PUBCHEM-ZINC04141584 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 51 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2020 -0.7010 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 0.0050 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 1.3950 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 2.0910 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7420 2.0290 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4230 1.5030 1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1110 2.3100 1.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6380 1.7550 3.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4730 0.4120 3.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -0.4110 2.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3240 0.1410 1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7430 -0.6840 0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6920 -0.1110 -0.8390 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5220 0.2480 -0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 1.2440 -1.3950 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3540 1.0980 -2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4400 1.6090 -2.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9120 2.7150 -2.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9360 0.4200 -2.6070 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3680 -0.6750 -2.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4220 -1.8350 -2.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9080 0.3330 -3.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3610 -0.9080 -4.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3180 -0.9910 -5.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8250 0.1620 -5.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3760 1.4000 -5.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4150 1.4890 -4.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8510 0.0700 -6.6640 N 0 3 0 0 0 0 0 0 0 0 0 0 10.2480 -1.0200 -7.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2990 1.0850 -7.1680 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7070 -2.6410 0.3700 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.5490 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 -1.7810 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 3.1710 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7590 3.1140 -0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2400 3.3610 1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1850 2.3810 3.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8680 0.0020 4.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6590 -1.4620 2.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9650 -1.8090 -3.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6710 -1.9570 -5.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7740 2.2990 -5.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0610 2.4560 -3.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 4 5 2 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 12 2 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 13 14 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 17 1 0 0 0 0 15 22 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 M CHG 1 30 1 M CHG 1 32 -1 M END