PUBCHEM-ZINC05500690 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 1 0 0 0 0 0999 V2000 -4.9350 1.2700 1.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7990 0.3090 1.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6520 0.6770 1.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0570 -0.9580 0.9170 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9520 -1.8920 0.6840 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3530 -2.8610 0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0520 -1.3490 -0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8220 -1.3100 -1.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6370 -0.3150 -2.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1320 -0.6510 -3.3360 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6560 -1.8300 -3.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8230 -2.2680 -2.6950 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 -3.1030 -2.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9400 -2.4920 -4.8390 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9830 -1.8510 -5.9580 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4400 -0.6020 -6.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 -0.2550 -5.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7950 1.0080 -5.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3390 1.9330 -6.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4310 1.5960 -7.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9800 0.3350 -6.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 3.6630 -6.3660 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.1490 -2.0470 1.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2190 -1.2070 2.8160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 -3.1170 2.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 -3.2010 3.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5340 2.2390 1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5160 1.3820 0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5760 0.8840 2.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9740 -1.2520 0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7230 -0.3420 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 -1.9980 -0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8520 0.5960 -1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9130 -0.9750 -4.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9430 1.2770 -4.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8510 2.3230 -7.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8290 0.0720 -7.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 -3.2190 4.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -4.1120 3.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -2.3350 3.4490 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 M END