ACROSORGANICS-ZINC01532749 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 26 0 0 1 0 0 0 0 0999 V2000 0.0080 1.4870 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -0.0420 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 -0.5920 0.0480 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0950 -0.1490 0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5340 -2.1410 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2380 -2.5810 -0.8060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 2.0070 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 3.4760 0.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5910 4.2330 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7970 3.6930 0.4580 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9080 2.6920 0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6230 4.2660 0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 1.8370 -0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 1.9270 0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 -0.4760 -0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 -0.3680 0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 1.7270 1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 1.5920 -0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 3.9700 -0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -2.6930 1.1160 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.1670 -0.2690 -1.2620 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4790 -1.2680 -1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5630 0.0290 -2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0260 0.2820 -1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 5.5760 0.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 6.0390 -0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3170 6.1690 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 3 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 21 1 0 0 0 0 5 6 2 0 0 0 0 5 20 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 9 10 2 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 10 1 M CHG 1 20 -1 M CHG 1 21 1 M END