PUBCHEM-ZINC05558021 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 0.1340 1.5430 1.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 0.2000 1.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 -0.7310 1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8870 -0.5420 2.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -2.0370 0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5650 -3.1010 1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 -4.4320 0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 -5.2140 0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 -6.4760 0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -6.9650 -0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2960 -6.2010 -0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4540 -4.9330 -0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5370 -4.1150 -0.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5890 -4.6130 -1.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4230 -1.9310 -0.3470 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -0.2430 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7110 0.3160 -0.6400 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1230 1.6340 -0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6420 2.6440 -1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 3.9570 -1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0440 4.2720 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5710 3.2650 0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 1.9470 0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6100 3.5200 1.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6540 4.1510 1.3570 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.4830 5.9360 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 1.6690 2.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 2.2640 0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 1.7390 2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3530 -3.0180 1.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4660 -4.8420 1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 -7.0770 0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 -7.9470 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0390 -6.6260 -1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3720 -3.8490 -1.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0300 -5.5180 -0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2450 -4.7850 -2.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 2.4070 -2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 4.7340 -1.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5050 1.1550 1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3650 3.0390 2.8570 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 16 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 2 0 0 0 0 M CHG 1 25 -1 M END