PUBCHEM-ZINC05558849 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 -0.6360 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3720 0.1040 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 -0.5320 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6600 -1.9300 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4880 -2.6830 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -2.0380 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -2.8270 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -2.2620 -0.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9710 -2.6060 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0630 -1.9040 0.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3080 -2.5460 0.0610 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4420 -1.8170 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3840 -0.6030 0.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7550 -2.4940 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9310 -1.7420 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1540 -2.3800 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2160 -3.7640 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0530 -4.5150 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8250 -3.8890 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8970 -4.6300 0.1200 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 1.1840 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5030 0.0500 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5370 -3.7620 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0220 -3.6840 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3540 -3.5150 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8840 -0.6640 0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0640 -1.8000 0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1080 -5.5940 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9180 -4.4760 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -4.1730 -0.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 -4.6470 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 11 12 2 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 16 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 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 35 36 1 0 0 0 0 M END