IBS-ZINC05451234 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 40 0 0 0 0 0 0 0 0999 V2000 0.0070 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -0.8450 1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -0.5970 2.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -1.6430 3.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -2.9540 2.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -3.2230 1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -2.1730 0.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -2.1230 -0.7030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -2.8900 -1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.8000 -1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -0.3270 -2.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 0.8610 -2.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -1.2100 -3.5050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 -2.6670 -3.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 -3.2230 -4.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 -1.9960 -5.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 -0.8710 -4.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 0.3900 -5.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 0.5100 -6.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 -0.6180 -7.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 -1.8710 -7.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -1.3040 5.2580 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 1.8690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 1.8690 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 1.8600 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 0.4180 2.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -3.7700 3.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -4.2450 1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 -2.9640 -2.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 -3.0180 -2.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 -3.7920 -4.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 -3.8460 -5.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 1.2760 -4.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 1.4900 -7.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3920 -0.5220 -8.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 -2.7540 -7.6530 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 1 0 0 0 0 2 11 2 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 7 2 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 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 18 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 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 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 M END