CHEMDIV-ZINC04529339 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0120 -0.4040 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 -0.5500 1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -0.4380 0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -0.3650 1.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 -0.4350 -0.7890 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6970 0.4920 -1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 -0.5380 -1.2270 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5130 -1.5750 -1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 0.3370 -2.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 0.2070 -2.8520 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7670 0.2470 -2.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 0.0580 -4.0250 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0500 -1.6330 -1.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5070 -1.4720 -0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8770 -0.4990 -0.3580 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 0.0580 2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 -1.5910 1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 1.3780 -2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 0.0170 -3.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6670 -2.5490 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9410 -1.6880 -2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3940 -2.4110 -1.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3170 -2.2630 -1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M END