PUBCHEM-ZINC03741315 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 0 0 0 0 0 0999 V2000 0.0770 2.0790 2.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 0.6740 3.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -0.3390 2.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 -1.7520 2.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -2.6260 1.9140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 -3.9440 2.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 -4.7350 1.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 -6.1050 1.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6670 -6.7020 2.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 -5.9070 3.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 -4.5340 3.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7660 -8.1390 2.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 -9.1400 2.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4570 -10.3810 3.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 -11.7240 3.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 -12.7170 3.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 -12.4040 3.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7390 -11.0810 3.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7990 -10.0960 3.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9560 -8.7390 3.3310 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8310 -8.2480 3.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 -14.5200 3.7210 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 -8.9650 2.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 -8.8000 1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 -8.4950 0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4740 -8.3000 -0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2970 2.1280 1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 2.7870 3.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 2.4030 2.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 0.6670 4.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1190 0.3940 3.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3930 -0.3290 1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7930 -0.0590 2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 -1.7740 3.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 -2.0520 2.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7970 -4.2800 0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0160 -6.7000 1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 -6.3510 4.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -3.9600 3.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -11.9780 3.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0060 -13.1860 4.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7780 -10.8320 3.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 -9.8250 2.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 -8.0930 3.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 -7.9890 0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 -9.7150 0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9430 -9.3140 1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6210 -7.5890 1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8680 -7.4720 -1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2440 -9.2110 -1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8880 -7.9630 -1.0670 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.0390 -7.8420 -2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1730 -7.0860 -0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5290 -8.7030 -0.7500 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 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 23 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 40 1 0 0 0 0 16 17 1 0 0 0 0 16 22 1 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 51 54 1 0 0 0 0 M CHG 1 51 1 M END