PUBCHEM-ZINC04821967 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 -0.4790 1.9900 0.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 0.5070 0.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 0.0180 0.4720 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -0.2710 0.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 -1.6910 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5430 -2.4100 0.1590 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1620 -1.9440 -0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 -3.8970 -0.1790 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2570 -4.1230 -0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 -4.6550 1.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2320 -4.9420 1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9460 -3.5890 1.5740 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1580 -3.7890 2.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2120 -2.3520 1.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1870 -3.5480 0.7970 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3280 -3.0720 -0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6850 -3.2340 -0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1150 -2.8230 -2.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2200 -2.3030 -2.9150 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9540 -2.1710 -2.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5060 -2.5410 -1.3820 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4400 -2.9580 -2.4600 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2920 -3.7890 0.2680 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4120 -3.9800 1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7820 -4.7390 2.9020 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.7080 -5.8180 0.5280 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7920 -6.8660 1.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2730 -6.8130 2.4530 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5350 -8.1080 0.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9760 -4.2370 -1.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2440 -4.1250 -2.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0950 -3.7550 -2.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8540 -4.4600 -3.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 2.4520 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 2.4240 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 2.1690 1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 -1.8410 -0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 -2.0960 1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 -1.7430 -3.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0840 -3.3400 -1.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7240 -2.6710 -3.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8460 -8.7910 0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9590 -8.5930 1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3360 -7.8360 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8890 -4.7710 -3.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8240 -3.5810 -4.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2910 -5.2690 -4.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 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 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 24 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 23 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 42 1 0 0 0 0 29 43 1 0 0 0 0 29 44 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 45 1 0 0 0 0 33 46 1 0 0 0 0 33 47 1 0 0 0 0 M END