IBS-ZINC02090629 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 0.7430 -0.5130 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -2.0430 1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 -2.4720 1.2540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 -2.0650 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -0.5360 0.0240 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9550 -0.1420 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5850 -0.0650 -0.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2650 0.3690 -2.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 0.6110 -3.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -0.4670 -1.1750 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 1.7810 -0.1850 1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 -0.1180 2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 -2.4380 0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 -2.4100 2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -2.4600 -0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4220 -2.4470 0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8100 0.6470 -0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9440 -1.0540 -0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 -0.1690 -1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1320 -0.1160 -1.1980 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 0.7730 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6020 0.4860 -2.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9930 0.7680 -3.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 25 1 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 12 24 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 M END