IBS-ZINC01826216 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 0.4850 1.1160 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 0.9690 2.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 1.3030 3.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 2.7430 3.6390 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9340 3.1800 2.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 2.9040 1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 3.5540 4.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 3.1390 5.8390 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 4.1380 6.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 3.9640 7.8810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 5.4710 6.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 6.5730 6.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 7.9060 6.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 9.0760 7.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 10.1660 6.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6200 9.6300 5.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4990 8.2710 5.3930 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2690 10.1960 4.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8900 9.3730 3.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5160 9.9190 2.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5240 11.3060 1.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9130 12.1450 2.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 11.5870 3.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1720 11.8800 0.7200 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.5580 11.0950 -0.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2930 13.1130 0.6680 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3890 5.2850 4.6530 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 0.0390 0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4020 1.6750 0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 1.4090 -0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 1.4850 2.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -0.1110 2.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 0.7380 3.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 0.9820 4.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8590 2.6240 2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2050 4.2390 2.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 3.1270 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 3.4790 1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 6.4660 7.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 9.1350 8.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 11.2130 6.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8980 8.2930 3.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9900 9.2490 1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9060 13.2260 2.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8210 12.2600 4.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 1.4260 1.2390 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3670 0.8870 1.0170 H 0 0 0 0 0 0 0 0 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 1 46 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 2 46 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 6 46 1 0 0 0 0 7 8 2 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 18 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 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 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 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M CHG 1 46 1 M END