KEYORGANICS-ZINC01391957 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 -0.0310 1.5190 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0110 0.0040 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7450 -0.5160 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 0.1800 2.7320 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 1.5810 2.8010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 -0.3620 2.9270 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 -0.4800 4.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 0.2020 4.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7870 -0.3150 5.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 -1.5150 6.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 -2.1970 5.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -1.6760 4.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4410 -2.2240 7.5740 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 -0.4880 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8910 -0.7530 -1.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -0.6220 -2.3930 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 -0.9720 -3.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -1.8440 -3.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 -2.1880 -4.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0360 -1.6640 -5.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 -0.7950 -5.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 -0.4520 -4.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7630 -2.0410 -7.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1700 -3.1790 -7.7120 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6900 -0.9830 -8.0680 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1030 -2.3110 -6.8600 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 -0.5150 0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9890 1.9040 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 1.8790 -0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 1.8650 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -1.6040 1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7890 -0.2050 1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 1.1380 4.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6550 0.2170 5.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -3.1340 6.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 -2.2070 4.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -0.4750 -2.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -2.2530 -2.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2840 -2.8660 -4.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 -0.3870 -6.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 0.2230 -4.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 -1.4800 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 14 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 37 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 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 27 42 1 0 0 0 0 M END