IBS-ZINC01258747 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 1 0 0 0 0 0999 V2000 0.5880 1.7820 -0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 1.2440 -1.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 0.7230 -2.9850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8700 1.3560 -1.5860 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5820 0.1030 -1.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 0.3340 -3.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9730 -0.5930 -3.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4840 1.7080 -3.3590 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6690 2.4200 -2.3680 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4080 2.8440 -1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8070 3.5630 -2.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 4.7110 -2.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 5.7780 -2.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 5.7080 -3.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 4.5740 -4.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 3.5040 -4.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 7.0310 -4.3510 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.2930 2.3490 -4.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7600 1.6460 -5.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5590 2.2670 -6.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9020 3.6040 -6.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4550 4.3300 -5.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6590 3.6990 -4.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9340 4.4260 -7.4860 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.3340 5.7550 -7.5500 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7420 3.6090 -8.6810 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4050 4.3880 -6.8850 N 0 5 0 0 0 0 0 0 0 0 0 0 -8.3900 4.9670 -6.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4930 -0.9790 -1.4140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 1.1750 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 1.7360 -1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 2.8220 -0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1200 4.7920 -1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 6.6610 -1.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 4.5140 -5.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 2.6250 -4.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4960 0.6070 -5.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9070 1.7060 -7.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7320 5.3740 -5.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3640 4.2900 -3.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 1.5100 -0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 9 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 29 2 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 18 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 27 -1 M END