IFLAB-ZINC04941971 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 -0.0090 1.3800 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 0.0000 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 -0.6820 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 0.0250 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 1.4060 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 2.0870 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 3.4880 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 4.1440 0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 3.5240 1.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 5.6050 0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 6.3910 0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 7.7170 0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 7.6850 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 6.4100 -0.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 9.1900 -0.6750 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -2.0810 -0.0410 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 -2.8200 -0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8410 -3.7520 0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7730 -4.8190 0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -4.1760 1.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 -2.9580 0.3770 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9710 -2.0220 1.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 -3.5920 -0.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 1.9100 -0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 -0.5500 -0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3230 -0.5050 0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2930 1.9550 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9100 3.9850 -0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8830 6.0560 1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 8.5990 0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 -3.4080 -1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2450 -2.1160 -0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7850 -4.2370 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9680 -3.1690 1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 -5.2860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1580 -5.5760 1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 -4.9430 1.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -3.6780 2.4900 H 0 0 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 7 8 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 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 M END