IBS-ZINC04772740 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0220 -0.6600 1.1240 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 0.0340 2.3410 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -0.6460 3.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -1.8620 3.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 0.0870 4.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -0.5990 6.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 0.1250 7.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 1.4430 7.1690 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 2.1290 6.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 1.4860 4.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.7330 -1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -0.0620 -2.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 -0.8390 -3.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -0.2310 -4.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -1.0040 -6.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -2.3790 -5.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 -2.9880 -4.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 -2.2270 -3.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -2.8150 -2.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -2.2080 -1.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 -2.8550 -0.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -0.1890 -7.7570 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 1.0040 2.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -1.6780 6.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -0.3950 8.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 3.2080 6.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 2.0540 3.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 1.0170 -2.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 0.8390 -5.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -2.9760 -6.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 -4.0570 -4.7090 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 2 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 33 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 24 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 19 36 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 M END