PUBCHEM-ZINC03870762 MOE2007 3D CORINA 3.40 0006 02.08.2006 65 68 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2090 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 0.0290 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4110 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 3.8470 0.0120 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 4.2180 -0.6030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 4.1840 -0.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 4.2910 1.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 5.8140 1.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 6.1720 3.3340 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 6.3790 4.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4010 6.3000 3.6920 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8650 6.6840 5.3190 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4490 6.6640 5.3320 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 6.3530 4.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 6.2470 3.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2970 6.9590 6.5590 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2570 6.4440 6.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 6.4650 7.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 6.4830 7.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6260 7.0010 6.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 8.4460 6.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 9.1920 5.8230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 8.9450 7.7370 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 10.3900 7.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 10.6890 9.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5050 12.1820 9.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2840 12.4810 10.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4350 12.0970 11.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 10.6040 11.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 10.3050 10.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2020 12.3920 12.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5300 12.6280 14.1260 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 -2.5700 -0.0230 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 -0.4970 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9650 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 3.8690 2.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 3.8940 2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0170 6.2360 1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 6.2110 1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 6.0830 8.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3700 6.1160 8.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 6.5130 6.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7540 8.0800 6.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5240 8.3480 8.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 10.8970 7.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 10.7450 6.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 10.1120 9.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5800 12.7590 9.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1100 12.4550 8.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5190 13.5440 10.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2090 11.9040 10.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 12.6740 11.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 10.3310 12.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0300 10.0270 11.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 9.2420 10.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 10.8830 10.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5610 12.6050 14.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0240 12.8170 14.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4950 12.4220 12.9350 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9710 12.2550 12.1060 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 37 1 0 0 0 0 2 3 2 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 4 5 2 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 17 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 23 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 24 1 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 32 1 0 0 0 0 31 34 1 0 0 0 0 31 57 1 0 0 0 0 32 33 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 35 1 0 0 0 0 34 64 2 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 64 65 1 0 0 0 0 M END