PUBCHEM-ZINC04788529 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 0.9800 -1.1750 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 -0.5090 0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 -0.6520 -1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6610 -0.3600 -2.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4970 -0.5590 -3.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7780 -1.0520 -3.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2180 -1.3470 -2.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3810 -1.1480 -1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6040 -1.4100 0.7330 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 -0.8600 1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 -0.7970 2.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0160 -1.2410 3.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1220 -1.7580 3.6630 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3120 -1.0780 4.7520 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 -0.4910 4.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 -0.2430 5.6290 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 0.3540 5.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 1.3990 6.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6410 1.9960 5.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 1.5640 4.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 0.5290 4.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7420 -0.0820 4.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9960 -0.0540 2.5470 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 -0.1430 2.9260 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 -1.5130 6.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 -2.9610 6.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 -0.7960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 -1.7760 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 -1.7900 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 0.6150 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 0.6020 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 0.0260 -2.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 -0.3270 -4.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4270 -1.2050 -4.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2160 -1.7320 -1.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 1.7380 7.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9980 2.8040 6.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3480 2.0350 4.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 -0.8920 3.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 -0.8720 6.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9240 -1.4450 6.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8070 -3.2840 7.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 -3.6020 5.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3290 -3.0280 6.3160 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 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 25 1 0 0 0 0 17 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 39 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 M END