IBS-ZINC02352843 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 0.8300 0.7760 1.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 -0.0830 0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 -0.2650 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 0.4310 -0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 1.3070 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0330 1.4610 1.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0320 2.0410 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1360 3.3590 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 4.0270 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5180 3.4410 -0.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2720 5.3760 -0.3810 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9830 5.8460 -0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6090 7.0030 -0.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 4.5090 -0.1960 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4010 6.2720 -0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6790 6.5380 -2.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1780 7.6880 -2.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4160 7.9160 -4.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1550 6.9970 -4.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6640 5.8320 -4.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4150 5.6160 -2.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4580 4.8320 -4.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9530 3.8410 -4.3430 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9760 0.1990 -1.9320 N 0 3 0 0 0 0 0 0 0 0 0 0 3.1820 -0.9830 -2.2430 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2960 1.1880 -2.6040 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2720 0.9110 2.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 -0.6130 0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -0.9430 -1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 2.1210 2.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9300 1.4280 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1900 7.2180 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2970 5.8480 -0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5930 8.4120 -2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0270 8.8110 -4.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3370 7.1870 -5.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8020 4.7100 -2.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5720 5.0600 -6.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 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 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 2 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 23 -1 M CHG 1 24 1 M CHG 1 26 -1 M END