IBS-ZINC05453702 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -1.2910 1.1910 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 -0.1540 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -0.7030 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -1.9370 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 -2.6270 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -2.0750 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6160 -0.8390 -1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.7680 -2.4260 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -2.0940 -3.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 -0.8810 -3.5840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 -2.8470 -4.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3700 -1.6700 -6.2540 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 -2.7900 -7.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 -4.0980 -7.5120 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 -1.5200 -9.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 -4.6520 -8.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 -3.5920 -9.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6170 -2.4250 -8.9190 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7920 -3.8700 -11.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 -5.1990 -11.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 -6.1970 -10.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5990 -5.9110 -9.1770 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 -5.6450 -13.2430 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 -3.8400 -0.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 -4.3430 1.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 1.9750 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 1.2350 -0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6720 1.3350 1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 -0.1660 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 -2.3620 1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0950 -0.4110 -1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -3.7340 -2.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -3.4610 -5.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 -3.4860 -4.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 -3.0740 -11.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 -7.2310 -10.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 -4.4480 1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2850 -5.3160 0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6090 -3.6500 1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 29 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 24 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 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 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 22 2 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 24 25 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 M END