NCID-ZINC05732877 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 -1.5450 1.9470 0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 0.7590 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 0.8760 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3110 -0.4570 0.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 -1.5700 -0.3510 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5620 -1.3810 -1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6760 -1.7610 -0.9640 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6020 -2.3380 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7730 -2.0240 0.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1280 -3.2020 0.9930 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8180 -3.4960 1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 -4.4330 1.7360 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9050 -2.7780 0.3810 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 -3.2120 0.3780 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5550 -4.2940 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -2.7750 1.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 -2.3910 1.2320 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3620 -3.0270 1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6150 -2.6420 -0.2920 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0030 -3.6360 -0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -2.5490 -0.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4420 -1.5750 -1.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5190 -1.8900 -2.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8900 -0.9800 1.5220 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9510 -0.6260 2.5870 N 0 3 0 0 0 0 0 0 0 0 0 0 3.0110 -0.2720 3.6520 N 0 5 0 0 0 0 0 0 0 0 0 0 -3.2160 -0.4100 -1.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5560 -2.9920 -2.4920 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.1710 2.8750 0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6150 1.8640 0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3640 1.9490 1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 0.7560 -1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 0.9500 1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -0.0060 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 1.7670 -0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 -3.6180 1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 -1.9140 2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 -3.6000 2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9690 -0.6020 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4470 -1.5480 -0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0300 -1.2550 -2.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5440 0.0090 -2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2060 -0.5470 -1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2850 0.2710 -0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 24 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 25 26 2 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 M CHG 1 25 1 M CHG 1 26 -1 M END