PUBCHEM-ZINC04695717 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 -0.1570 1.3130 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 0.1810 -0.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3460 -0.4500 -0.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 0.0360 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 1.1790 0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8290 1.8120 0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6700 -0.6330 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8660 0.0930 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1110 -0.5440 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1880 -1.9270 0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0110 -2.6630 0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7680 -2.0200 0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5360 -2.5580 0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4700 -1.8770 0.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6000 -3.8590 -0.1910 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7120 -4.7340 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9860 -4.3720 0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0440 -5.2830 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8300 -6.5600 -0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5670 -6.9390 -0.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4900 -6.0350 -0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1180 -6.4600 -1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1930 -5.5810 -1.1310 O 0 5 0 0 0 0 0 0 0 0 0 0 12.2660 -7.7880 -0.4390 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 1.8040 -0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 -0.2140 -1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -1.3260 -1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8230 1.5830 1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 2.6940 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8400 1.1670 -0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0180 0.0480 -0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0280 -3.7360 0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.6200 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7450 -4.3220 -0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1840 -3.3850 0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0260 -4.9810 0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4010 -7.9390 -1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9890 -7.6350 -1.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 38 2 0 0 0 0 M CHG 1 23 -1 M END