CHEMSTAR-ZINC04178019 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 0.0980 1.5340 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 0.0050 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -0.5100 1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5410 -2.0150 1.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3960 -2.6890 2.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 -2.6980 0.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 -2.0460 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9960 -2.6990 -0.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2600 -0.5410 -0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 -4.2050 0.7630 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5380 -4.5460 1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 -4.6940 1.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 -5.4300 2.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9460 -5.7620 2.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9170 -5.2950 2.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2110 -4.3750 0.7960 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.7680 -5.5730 2.3880 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 -4.7580 -0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 -4.2920 -1.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 -4.9150 -0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 -6.4370 -0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 -6.9450 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -6.2730 -0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1320 -6.9240 -0.9720 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0700 -6.8100 -2.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 -7.0800 -0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 -3.4460 -2.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 -0.4740 -0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 1.9200 0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 1.8980 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 1.8730 0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 -0.1650 1.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 -0.1310 2.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 -3.6500 2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9750 -0.1540 0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5550 -0.2320 -1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -5.7440 3.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1460 -6.3550 3.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2010 -4.5510 -1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5510 -4.6480 0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 -8.0240 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -6.7060 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9150 -6.4510 -3.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9970 -7.8940 -2.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 -6.3520 -2.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7120 -6.8130 0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4920 -8.1630 -0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4090 -6.7200 -1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 -4.4210 -1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1220 -0.0890 -0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -1.5640 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 -0.1110 -1.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 27 2 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 M END