IBS-ZINC05164215 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 0.0450 1.5450 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 0.0190 0.0070 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5050 -0.4150 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -0.4460 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8550 -0.9890 -1.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 -0.2580 1.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5920 -0.7320 0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 -0.3950 -1.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 -0.4940 -1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6920 -0.2420 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0520 -0.3400 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7820 -0.6930 -0.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1270 -0.9500 -2.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7420 -0.8520 -2.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0340 -1.2690 -3.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2980 -1.2510 -2.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4280 -1.5250 -3.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3580 -1.7700 -4.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1160 -1.8380 -5.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0580 -2.0680 -6.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2250 -2.2310 -7.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4580 -2.1650 -6.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5320 -1.9300 -5.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1350 -2.5450 -9.4110 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.2210 -0.8800 -1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1420 -0.7550 -0.4640 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 1.8820 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4520 1.9800 -0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 1.8610 1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1270 -0.5170 1.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0850 -0.2260 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5900 -1.8070 0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1270 0.0320 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5630 -0.1440 1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 -1.0490 -3.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3800 -1.5640 -2.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2060 -1.7120 -4.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1010 -2.1210 -7.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3630 -2.2930 -7.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4940 -1.8740 -5.0760 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 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 25 26 2 0 0 0 0 M END