -0.5620 -0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 -2.0220 0.7780 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8210 -2.5760 1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 -1.9560 1.3250 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7200 -2.4600 2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.7250 0.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 -1.4120 3.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 -1.7270 4.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 -0.8680 4.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2340 -3.1520 4.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8920 -3.1680 5.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 -3.1320 6.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 -3.1560 8.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3710 -3.2130 7.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6260 -3.2310 6.1110 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0910 -3.9070 3.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6380 -4.5750 2.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6140 -5.1930 1.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8610 -5.0280 2.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8430 -4.0490 3.5690 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -3.7720 4.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -0.5070 -1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 1.8690 -0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 1.7930 -0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 1.8170 0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 0.0380 3.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 1.3790 2.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 0.6160 3.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9200 -0.1210 1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9190 1.2820 1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 -3.0870 7.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6720 -3.1320 9.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1530 -3.2400 8.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5880 -4.6280 2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3840 -5.7660 0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7470 -5.4370 1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 -3.3380 5.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 -0.2140 -1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4380 -1.5940 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 -0.0860 -2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 18 29 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 27 2 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 M CHG 1 2 1 M END