PUBCHEM-ZINC06545600 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 36 0 0 1 0 0 0 0 0999 V2000 1.4610 1.7760 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 2.0800 -1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 2.1420 -0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 2.4240 -1.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 2.6320 -3.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 2.5530 -3.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 2.2890 -2.2450 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0910 2.9400 -4.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 4.7350 -4.3910 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 5.3840 -5.0090 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 5.1800 -6.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3850 6.3080 -7.4150 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9840 7.2700 -7.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 6.2180 -8.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2550 5.7180 -9.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2130 2.5010 -1.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 1.9300 0.4760 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6080 0.6980 0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 2.2610 -0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 2.1490 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 2.7140 -4.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6390 2.5600 -5.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 2.4640 -4.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 5.2140 -7.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 4.2200 -7.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1370 5.2600 -7.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7370 2.2000 -2.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4890 1.8340 -0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5770 3.9570 -1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9330 2.2440 -2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 6.6950 -9.5850 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7770 6.1830 -6.9610 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8590 6.4080 -5.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5840 3.8790 -1.2510 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0630 4.2040 -0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 6.6150 -10.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 16 34 1 0 0 0 0 26 32 1 0 0 0 0 29 34 1 0 0 0 0 31 36 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 M CHG 1 7 1 M CHG 1 17 -1 M END