PUBCHEM-ZINC04845825 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -1.5880 0.2680 0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 0.4450 0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -0.1650 1.6080 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4810 0.2710 2.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -1.6810 1.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -2.3000 2.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9490 -2.0290 2.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1910 -0.5170 2.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1720 0.1070 1.3300 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6120 1.0940 0.0760 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0040 0.8920 -0.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6430 0.9010 -0.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4260 2.7570 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4340 3.3570 1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2920 4.6600 1.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 5.3670 1.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 4.7610 0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2740 3.4600 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9870 6.6860 1.9390 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0620 7.4950 2.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1420 7.1110 1.6130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 8.8490 2.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0400 9.6900 2.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9080 10.9520 3.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6780 11.3860 3.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 10.5580 3.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 9.2960 3.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 12.7420 4.2540 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5150 13.4730 4.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4620 13.1270 4.6600 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.7790 0.6890 1.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2020 0.7820 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 -0.7940 0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -0.0570 -0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 1.5070 0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 -1.8940 1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -2.1030 0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3390 -1.8600 3.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 -3.3760 2.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 -2.4910 2.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -2.4480 1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1180 -0.1100 3.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1820 -0.3160 1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 2.8060 1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0800 5.1280 2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 5.3080 0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 2.9900 -0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 7.0190 2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0010 9.3520 2.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7680 11.6030 3.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 10.9030 3.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 8.6520 2.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 M CHG 1 28 1 M CHG 1 30 -1 M END