PUBCHEM-ZINC03648346 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 0 0 0 0 0 0999 V2000 -0.0220 0.9980 0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -0.2320 1.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 -0.8140 1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4540 -0.1570 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 1.0850 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 1.6540 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -0.7730 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8950 -1.9820 0.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8480 0.0060 -0.1450 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7200 1.4010 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2540 2.0400 1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1290 3.4150 1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4670 4.1560 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9300 3.5220 -1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0640 2.1470 -1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2940 6.0390 -0.0580 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.0440 -0.5580 -0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2300 -2.2560 -0.3090 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0920 0.2160 -0.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3490 -0.4580 -1.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4140 0.5760 -1.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6770 1.4400 -0.2390 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6090 1.1920 0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3520 0.2320 0.7250 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5760 2.2840 1.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2860 2.5610 2.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9990 3.7060 3.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0090 4.5740 3.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2910 4.3100 2.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5670 3.1690 1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0240 2.5870 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1360 3.0640 -0.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 1.4470 0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4590 -0.7390 1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 -1.7740 1.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8760 1.5980 -0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 2.6150 -0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9900 1.4620 1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7660 3.9130 1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 4.1020 -2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4310 1.6530 -2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6660 -1.0050 -0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2160 -1.1550 -1.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3320 0.0650 -1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0570 1.1820 -2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0600 1.8860 3.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5520 3.9220 4.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7940 5.4630 3.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5180 4.9920 1.6740 H 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 33 1 0 0 0 0 2 3 2 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 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 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 31 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 M END