IFLAB-ZINC04163650 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 0 0 0 0 0 0999 V2000 -0.2500 1.9250 0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 0.4370 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -0.4840 1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -1.8040 0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 -3.1040 0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 -4.1500 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 -3.9110 -1.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -2.6280 -1.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -1.5600 -0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 -0.1990 -1.1500 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 0.2390 -2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 -0.2070 2.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 -0.2660 3.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5740 0.1480 3.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5240 0.3020 2.2930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 0.2990 4.3640 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9940 0.5250 4.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1400 1.3200 6.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3950 1.5420 6.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5080 0.9750 5.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3680 0.1830 4.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1130 -0.0480 4.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8930 -0.5900 4.0340 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 2.3790 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 2.3500 -0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 2.1220 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 -3.2920 1.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 -5.1610 0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 -4.7380 -2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 -2.4530 -2.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 0.2500 4.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 1.7640 6.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 2.1600 7.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4890 1.1510 6.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0030 -0.6700 3.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 12 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 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 13 2 0 0 0 0 12 14 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 31 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 35 1 0 0 0 0 M END