IBS-ZINC02137997 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 0.8780 0.4300 1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 0.5280 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9690 0.0300 -1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2470 -0.2770 -0.1170 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9600 -1.3000 0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 0.2330 0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0090 1.1400 0.8110 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0400 -0.4170 2.1910 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7950 -0.1410 3.4220 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7810 0.9430 3.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2300 -0.6370 3.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1320 -0.8560 4.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 -1.5950 4.3170 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0450 -0.3730 -1.3640 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 -1.6250 -1.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 -2.6180 -0.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 -1.7470 -2.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0430 -2.9590 -3.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8120 -3.0460 -4.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9720 -1.9240 -5.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3650 -0.7140 -4.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5980 -0.6330 -3.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9990 0.5690 -3.3010 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1140 1.3890 -3.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2370 0.7490 -2.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7690 1.8680 -1.9690 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 0.9420 1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 0.9060 1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 -0.6130 1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 1.5930 -0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 -1.0330 -1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 0.1620 -2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 0.5850 -1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 -1.1530 2.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7490 -0.1670 2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2620 -1.7210 3.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8020 -0.4150 4.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9230 -3.8340 -2.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2880 -3.9860 -4.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5730 -1.9920 -6.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5020 0.1510 -5.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6310 -0.6160 5.7730 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 42 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 M CHG 1 42 -1 M END