IBS-ZINC02353627 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 -0.6200 3.1440 -0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 3.1600 1.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 3.5650 3.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 2.9340 3.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8990 2.3890 2.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3870 1.7220 2.8220 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1290 2.1730 4.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9370 2.8170 4.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5690 3.2610 5.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 3.8130 6.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5120 2.9630 6.9670 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7560 2.3070 6.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5890 2.1180 7.6410 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0530 1.8980 5.4310 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3240 1.1920 5.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1520 -0.2970 5.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1110 -0.9180 5.3170 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2790 -0.9320 5.9710 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2290 -1.9270 6.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1610 -0.4640 6.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1870 3.3520 8.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4980 2.5160 9.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1850 2.8850 10.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5540 4.0990 10.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2320 4.9450 9.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 4.5720 8.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 4.5560 12.5870 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4190 2.3420 0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 2.1440 -0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 3.9160 -0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 3.2880 -1.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 3.8140 1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 2.1160 1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 3.2790 3.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 4.6550 3.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0850 1.6040 5.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7060 1.3230 4.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9660 1.5460 9.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4350 2.2150 11.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7430 5.8980 10.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3010 5.2760 7.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 1.3360 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1960 2.6580 0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 3.2920 0.7220 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6310 4.2420 0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 44 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 44 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 14 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 1 0 0 0 0 11 21 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END