CHEMDIV-ZINC02679884 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 37 0 0 1 0 0 0 0 0999 V2000 0.2360 0.1270 -1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 -0.0270 0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 -1.0700 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 -0.4000 1.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -0.4350 2.7690 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8910 -1.0560 2.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 -1.0810 3.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 -0.2420 4.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 0.9130 3.2730 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5160 1.5500 3.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 1.0460 2.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5010 2.9570 3.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 3.5880 3.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9070 4.8710 4.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1630 5.4310 3.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4610 6.7350 4.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4980 7.4920 4.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2450 6.9350 5.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9420 5.6290 4.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 7.9660 5.9680 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.8090 -1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 0.4230 -1.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 0.9000 -1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 0.9410 0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 -2.0620 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 -1.1430 1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 -0.8050 -0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 -1.3770 1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 0.3160 1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 1.3340 3.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 2.8630 4.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 3.5220 3.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9160 4.8400 3.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4410 7.1560 3.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7320 8.5060 5.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 5.2280 4.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 -2.3400 3.5470 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 37 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 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 36 1 0 0 0 0 M CHG 1 37 -1 M END