PUBCHEM-ZINC01072138 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 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 -0.7020 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7720 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0790 -1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6920 -1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -0.0080 -2.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -0.7810 -3.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -2.9710 2.7100 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 -4.2450 2.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 -2.0860 3.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5050 -3.2390 3.1490 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3600 -4.0960 2.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6110 -4.4820 3.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4910 -5.3630 2.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4480 -6.7030 2.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3980 -7.1540 1.3200 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5580 -8.0860 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0920 -6.0880 0.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5590 -4.9200 1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0790 -3.6720 1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1160 -3.5930 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6440 -4.7470 -0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1360 -5.9850 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8240 -1.9050 -0.3560 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.4950 -7.5800 2.9660 C 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 -0.1670 2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -3.8520 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.6170 -2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 -1.3980 -3.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 -1.4220 -3.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -0.1140 -4.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8600 -2.8290 3.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6520 -3.5570 1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8130 -4.9970 2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3180 -5.0210 4.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1580 -3.5810 3.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6700 -2.7730 1.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4580 -4.6720 -1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5560 -6.8760 -0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9440 -7.8540 3.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2860 -8.4820 2.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5660 -7.0390 3.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 M END