CHEMDIV-ZINC06948668 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 0 0 0 0 0 0999 V2000 0.0180 1.2810 1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -0.1890 0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 -0.6850 0.5980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -2.0070 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 -2.7420 0.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7020 -2.4500 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8810 -1.6840 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9800 -2.4780 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5010 -3.7360 -0.2470 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1170 -3.7200 -0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2930 -4.9040 -0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3340 -4.9140 -0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6690 -5.1300 -1.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2270 -4.3950 -2.8340 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5060 -6.2070 -2.2500 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9160 -6.4220 -3.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6330 -7.8550 -4.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7870 -8.6200 -1.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0540 -7.1700 -1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0720 -10.2640 -3.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3920 -2.1140 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1400 -2.0150 -1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4900 -1.6700 -1.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0840 -1.4200 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3540 -1.5000 1.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0040 -1.8460 1.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3810 -1.0920 0.2690 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 1.7070 1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5080 1.8420 0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.4210 2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 -0.3110 -0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 -0.7390 1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9230 -0.6420 0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -5.4310 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8440 -5.6110 -1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -4.5990 -1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7960 -5.7810 -0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2540 -4.7980 0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9920 -6.2160 -3.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4210 -5.7200 -4.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0630 -8.0390 -5.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5580 -8.0670 -4.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7150 -8.8470 -1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3250 -9.3230 -1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6490 -7.0150 -0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1340 -6.9860 -1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0010 -10.4820 -3.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4950 -10.3690 -4.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6040 -10.9150 -2.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6690 -2.1930 -2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0740 -1.5850 -1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8370 -1.2910 2.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4320 -1.9090 2.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2730 -8.8430 -3.1390 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.2880 -8.6690 -3.1510 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 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 54 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 54 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 54 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END