PUBCHEM-ZINC06160972 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 0.0120 1.5140 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 0.0070 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -0.6800 1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 -2.0450 1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -2.7640 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -2.0670 -1.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -0.6790 -1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 -3.0280 -2.2260 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 -2.8680 -3.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 -4.2500 -1.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -4.0870 -0.3130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 -5.5520 -2.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -6.7100 -1.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -7.9990 -2.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 -9.1560 -1.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 -10.3630 -2.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2020 -10.4360 -3.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 -9.2920 -4.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 -8.0790 -3.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5630 -9.4020 -5.8620 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 -11.6300 -4.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 -12.7660 -3.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -13.9920 -4.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 -14.8320 -4.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 -5.6030 -3.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 -5.6430 -4.8550 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0380 1.8690 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 1.8800 -0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5770 1.8840 0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 -0.1290 2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 -2.5700 2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 -0.1390 -2.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -6.6760 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 -9.1000 -0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 -11.2550 -1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -7.1920 -3.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3320 -12.6020 -3.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 -12.9090 -2.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8810 -14.1780 -4.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 -15.7100 -5.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 -14.6450 -4.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 10 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 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 36 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 3 0 0 0 0 M END