CHEMBRIDGE-ZINC04976589 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 42 0 0 1 0 0 0 0 0999 V2000 0.0530 2.0050 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 0.5620 0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 0.1560 1.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 -0.1770 -0.8060 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 -1.5380 -0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 -2.1450 -2.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 -1.4560 -3.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 -0.6560 -3.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 0.0050 -5.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -0.1330 -5.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 -0.9330 -5.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 -1.5960 -4.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 -2.4730 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5040 -3.2760 0.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 -2.3980 1.0920 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6380 -3.2500 2.2740 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2660 -4.2530 2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -2.6880 3.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6030 -2.7410 3.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 -2.2590 4.9600 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1160 -2.3280 4.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1410 -3.3450 2.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8700 -2.4230 2.1920 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 2.4620 1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 2.5380 -0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 2.0830 -0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 0.3300 -1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 -3.2270 -2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 -0.5480 -3.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0550 0.6250 -5.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 0.3820 -6.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8720 -1.0410 -6.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6720 -2.2160 -3.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2210 -1.7290 0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -1.6510 3.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 -3.2640 4.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9300 -3.7540 3.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9510 -2.0510 2.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3690 -3.3370 4.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2910 -1.6150 3.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7680 -2.0690 5.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4530 -4.3260 3.4050 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 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 27 1 0 0 0 0 5 6 2 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 M CHG 1 42 -1 M END