IBS-ZINC00970855 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 1 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 -1.5100 -5.0430 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 -5.4010 -1.1960 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8520 -6.2430 -1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6730 -5.7990 -0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4960 -5.6170 0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2980 -5.2120 1.1270 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5330 -5.8700 1.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2520 -5.6660 3.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2250 -5.9030 4.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4830 -6.3450 3.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7660 -6.5500 2.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8020 -6.3090 1.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4380 -6.5790 4.7480 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7100 -7.0320 4.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4430 -4.2170 -2.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3910 -4.3980 -3.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5180 -3.3130 -4.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6990 -2.0450 -3.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7510 -1.8640 -2.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6280 -2.9510 -1.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8730 -0.5600 -4.9670 Br 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 -4.4560 -5.1400 -0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9020 -6.8380 -0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2740 -5.3230 3.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0090 -5.7460 5.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7460 -6.8940 2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0240 -6.4640 0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3780 -7.1790 5.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1350 -6.2880 3.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5860 -7.9750 3.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 -5.3880 -3.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4770 -3.4540 -5.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8920 -0.8750 -2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6740 -2.8110 -0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 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 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 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 37 1 0 0 0 0 7 38 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 16 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 44 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 24 47 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 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 M END