CHEMSTAR-ZINC04544016 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 0 0 0 0 0 0999 V2000 1.5290 1.5650 1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6620 0.1220 1.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -0.6130 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4070 -0.0630 0.6510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -2.0860 1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 -2.8500 0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 -4.2240 0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 -4.8520 1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8810 -4.0950 1.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8280 -2.7200 1.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8460 -6.2440 1.2570 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 -6.9820 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 -6.4370 -0.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 -8.4830 0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 -9.0730 -0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 -10.5980 -0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 -11.1790 -1.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 -10.4480 -2.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 -12.5080 -1.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 -12.9970 -2.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4610 -14.5010 -2.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 -15.1010 -1.9950 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1890 -15.2400 -3.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2620 -16.6360 -3.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9460 -17.3230 -4.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5600 -16.6330 -5.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4910 -15.2490 -5.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8160 -14.5500 -4.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2280 -17.3120 -6.8630 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 1.8900 1.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4520 2.0350 1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 1.8540 0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 -2.3630 0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -4.8150 0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -4.5860 1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6800 -2.1330 1.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 -6.6820 1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 -8.8730 0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3140 -8.7600 1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6530 -8.6840 -0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 -8.7970 -1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -10.9870 -0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 -10.8740 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3900 -12.5800 -2.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8980 -12.6930 -3.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7840 -17.1750 -3.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0030 -18.4010 -4.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9720 -14.7180 -6.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7670 -13.4720 -5.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 11 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 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 M END