IBS-ZINC04859743 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 0 0 0 0 0 0 0 0999 V2000 -0.3360 -0.9360 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 -0.1900 -1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -0.4540 -2.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 0.2170 -2.3940 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 -0.2950 -3.5270 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9790 0.1960 -4.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6050 1.1860 -3.4420 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5100 -0.4980 -5.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7640 -0.1920 -5.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5070 -0.9830 -6.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3330 -0.6330 -7.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8730 -1.8350 -8.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3790 -2.8620 -7.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5610 -2.3430 -6.3720 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5210 -4.3110 -7.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1510 -5.0230 -8.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2620 -6.4140 -8.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7530 -7.1070 -7.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1230 -6.4200 -6.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0160 -5.0260 -6.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5680 -7.1420 -4.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0450 -6.4340 -3.9540 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6210 -1.4970 -5.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8290 -1.8340 -7.0760 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -1.9440 -5.2340 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 -1.3390 -4.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -1.7630 -3.2740 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 -2.0180 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 -0.6420 0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 -0.7200 1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8420 -0.4850 -1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 0.8870 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0160 1.4580 -2.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 0.5900 -5.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5210 0.3730 -7.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5510 -1.9270 -8.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5540 -4.5110 -9.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7460 -6.9640 -9.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8470 -8.1910 -7.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5230 -4.4940 -5.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6660 -8.4080 -4.8650 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 2 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 2 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 22 -1 M END