PUBCHEM-ZINC00987199 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.6190 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 0.1370 2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -0.4900 3.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 -1.8700 3.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 -2.6300 2.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -2.0080 1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -2.7540 0.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -4.1740 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5910 -2.5480 4.3150 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5360 -3.6290 4.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0330 -2.1140 4.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0910 -2.4540 3.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1730 -1.8350 3.9520 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8290 -1.0840 5.0870 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4310 -0.5300 5.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5140 -1.2690 5.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7330 -0.7560 6.3090 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5170 -1.3090 6.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9300 -2.1480 5.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6350 -2.6780 5.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 -3.0980 6.1590 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8340 -1.0010 7.6440 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0110 -3.3530 2.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7870 -3.0980 1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7090 -3.9370 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8620 -5.0310 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0880 -5.2890 1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1640 -4.4600 2.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7590 -6.1760 -1.3570 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 1.2150 2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 0.1000 3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -3.7080 2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -4.6480 -0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 -4.4700 0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 -4.4890 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2290 -0.4010 8.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9580 -1.3830 7.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4480 -2.2440 1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3100 -3.7390 -0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4280 -6.1440 1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5640 -4.6640 3.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 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 11 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 3 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 M END