IFLAB-ZINC04852917 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 1 0 0 0 0 0999 V2000 -0.0130 1.5030 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -0.0270 0.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8670 -0.5390 1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 -2.0660 1.0150 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5120 -2.5080 1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 -2.6230 0.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6570 -3.9450 1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9280 -4.4840 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9890 -3.7030 0.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7780 -2.3810 0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 -1.8340 0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3140 -0.5240 0.1540 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8220 -1.6140 0.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1070 -2.2380 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2150 -6.2900 1.7060 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.6340 -2.3420 -0.2660 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 -1.5590 -1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 -1.8400 -2.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 -0.4840 -1.2590 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 0.2630 -2.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 -0.2150 -3.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 0.4620 -2.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3700 0.0230 -3.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3940 -1.0910 -4.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2210 -1.7670 -4.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 -1.3260 -3.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 1.8860 -0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 1.8650 -0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 1.8470 1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8630 -0.0970 1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 -0.2900 2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 -4.5560 1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9820 -4.1240 0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8480 -1.5170 -0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0750 -3.0840 -0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3780 -2.5880 0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 -3.0860 -0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 1.3260 -2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 0.1020 -3.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1540 1.3320 -2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2860 0.5510 -3.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3290 -1.4340 -4.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2400 -2.6380 -5.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -1.8520 -4.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 12 1 0 0 0 0 2 19 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 6 1 0 0 0 0 4 16 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 M END