PUBCHEM-ZINC04822744 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 1 0 0 0 0 0999 V2000 -0.1820 0.9060 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 -0.4430 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 -0.5490 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4970 -1.5710 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -1.2440 0.2980 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 0.0450 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3430 1.0960 -0.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0460 0.7420 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 1.6090 -0.2200 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1010 3.0500 -0.4440 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1340 3.3510 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 3.5130 -1.8480 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2550 2.8990 -2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 4.9090 -1.5120 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6800 5.2650 -2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 4.7230 -0.1210 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5290 4.3020 -0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 3.7180 0.5500 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 5.9860 0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 5.7180 1.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 4.8930 2.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 5.8450 -1.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 5.3470 -2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6370 3.6600 -2.6850 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1940 -2.9010 0.4760 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 -1.4420 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 -2.8610 -0.6870 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -1.1350 1.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1290 1.4230 -0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2130 0.2610 0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 6.3250 0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 6.7960 0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 -3.2350 0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9630 -3.5350 0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0190 -0.2670 1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7560 -1.7820 1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 9 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 22 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 25 33 1 0 0 0 0 25 34 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 35 1 0 0 0 0 28 36 1 0 0 0 0 M CHG 1 24 -1 M END