IBS-ZINC00508213 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 2.2840 1.4430 -0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 0.0880 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -0.7100 -0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -0.1240 -0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 1.2370 -1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 2.0190 -0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 1.8100 -1.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -2.1560 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -2.8540 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 -4.3140 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 -5.0930 0.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 -4.7080 0.2970 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3110 -3.8310 0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 -2.2280 0.1380 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 -4.1030 0.3740 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1320 -5.4860 0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0930 -5.5620 1.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5820 -3.1960 1.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6430 -3.0180 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1810 -4.7000 2.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3720 -3.8020 2.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9780 -4.2520 1.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1410 2.0580 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2120 -0.3590 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 -0.7330 -1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 3.0820 -0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7090 2.1160 -0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 -2.6610 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6570 -5.7750 -0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2880 -6.1550 0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5460 -6.5520 1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5430 -5.3750 2.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0240 -3.0460 2.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3900 -2.4670 1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1360 -2.0560 0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2170 -3.0650 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7740 -4.4130 3.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5080 -5.7390 2.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1020 -3.8460 3.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0290 -2.7750 2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7420 -3.7270 0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1450 -4.5480 1.5320 N 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 2 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 42 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 M END