PUBCHEM-ZINC05042221 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 0 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 1.5850 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 1.7940 -1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7480 2.2600 -2.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0230 2.4850 -3.4310 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 2.2590 -3.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 1.8270 -2.3350 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 2.5550 -4.8830 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9090 2.0990 -4.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9220 2.2810 -5.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 1.9210 -4.9620 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2480 2.0260 -5.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5390 1.6930 -5.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5770 1.8010 -6.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3310 2.2410 -7.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0450 2.5740 -8.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0020 2.4620 -7.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7130 3.1760 -9.8060 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.9520 2.4560 -2.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 1.4370 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6420 1.6030 -0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1840 2.7370 -3.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 1.0580 -3.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6470 1.6440 -6.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9260 3.3230 -5.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7320 1.3500 -4.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5820 1.5420 -6.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1440 2.3240 -8.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9970 2.7170 -7.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4560 2.8060 -4.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 19 2 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 31 1 0 0 0 0 M END