PUBCHEM-ZINC03689655 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -0.4990 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 -1.8490 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 -2.6800 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 -4.0520 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8230 -4.6000 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9340 -3.7790 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7770 -2.4000 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9030 -1.5650 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2070 -1.9760 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9800 -0.8590 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1320 0.2630 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8870 -0.1660 0.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5650 1.6820 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8170 2.6460 0.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2630 3.9570 0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4250 4.2670 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1100 3.3340 -0.5670 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7200 2.0760 -0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2970 5.3080 1.6550 Br 0 0 0 0 0 0 0 0 0 0 0 0 -7.4340 -1.2860 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3380 -2.7780 0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9800 -3.1380 0.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 -2.2540 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 -4.6980 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9460 -5.6730 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9240 -4.2100 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9140 2.3750 1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7770 5.2880 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3060 1.3420 -1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9840 -0.7210 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8940 -1.1740 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4250 -2.9010 1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0950 -3.3660 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0100 -3.5460 -0.8730 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 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 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 22 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 20 2 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 20 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 M END