PUBCHEM-ZINC00998111 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 1 0 0 0 0 0999 V2000 -0.7700 1.5600 -2.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 0.1890 -1.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -0.4330 -2.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 -0.3470 -0.6240 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3070 0.2980 0.0260 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8540 0.8510 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2160 -0.8080 0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 -2.1340 1.0720 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 -1.6820 -0.1280 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9320 -2.3340 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 -1.8310 0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 -0.9470 1.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2970 -1.0280 2.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 -2.0020 1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -2.9020 0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5090 -2.8150 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 -3.8210 -0.9310 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9640 -3.9860 -1.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -4.4780 -0.7470 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.0230 1.3630 1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8380 1.7980 1.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 1.8990 -2.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 1.5180 -2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 2.2860 -1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8780 -0.5210 1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8370 -1.2020 -0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -0.1650 1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5920 -0.3190 2.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1860 -2.0590 2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 -3.6650 0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0290 1.7130 1.8030 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 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 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 2 0 0 0 0 20 31 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M CHG 1 31 -1 M END