IFLAB-ZINC04504636 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 -0.5280 1.9610 2.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 0.8100 1.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7990 0.2180 1.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6840 -0.9330 0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0120 -1.5000 0.4310 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8440 -0.9680 -0.6510 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4170 -0.0340 -1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2700 -0.7150 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1620 -0.4800 -1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5720 -1.7680 -2.5390 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.4410 -1.2060 -3.8380 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3340 -2.9530 -2.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9150 -1.9910 -1.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4680 -2.5100 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 -3.1880 1.8370 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9170 -2.7940 1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6070 -2.6510 2.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9590 -2.9170 2.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6320 -3.3260 1.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9530 -3.4690 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6020 -3.2000 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4860 -3.6890 1.4600 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 2.3830 3.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 2.7330 2.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 1.5890 3.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 1.1820 1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 0.0380 2.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2160 -0.1540 2.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4530 0.9900 1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 -0.5610 -0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 -1.7050 1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6250 -1.5850 0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2830 0.1660 0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2140 -0.6300 -1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9980 0.5170 -1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1420 -1.7820 -2.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8060 -3.0040 -1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0830 -2.3330 3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4940 -2.8080 3.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4830 -3.7880 -0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0750 -3.3080 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 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 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 M END