IBS-ZINC02353255 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 42 0 0 1 0 0 0 0 0999 V2000 -0.0230 1.5270 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -0.0020 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4360 -0.5330 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -2.0630 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8490 -2.5940 0.0270 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4060 -2.1580 -0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8310 -4.1170 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2660 -4.6360 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2480 -6.1360 -0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1910 -6.7320 -0.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4060 -6.8160 -0.4810 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3870 -8.1970 -0.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3950 -8.9830 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3790 -10.3450 -0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3500 -10.9270 -1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3380 -10.1470 -1.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3630 -8.7850 -1.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3750 -10.7730 -2.5800 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.3560 -11.9750 -2.7780 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2460 -10.0870 -3.0840 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.5100 -2.2190 1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8960 -1.5920 2.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9990 1.9050 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 1.8930 -0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8730 0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -0.3480 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 -0.3680 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9420 -0.1870 0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 -0.1680 -0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 -2.4090 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 -2.4290 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 -4.3910 -1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3510 -4.5580 0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8210 -4.3620 0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7450 -4.1950 -1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2520 -6.3490 -0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6370 -8.5300 0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 -10.9570 0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3350 -11.9920 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1380 -8.1770 -1.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7800 -2.5820 1.5650 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1610 -2.3190 2.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END