PUBCHEM-ZINC06469160 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 1 0 0 0 0 0999 V2000 -1.3310 2.0370 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 0.7110 -0.1410 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1270 0.6890 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5410 0.5640 0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 0.2980 2.2290 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 -0.8300 2.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0350 -0.6470 1.2100 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6750 0.2020 1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4810 -0.4110 -0.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9080 -1.8920 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 1.0930 3.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 2.0960 3.1340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 0.7040 4.5290 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 1.4520 5.7790 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1820 1.9250 5.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 2.4970 6.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8710 3.6450 5.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0950 4.9230 5.4660 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7890 6.0720 4.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 0.4890 7.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 -0.6210 6.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 2.8800 -0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1640 2.0720 -0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7550 2.1820 0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -0.3060 0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 1.4420 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -1.7280 2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 -0.9580 3.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3830 -2.1180 2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6920 -1.7520 0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3210 -2.7610 0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4770 -0.1820 4.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8910 2.0090 5.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 2.9080 7.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 4.1040 4.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 3.2870 4.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 6.4240 4.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 5.5880 3.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4520 6.9350 4.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 0.9170 8.0740 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 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 M CHG 1 40 -1 M END