IBS-ZINC02265854 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.1810 1.7280 -0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 0.3160 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8970 -0.2170 1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 -1.5250 1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 -2.3120 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 -1.8020 -1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -0.5010 -1.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 -0.0460 -2.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.6070 -2.9340 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6610 0.5380 2.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 0.8680 3.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6330 1.5390 4.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 1.5970 3.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 0.9790 2.5970 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8130 2.1350 4.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9260 2.5980 3.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0100 3.1310 4.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5360 4.2420 4.5420 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1560 2.7280 2.1420 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8130 2.1780 2.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7460 2.8090 1.2470 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1510 0.3300 2.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8320 2.0910 1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5440 1.0600 2.2740 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2590 1.0730 2.6460 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1680 2.3030 0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 1.7240 -0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6570 2.2100 -1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 2.3660 0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 -1.9410 2.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0560 -3.3210 0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6660 -2.4230 -1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5150 0.6400 3.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 1.9340 5.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 2.1690 5.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9170 2.4490 1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4650 1.4430 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1720 3.1890 0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5840 -0.3800 -3.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2140 2.4210 5.8780 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 39 2 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 40 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 26 36 1 0 0 0 0 26 37 1 0 0 0 0 26 38 1 0 0 0 0 M CHG 1 9 -1 M CHG 1 18 -1 M END