IBS-ZINC00646702 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 0.2720 1.4580 -0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -0.0670 -0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 -0.5420 0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 -0.4760 -0.1160 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 -1.8820 -0.7920 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1070 -2.0120 -0.3930 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 -1.8630 -2.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -3.2090 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 -3.8000 1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 -4.8390 1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 -5.2920 1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 -4.6970 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 -3.6600 -0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -6.3440 1.7800 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -7.3300 2.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 -7.3560 2.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 -8.3790 3.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5410 -9.4080 3.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -10.3660 4.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -10.2770 4.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2810 -9.2950 3.8660 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6300 -8.3640 3.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 -11.7820 5.3640 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 1.7620 -0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3290 1.7960 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 1.9010 0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 -0.5110 -1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -0.0980 1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 -1.6280 0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0790 -0.2380 0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 0.0760 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3130 -3.4470 1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 -5.3000 2.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9270 -5.0460 -0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -3.2000 -1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 -6.3650 1.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 -9.4530 3.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2280 -11.0230 5.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1790 -7.5790 2.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 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 22 2 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 22 39 1 0 0 0 0 M END