IBS-ZINC05178434 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 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 0 0 0 0 0 0 0 0 0 0 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -0.7310 2.3250 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -1.1720 3.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 -1.5220 4.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 -1.5220 5.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 -1.9180 6.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -2.3170 7.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -2.3220 6.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3840 -1.9250 5.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 -1.8350 4.6100 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 -1.3940 3.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7230 -1.1370 2.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0330 -0.7030 1.1520 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0920 -1.3370 2.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7930 -1.0640 0.8570 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3320 -0.2100 0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2620 -0.7530 1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 0.5440 1.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7040 -2.2900 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4090 -3.3800 0.5440 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 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8980 -1.2110 4.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 -1.9190 7.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -2.6260 8.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -2.6340 7.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5860 -1.6580 2.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -1.5700 1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8030 -0.6370 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.7660 2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9200 1.3610 1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8170 0.4280 2.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6580 -2.5660 -0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1470 -2.0570 -1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3940 -4.1930 0.0200 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 15 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 M END