PUBCHEM-ZINC04631313 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 0.0150 1.5140 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 0.0080 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -0.6790 1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 -2.0450 1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -2.7630 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -2.0670 -1.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -0.6790 -1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 -3.0280 -2.2270 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 -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 -4.0860 -0.3130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -5.5530 -2.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -6.7100 -1.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 -7.9990 -2.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 -9.1560 -1.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 -10.3660 -2.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -10.4370 -3.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 -9.2910 -4.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 -8.0790 -3.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 -9.3960 -5.8620 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 -11.6300 -4.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -11.4910 -1.7680 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5430 -11.3460 -0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 -5.6040 -3.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 -5.6440 -4.8560 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 1.8680 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4130 1.8810 -0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 1.8840 0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 -0.1280 2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 -2.5690 2.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -0.1400 -2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -6.6760 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 -9.1000 -0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 -7.1900 -3.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 -12.1270 -4.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 -10.6520 -0.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 -10.9580 0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 -12.3160 -0.1500 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 11 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 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 24 1 0 0 0 0 13 14 1 0 0 0 0 13 32 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 33 1 0 0 0 0 16 17 1 0 0 0 0 16 22 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 34 1 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 3 0 0 0 0 M END