IBS-ZINC00678988 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 -0.0220 1.5300 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 0.0000 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 -0.5030 1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4360 -0.5300 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 -1.9540 -0.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6220 -2.5870 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7940 -1.8510 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0200 -2.4900 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0870 -3.8630 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9140 -4.6120 -0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6770 -3.9650 -0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9820 -6.0830 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9600 -6.7330 -0.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1780 -6.7050 -0.3840 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2400 -8.0460 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 -8.9620 -0.6310 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.4360 -8.6680 -0.4990 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5070 -10.0420 -0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7480 -10.6590 -0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8040 -12.0230 -1.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6120 -12.7270 -1.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4140 -12.0490 -1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3920 -10.7460 -0.8330 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6270 -14.5930 -1.4610 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 1.9070 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 1.8880 -0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 1.8840 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 -0.3540 -0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -1.5930 1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 -0.1250 1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -0.1490 2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9180 -0.2510 0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 -0.1010 -0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7480 -0.7760 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9280 -1.9120 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0470 -4.3590 -0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7670 -4.5390 -0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9940 -6.1860 -0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2480 -8.1590 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6560 -10.0800 -0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7540 -12.5290 -1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4840 -12.5920 -1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 M END