IBS-ZINC05561658 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4980 -0.3750 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -0.5440 1.2690 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0260 0.2770 1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -1.3450 1.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 -1.9470 2.9990 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -1.2840 1.2230 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 -0.5560 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2890 -0.3690 -0.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 -1.9230 1.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7850 -1.8910 0.9240 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8440 -2.5630 1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1420 -2.6810 0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1040 -3.4180 1.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8110 -4.0580 2.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5510 -3.9550 3.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5660 -3.2120 2.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8850 -2.8970 3.0450 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.3500 -3.5230 0.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3030 -4.3030 1.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8770 -1.4420 0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6090 -1.8560 2.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2420 -3.0100 2.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9130 -3.3900 3.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9530 -2.6160 4.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3210 -1.4610 3.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 -1.0850 2.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7970 -3.0920 5.8800 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3820 -2.1890 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5720 -4.6350 3.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3250 -4.4520 4.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2540 -4.3040 1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9390 -5.3260 1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4450 -3.8740 2.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5100 -2.3290 0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -0.8960 0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -3.6150 2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 -4.2920 4.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1330 -0.8560 4.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9420 -0.1860 2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 22 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 2 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 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 33 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 M END