CHEMBRIDGE-ZINC04866914 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.0500 1.5130 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 0.0070 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 -0.6950 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -2.0820 1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -2.7660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1880 -2.0380 -1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -0.6630 -1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 0.1200 -2.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 -4.0910 0.2830 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -4.2670 1.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 -3.0520 2.2040 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 -2.9010 3.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -5.5750 2.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -6.7250 1.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 -8.0150 2.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 -9.1820 1.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 -10.3910 2.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 -10.4560 3.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 -9.3020 4.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 -8.0880 3.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -9.4010 5.7950 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 -11.6520 4.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -12.7970 3.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 -5.6390 3.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2270 -5.6900 4.8150 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 1.9120 0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 1.8720 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 1.8450 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 -0.1670 2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 -2.5530 -2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2570 0.3450 -2.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -0.4680 -3.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 1.0510 -2.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -6.6840 0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 -9.1330 0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 -11.2900 1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2570 -7.1930 3.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 -13.6840 4.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 -12.6620 3.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -12.9200 2.5060 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 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 37 1 0 0 0 0 22 23 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 3 0 0 0 0 M END