PUBCHEM-ZINC06856985 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 41 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 -0.5960 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -0.6940 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -2.1590 0.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2840 -2.5140 0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4300 -2.6900 0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5710 -2.0960 2.3290 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1410 -2.8180 2.8830 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1160 -3.8980 2.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2920 -2.2200 2.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0930 -2.5160 0.6510 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.7640 -3.6360 0.3030 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2570 -1.6430 -0.1820 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.3450 -2.5130 4.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4670 -3.5470 5.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6540 -3.2700 6.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7200 -1.9530 7.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5980 -0.9180 6.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4050 -1.2000 4.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9050 -1.6780 8.3460 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9630 -0.3000 8.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0190 -2.6520 -1.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 -1.8600 -2.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -0.2200 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2830 -2.3350 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4160 -3.7800 0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2350 -2.6540 2.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3170 -1.1400 2.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4160 -4.5710 4.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7500 -4.0780 7.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6490 0.1080 6.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3040 -0.3940 4.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1130 -0.2220 9.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0280 0.1900 8.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7910 0.1820 8.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 -3.9700 -1.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 -4.2380 -2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 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 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 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 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M END