NIH-ZINC01001629 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 0 0 0 0 0 0999 V2000 -0.4870 1.8080 -0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 0.0120 -0.1470 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 -0.3140 0.9700 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4920 -0.6610 -0.3760 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 -0.3770 -1.4600 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 -0.3770 -1.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6930 0.4620 -2.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1470 -0.0350 -3.7970 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 0.1210 -3.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -0.7380 -2.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7560 0.5980 -4.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 0.2670 -6.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9790 0.8920 -7.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9610 1.8500 -7.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3390 2.1810 -5.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7340 1.5600 -4.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5700 2.4830 -8.1330 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8640 2.8530 -8.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5300 2.5520 -7.0870 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4700 3.6180 -9.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7640 4.0530 -9.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9100 4.7370 -10.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7120 4.6900 -11.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 4.0090 -10.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3240 5.4510 -12.7400 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 2.2990 -0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 2.0490 -1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0960 2.1550 0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 0.0570 -0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5080 -1.3990 -1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 1.5050 -2.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7800 0.3830 -2.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 1.1680 -3.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 -0.2050 -4.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -1.7940 -2.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 -0.5430 -2.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 -0.4790 -6.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 0.6340 -8.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1020 2.9260 -5.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 1.8200 -3.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0610 2.6560 -8.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5270 3.9020 -8.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8080 5.2120 -10.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 M END