PUBCHEM-ZINC05048670 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 -0.6250 0.4750 -0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 1.0700 2.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 2.8960 0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6800 3.3610 -0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 4.8060 -0.8870 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4910 5.5860 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0700 5.1500 0.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5380 7.0300 -0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 7.8900 0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 9.2570 0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5620 9.7610 -0.7430 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9650 8.9370 -1.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9870 7.5350 -1.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4770 6.7510 -2.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8980 7.3420 -3.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8480 8.7220 -3.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3870 9.5020 -2.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 10.2570 1.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4050 11.5180 1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0610 12.4830 2.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 12.2010 3.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 10.9690 3.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 10.0070 2.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 13.5010 4.6770 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 -0.5430 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 0.6160 -0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 0.6820 -1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 1.1970 2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 0.0330 2.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9790 1.7310 2.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 3.0210 0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 3.4630 1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2630 2.9610 -1.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7130 3.0040 -0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 5.2460 -1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8520 7.4870 1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5540 5.6690 -2.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2720 6.7280 -4.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1770 9.1960 -4.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3660 10.5850 -3.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1810 11.7600 0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5700 13.4420 2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 10.7460 4.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 9.0630 2.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 1.4280 0.7970 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1220 1.3180 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 45 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 2 45 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END