IBS-ZINC05453614 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -0.6180 1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 0.1430 2.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 -0.4730 3.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8990 -1.8710 3.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 -2.6370 2.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -2.0100 1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -2.7520 0.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 -4.1730 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -2.5310 4.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 -3.7420 4.3380 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2060 -1.7040 5.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9530 -2.8000 6.6100 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5960 -1.6040 7.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4860 -0.3040 7.5940 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4940 -2.7760 9.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0920 0.3210 8.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6110 -0.6840 9.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2790 -1.8920 8.8800 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2920 -0.3270 10.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4340 1.0210 10.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8990 1.9620 10.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2560 1.6020 8.9560 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 1.2210 2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 0.1210 3.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 -3.7150 2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 -4.4710 0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -4.4890 1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 -4.6420 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 -1.0620 4.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 -1.0880 5.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6990 -1.0800 11.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9580 1.3360 11.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0110 3.0120 10.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 24 2 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 M END