PUBCHEM-ZINC06680709 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 1 0 0 0 0 0999 V2000 0.8290 3.3010 -1.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 1.9720 -1.1220 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5910 1.8790 -1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 1.9280 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 2.2020 1.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 2.1620 2.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 1.8480 2.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0480 1.5730 1.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4640 1.6080 0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 0.8660 -1.9340 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 0.3840 -2.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 0.8670 -3.2050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -0.7270 -3.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -1.3160 -4.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4470 -0.9880 -4.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2080 -0.9440 -3.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5480 -0.6340 -3.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1500 -0.3660 -4.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4150 -0.4050 -6.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0630 -0.7090 -6.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 -0.7420 -7.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5730 -0.5760 -2.0730 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.1230 -1.1970 -3.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1850 -1.5690 -3.4260 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9110 3.3940 -1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 3.3330 -2.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4480 4.1240 -1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 2.4480 1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 2.3770 3.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7450 1.8170 3.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0940 1.3270 1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0550 1.3900 -0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8720 0.4800 -1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3980 -2.0190 -5.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7430 -1.1530 -2.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2020 -0.1240 -4.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8930 -0.1950 -6.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -1.6090 -7.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 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 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 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 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 21 38 1 0 0 0 0 23 24 3 0 0 0 0 M END