ACROSORGANICS-ZINC02149454 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 0 0 0 0 0 0999 V2000 -0.1880 1.4150 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -0.0970 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 -0.7110 1.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 -0.7590 -0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 -0.4150 -1.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1730 0.0160 -1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7210 0.6870 -0.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -0.4670 -2.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8120 -2.0000 -2.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0670 0.1400 -3.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 0.0180 -2.4170 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8660 -0.3670 -3.5780 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1050 0.0460 -3.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9330 -0.2880 -4.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4970 -1.0050 -5.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7670 -1.1860 -6.9550 S 0 0 0 0 0 0 0 0 0 0 0 0 8.8080 -0.3030 -5.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2630 0.1060 -4.7950 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0840 -0.0630 -6.2480 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6620 0.8380 -2.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1870 0.1560 -1.4750 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7270 1.9340 0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4930 1.8460 -0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 1.6480 0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 -0.6160 2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 -1.7730 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 -0.2290 1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7260 -0.3730 -1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -1.8410 -0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0610 -0.5910 0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7950 -2.4040 -2.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2850 -2.3920 -3.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 -2.4040 -1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1120 1.2350 -3.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 -0.1660 -4.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 -0.1550 -3.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5160 -1.4200 -6.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4890 -0.3860 -7.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6750 0.4610 -5.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5590 2.1010 -2.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 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 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 4 30 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 10 1 0 0 0 0 8 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 2 0 0 0 0 M CHG 1 21 -1 M END