IFLAB-ZINC00676518 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 -0.0370 1.5550 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 0.0250 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 -0.5030 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 -0.7330 -1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3730 -1.2180 -1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0110 -1.4750 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3460 -1.2440 1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -0.7630 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2110 -1.5920 2.8730 Br 0 0 0 0 0 0 0 0 0 0 0 0 -5.2830 -1.9520 0.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9050 -2.1650 -1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3020 -2.6920 -1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7230 -2.8670 0.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0830 -2.9680 -2.0850 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.3420 -3.5470 -1.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1050 -3.2080 -0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3480 -3.7820 -0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8340 -4.6920 -1.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0770 -5.0320 -2.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8360 -4.4570 -2.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4200 -5.4210 -1.2850 S 0 0 0 0 0 0 0 0 0 0 0 0 -13.4110 -6.6450 -2.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.6930 -5.3420 0.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.5260 -4.4440 -2.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.4930 -4.2900 -3.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3100 -3.5510 -4.0970 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.1330 -3.5190 -5.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1200 -4.2660 -5.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3650 -5.0400 -4.4550 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 1.9370 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 1.9180 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 1.8990 0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 -0.3190 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 -0.3380 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5840 -0.5320 -2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8880 -1.3970 -2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 -0.5870 2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9490 -1.2230 -1.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3250 -2.8900 -1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7710 -2.7650 -2.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7260 -2.4980 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9410 -3.5190 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4590 -5.7440 -3.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2470 -4.7200 -3.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1970 -3.9790 -1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7580 -2.9360 -6.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8130 -4.3740 -6.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 37 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 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 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 M END