PUBCHEM-ZINC00679564 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5250 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -0.0040 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 -0.4990 0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 -1.8490 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7710 -2.3940 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9340 -3.7800 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8130 -4.6100 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 -4.0560 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 -2.6780 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -4.8640 -0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8280 -4.2260 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9290 -5.2880 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2910 -4.3670 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2660 -3.6420 0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4460 -5.7060 0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7190 -6.2600 0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8640 -7.6400 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1330 -8.1770 0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2200 -7.3120 0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0030 -5.9520 0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7800 -5.4680 0.1490 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.1780 -5.0080 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9790 -7.9900 0.5050 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.9030 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.8870 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8760 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -0.3550 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3660 0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6360 -1.7480 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9340 -5.6830 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -2.2490 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9160 -3.5980 -0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9310 -3.6090 0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 -5.9050 -0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9040 -4.8010 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8400 -5.9160 0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6710 -6.2830 -0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9960 -8.2830 0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2760 -9.2450 0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3980 -4.7140 1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9380 -4.1220 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0470 -5.5050 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 7 8 2 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 37 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 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 M END