PUBCHEM-ZINC00706980 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7010 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0820 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7710 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0700 -1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6880 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.9280 -2.7190 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -4.1300 -0.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -4.7850 1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -6.2780 1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 -7.1610 2.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -6.4650 -1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 -8.4100 1.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -8.2570 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -6.8980 -0.1630 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -9.3840 -0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 -10.6280 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -10.7090 1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 -9.6290 2.0070 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -12.2020 -1.1750 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1640 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6250 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1410 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 -4.4820 1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 -4.5070 1.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -9.2940 -1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 -11.6800 1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 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 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 27 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 20 2 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 M END