PUBCHEM-ZINC04664368 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 -0.0980 1.5000 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -0.0050 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -0.7020 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -2.0820 1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -2.7670 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -2.0710 -1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -0.6900 -1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 0.0550 -2.4640 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9400 -0.3950 -3.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 1.1190 -2.6130 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1520 -4.5280 -0.0310 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 -4.9000 -1.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -4.9110 1.1670 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 -5.0850 0.0930 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3640 -4.8210 -0.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5810 -5.7330 -0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7700 -5.4060 -2.1420 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.1190 -6.5630 -1.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2050 -6.4110 -2.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1730 -7.1740 -3.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1690 -7.0350 -4.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1970 -6.1330 -4.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2290 -5.3700 -3.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2360 -5.5130 -2.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4480 -5.9580 -5.8980 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 1.9070 -0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 1.8420 -0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4590 1.8410 0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -0.1660 2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -2.6260 2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -2.6060 -2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6780 -5.5860 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 -3.7790 -0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8940 -5.0160 -1.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2630 -6.7740 -0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0500 -5.5370 0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7380 -7.5840 -1.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5250 -6.3460 -0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3700 -7.8780 -4.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1430 -7.6310 -5.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0320 -4.6650 -3.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2620 -4.9210 -1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M END