IBS-ZINC05248924 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 43 0 0 1 0 0 0 0 0999 V2000 0.2110 0.4470 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -0.7510 0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 -0.7290 -0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -1.9370 -1.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4470 -1.9150 -2.9720 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6930 -2.5390 -2.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0950 -3.0900 -1.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5180 -2.4870 -4.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7380 -3.0360 -4.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6710 -3.0930 -5.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9930 -3.7060 -5.0330 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4100 -3.6770 -4.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9440 -5.1380 -5.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2660 -6.0980 -4.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2890 -7.7940 -5.2710 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -8.6650 -3.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9350 -2.9180 -5.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3770 -2.4030 -7.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0220 -1.8480 -5.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6320 -1.8030 -6.3930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 -1.2830 -5.2050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 -1.2650 -4.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 -0.6860 -4.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 0.4600 1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 1.3850 0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4420 0.4110 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 -1.6720 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -0.7520 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 0.1980 -1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9040 -0.7200 -0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 -2.8640 -1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4630 -1.9440 -2.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1010 -3.5070 -3.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4470 -2.6350 -5.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4140 -5.1520 -6.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9670 -5.4860 -5.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7920 -6.0880 -3.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2230 -5.8190 -4.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5520 -9.7320 -4.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2860 -8.5370 -2.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6260 -8.2930 -3.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4210 -0.8220 -6.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1480 -2.8850 -5.6300 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 M CHG 1 43 -1 M END