CHEMDIV-ZINC02944600 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 -1.0130 -0.4000 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 -0.5440 1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 -1.9300 0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 -2.9430 1.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5630 -1.7560 -0.7470 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2560 -2.6420 -1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -0.5300 -1.2330 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4450 0.2360 -1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 -0.9400 -2.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 0.2480 -2.8260 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2930 1.2630 -3.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1260 0.2210 -2.9940 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0630 -1.5150 -0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8230 -2.7570 -0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2270 -3.7340 -0.1580 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 1.6920 0.0840 1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -0.6150 2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 -1.4140 -3.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9490 -1.6420 -1.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2650 -1.2780 -1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3790 -0.6840 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1620 -2.7780 -0.6290 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6060 -3.5970 -0.3680 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