ACROSORGANICS-ZINC02244126 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 37 0 0 1 0 0 0 0 0999 V2000 -0.4650 1.6770 -1.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 0.7590 -0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4110 1.5470 0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 -0.2210 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 -0.0850 -0.7720 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 0.4530 -1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5640 1.6430 -1.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1100 -0.5540 -1.5950 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4480 -0.3870 -2.1750 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9090 0.4970 -1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4110 -0.2880 -3.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6640 0.9170 -4.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 0.7400 -4.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 1.8120 -5.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 3.0820 -5.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4630 3.2790 -4.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2190 2.2050 -4.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0060 2.5800 -3.7970 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.3340 -1.6360 -1.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6840 -2.6980 -1.6770 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 2.4410 -1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 1.1040 -2.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3880 2.1960 -1.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4570 2.0550 1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 0.8840 1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 2.3120 0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3820 -0.8310 -0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 -0.9210 0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9960 0.3010 0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8020 -1.5160 -1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -0.2880 -4.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9490 -1.1970 -4.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 -0.2420 -4.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 1.6550 -5.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5610 3.9190 -5.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8900 4.2760 -4.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5810 -1.4450 -1.9840 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 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 30 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 M CHG 1 37 -1 M END