PUBCHEM-ZINC04749223 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 41 0 0 1 0 0 0 0 0999 V2000 -1.1180 0.3060 2.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 -1.0660 1.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 -1.0100 0.2170 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5180 -0.3670 -0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 -0.3500 -0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 -2.4140 -0.4160 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2550 -2.8970 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -2.2310 -1.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8170 -2.5860 -2.6910 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2820 -3.3160 -0.2090 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 -4.1230 0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 -4.2060 1.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7550 -4.9360 0.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6070 -6.0340 1.7990 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9060 -6.9990 2.2080 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.5210 -7.7780 3.3670 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1130 -6.2010 2.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9900 -8.1270 0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0130 -9.1190 0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1050 -10.0500 -0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1740 -9.9850 -1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1480 -8.9920 -1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0590 -8.0580 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3110 -11.2630 -2.6010 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 0.1950 3.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 0.8660 1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 0.8980 2.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 -1.6520 2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1150 -1.5730 2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7040 0.6890 0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 -0.3270 -1.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5220 -0.8780 0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9230 -3.3170 -1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5760 -4.2730 1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9180 -5.3310 -0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8510 -5.9290 2.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1860 -9.1750 1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3480 -10.8250 -0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9840 -8.9460 -1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8260 -7.2930 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 -1.7670 -2.2350 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 9 2 0 0 0 0 8 41 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 M CHG 1 41 -1 M END