IBS-ZINC04937774 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 0 0 0 0 0 0999 V2000 -0.3310 1.2500 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -0.2450 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 -0.5650 -1.1770 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0650 -0.5300 -1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0910 -0.2150 -0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4050 -0.2580 -0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7200 -0.6140 -2.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7140 -0.9310 -3.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 -0.8900 -2.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 -1.1630 -3.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 -1.5330 -4.5840 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 -1.8400 -5.3880 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 -2.1010 -6.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 -2.0690 -7.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0170 -2.4230 -7.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0050 -2.7130 -8.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3390 -2.9480 -9.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0610 -2.8040 -8.1550 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3240 -2.4920 -7.1500 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6460 -2.3330 -6.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8560 -3.3060 -10.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -0.9340 -2.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1350 -1.0560 -2.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5260 -0.6670 -2.7290 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 1.8230 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9710 1.5040 -0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 1.4880 1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 -0.5000 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 -0.8180 0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 0.0640 0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -0.0120 -0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 -1.2080 -4.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9190 -1.8660 -5.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1470 -2.7490 -9.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1020 -2.3940 -11.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7490 -3.9220 -10.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0910 -3.8580 -11.1520 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 22 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 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 M END