IFLAB-ZINC04033371 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 1 0 0 0 0 0999 V2000 -0.0070 1.4840 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -0.0460 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 -0.5380 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 -2.0030 1.2270 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7360 -2.8130 0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9140 -2.5740 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6790 -3.6360 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2790 -4.9410 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1230 -5.1950 0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3320 -4.1340 0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -4.0640 1.6130 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 -2.8170 1.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 -2.3440 2.5180 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4400 -1.2550 2.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4590 -2.9320 3.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 -3.2070 4.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4400 -3.4070 5.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5860 -3.1970 3.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6760 -2.9330 1.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9630 -3.4100 2.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5720 -3.2630 1.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9300 -3.4740 1.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6850 -3.8310 2.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0820 -3.9780 3.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7220 -3.7750 3.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5450 -4.1180 2.4160 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 1.8600 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 1.8340 -0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 1.8470 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 -0.4220 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -0.4090 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7720 -0.1620 1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 -0.1750 2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2290 -1.5610 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5950 -3.4520 -0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8880 -5.7630 -0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 -6.2140 0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 -3.8560 4.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 -2.2070 4.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1200 -2.2130 1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4430 -3.8600 1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9830 -2.9840 0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4040 -3.3600 0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6740 -4.2560 4.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2510 -3.8940 4.9340 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 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 M END