PUBCHEM-ZINC05117693 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 -0.0160 1.3450 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 -0.3890 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 0.7820 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 1.8020 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.5790 3.2200 0.0030 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4840 3.3780 0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7720 3.7370 -1.4450 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0430 3.2870 -2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 5.2550 -1.2850 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9330 5.6340 -2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 5.3640 0.0220 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2660 5.9410 0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 4.0270 0.5110 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 6.0400 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 6.2420 0.9810 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 5.9630 -1.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1040 3.4910 -1.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4490 0.6830 -0.0270 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9900 1.4880 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0510 -0.5340 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3720 -1.6610 -0.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 -1.6660 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4090 -2.7190 -0.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4190 -0.5910 -0.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 -0.8910 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4790 -1.3080 1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0430 -2.4980 1.4570 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 1.9550 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4710 7.0020 -0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2380 5.4050 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 6.6680 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6470 6.9200 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2740 3.7970 -2.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9380 0.2280 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8690 -1.4500 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0210 -0.3680 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9490 -1.7780 -0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 -1.8310 1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6940 -0.4210 2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 3 4 2 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 18 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 25 35 1 0 0 0 0 25 36 1 0 0 0 0 26 27 1 0 0 0 0 26 37 1 0 0 0 0 26 38 1 0 0 0 0 27 28 1 0 0 0 0 27 39 1 0 0 0 0 27 40 1 0 0 0 0 M CHG 1 5 1 M END