IBS-ZINC05155944 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 -0.0410 0.7050 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 1.1300 2.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 1.9710 3.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0240 1.8230 3.7060 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6470 2.2930 2.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 1.4590 1.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6810 1.2460 4.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1080 0.8690 5.8760 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9660 0.2960 6.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6350 -0.1200 7.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3550 0.2230 6.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3210 -0.3460 6.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6790 -0.5070 6.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6870 -1.1720 7.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8690 -1.1040 6.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5480 -0.3810 5.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2350 -0.0280 5.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2880 0.0210 4.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1270 -0.9180 3.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8430 -0.5930 2.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7390 0.6790 1.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9200 1.6350 2.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2110 1.2960 3.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4260 2.3460 4.2400 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.4910 2.8120 3.5710 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7750 2.7320 5.3630 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.4060 0.9220 4.7100 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -0.3440 0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 0.8410 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 1.0760 -0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 1.3020 2.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 0.0620 2.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 1.6580 4.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3030 3.0280 3.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 2.2440 2.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3920 3.3500 2.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3940 0.4040 1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4880 1.8510 0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0660 -0.7440 7.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5750 -1.6630 8.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8350 -1.5230 6.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2190 -1.9250 3.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4850 -1.3380 1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3030 0.9250 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8480 2.6290 2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 1.5230 1.2370 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3250 2.5000 1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 46 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 6 46 1 0 0 0 0 7 8 2 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M CHG 1 46 1 M END