IFLAB-ZINC05258469 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 51 0 0 1 0 0 0 0 0999 V2000 1.5480 -2.2870 -2.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 -1.8240 -1.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -2.4160 -1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 -1.9520 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 -2.4380 -0.1380 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1820 -2.1080 -1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4050 -1.8610 1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5010 -0.3400 0.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7060 -3.9670 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1560 -5.9060 -0.1160 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2780 -6.3280 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4190 -6.3930 -0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3290 -6.0600 -2.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3510 -5.4900 -2.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3360 -6.3970 -3.1260 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2100 -6.1800 -4.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9700 -6.2990 -5.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8480 -6.0840 -6.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9610 -5.7500 -7.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1970 -5.6310 -6.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3270 -5.8510 -5.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0200 -5.6950 -4.4330 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.1900 -6.3460 1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1640 -5.5220 2.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 -1.8660 -2.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6100 -3.3760 -2.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9690 -1.9520 -3.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 -2.1590 -0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -0.7350 -1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 -2.0800 -2.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 -3.5040 -1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 -2.3630 0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 -0.8630 -0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4080 -2.2840 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 -2.1100 1.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0950 0.0630 1.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 0.0910 0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9760 -0.0900 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1160 -4.3770 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 -4.2940 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5120 -7.4720 -0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2920 -5.9020 -0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1480 -6.7900 -2.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1000 -6.5590 -4.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8840 -6.1760 -6.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8630 -5.5830 -8.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0640 -5.3690 -7.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0930 -4.4390 -0.1790 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6750 -4.0220 0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2480 -7.6520 1.6260 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2680 -7.8860 2.5640 H 0 0 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 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 9 48 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 10 48 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 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 43 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 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 23 24 2 0 0 0 0 23 50 1 0 0 0 0 48 49 1 0 0 0 0 50 51 1 0 0 0 0 M END