IBS-ZINC02233669 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 56 0 0 0 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 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -4.5300 -0.0230 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -4.9170 -1.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -4.9300 1.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 -5.0760 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4130 -5.3270 -1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7200 -5.7570 -0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6810 -6.0630 -1.4760 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4640 -5.9810 -2.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4880 -6.3080 -3.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2600 -6.2220 -5.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0200 -5.8150 -5.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0060 -5.4920 -4.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2040 -5.5670 -3.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2120 -5.2500 -2.4540 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6200 -5.7360 0.7420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 -5.3330 1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9010 -5.2050 2.3950 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6430 -6.0780 1.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1220 -7.3800 1.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1300 -7.7160 2.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6640 -6.7520 3.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1870 -5.4500 3.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1740 -5.1140 2.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8560 -4.2440 4.4180 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -7.6570 -7.0840 4.2760 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1000 -8.4420 4.2670 C 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 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4540 -6.6250 -3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0500 -6.4740 -5.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8630 -5.7560 -6.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -5.1780 -5.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 -4.9120 2.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4930 -5.4080 3.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7070 -8.1300 1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5020 -8.7290 2.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7990 -4.1020 2.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2650 -9.0990 4.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8920 -8.5710 5.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4810 -8.6930 3.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 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 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 23 2 0 0 0 0 12 13 1 0 0 0 0 12 21 2 0 0 0 0 13 14 2 0 0 0 0 13 22 1 0 0 0 0 14 15 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 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 32 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 49 1 0 0 0 0 32 33 1 0 0 0 0 33 50 1 0 0 0 0 33 51 1 0 0 0 0 33 52 1 0 0 0 0 M END