NCID-ZINC05580084 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 42 0 0 0 0 0 0 0 0999 V2000 -0.5340 1.8240 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9710 0.4980 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -0.5070 -0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 -0.2190 -0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7360 1.1110 -0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8340 2.1730 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 3.5030 0.1260 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9490 4.1950 -0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2600 4.8000 -0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1980 5.6180 -1.9580 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 4.2520 1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 3.8230 2.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 4.8980 4.0830 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 1.3440 -0.1670 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7820 1.2910 -1.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6470 1.5460 0.9530 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4320 -1.8780 -0.6290 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1100 -2.7550 0.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 -2.0740 -1.5600 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.4020 0.1810 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6980 -0.7280 0.7800 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2890 0.9580 -0.6960 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7290 0.7770 -0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4610 1.4290 -1.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9810 1.2770 -1.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4560 0.7990 -0.6010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2730 2.6040 0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 -1.0060 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1310 3.5210 -1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3030 4.9890 -1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1060 5.5970 0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9410 4.0600 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 5.3260 1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 4.1330 1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3890 2.7800 2.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6510 3.9740 2.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9550 1.6820 -1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9440 -0.2970 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0280 1.2190 0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2300 2.5010 -1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1120 0.9970 -2.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5870 1.6700 -2.7060 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M CHG 1 17 1 M CHG 1 19 -1 M CHG 1 42 -1 M END