IBS-ZINC00464648 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 25 0 0 0 0 0 0 0 0999 V2000 0.4960 1.6050 -0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4360 0.4300 -0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 0.5450 -0.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 -0.7100 -1.3780 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -2.0400 -1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6810 -2.6130 -0.5260 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 -2.7780 -2.3110 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 -4.1580 -2.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 -4.9930 -1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -6.3470 -1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 -6.8550 -2.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 -6.0320 -3.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 -4.6910 -3.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 -3.7020 -4.9390 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -7.2320 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4490 -6.6890 1.0250 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5260 2.0120 -1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 1.2980 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 2.3790 -0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -0.5720 -1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 -2.2660 -3.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 -4.6120 -0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 -7.9000 -2.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 -6.4420 -4.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 -8.4510 -0.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 25 2 0 0 0 0 M CHG 1 16 -1 M END