IBS-ZINC05422724 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 42 0 0 0 0 0 0 0 0999 V2000 0.0440 1.3660 -0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 0.0130 -1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2870 -0.6760 -0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 0.0230 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2100 1.4000 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 2.0540 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9150 3.9120 0.1690 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -0.9220 0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9260 -2.1320 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6700 -1.9930 -0.7020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -2.7080 -1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6840 -3.3890 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -3.3690 -0.0660 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0300 -4.5630 0.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7730 -5.8270 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 -6.5860 1.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7740 -6.7490 1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 -5.3740 1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 -4.6040 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4140 -7.4780 0.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 -8.6680 0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -8.2980 2.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 -7.4810 2.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 1.9000 -1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 -0.5120 -1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0080 1.9420 0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2940 -0.7170 0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 -6.4290 -0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8390 -5.6190 0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7640 -7.5690 1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 -6.0260 2.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -5.4980 1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3840 -4.8190 2.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 -3.5880 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -5.1060 -0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -8.8770 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4020 -9.5180 0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 -7.7260 1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -9.1900 2.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 8 9 2 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 12 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 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 M END