PUBCHEM-ZINC02867544 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 0 0 0 0 0 0999 V2000 -0.2230 1.4130 -0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 -0.0840 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -0.7640 1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.1590 1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -2.9100 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -2.2390 -1.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 -0.8240 -1.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -3.0550 -2.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -4.4440 -2.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -5.0130 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -4.2500 -0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -6.4680 -0.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 -7.0700 0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 -8.4470 0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 -9.2540 -0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 -8.6770 -1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 -7.3010 -1.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 -9.7670 -2.7830 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 -2.4720 -3.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1130 -2.0560 -4.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 -2.4330 -4.5350 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -1.9520 -5.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1370 -0.8010 -6.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4980 -1.6940 -4.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4780 -2.8260 -4.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5420 -0.1460 -5.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 1.8310 -0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 1.7580 -1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 1.8050 0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 -0.2200 1.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -2.6740 2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -0.2930 -2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -5.0520 -3.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 -6.4600 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 -8.8840 1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4890 -10.3230 -0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -6.8810 -2.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4180 -2.8010 -6.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 -1.6280 -6.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2210 -0.5340 -7.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 0.0780 -5.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2340 -0.8250 -3.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5070 -2.0360 -3.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 -3.1050 -2.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7930 -3.7100 -4.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2650 0.7240 -5.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5520 0.0990 -6.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5180 -0.5360 -5.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 -1.2270 -5.6420 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8120 -2.0280 -6.2210 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 37 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 25 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 49 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 49 1 M END