IBS-ZINC04087576 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -0.8470 2.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -1.3120 3.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 -1.6160 4.4810 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0950 -1.4270 3.4760 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8290 -1.1020 2.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1890 -0.6370 1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9460 -0.3050 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3040 -0.4390 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9420 -0.9040 1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2100 -1.2270 2.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9100 -1.7290 3.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2930 -1.0330 1.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9910 -0.6730 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4700 -0.8800 0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8860 -1.2940 1.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3310 -0.6040 -0.7050 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7690 -0.8050 -0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5160 -0.4200 -1.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9960 -0.6270 -1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8880 0.3030 -1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1360 -0.2530 -1.1320 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9420 0.2230 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0760 -1.5870 -1.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7320 -1.8820 -1.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3670 -3.1780 -2.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3190 -4.1560 -2.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6450 -3.8720 -1.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0280 -2.5970 -1.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 -0.7640 2.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 0.0560 -0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8870 -0.1840 -0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9950 -2.8150 3.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9050 -1.2890 3.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3360 -1.4470 4.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6460 -1.2970 -0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7990 0.3740 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9990 -0.2730 -1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1140 -0.1810 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9620 -1.8530 -0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1710 -1.0440 -2.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3240 0.6270 -2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6550 1.3360 -0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3360 -3.4060 -2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0360 -5.1590 -2.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3860 -4.6550 -1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0630 -2.3860 -1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 2 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 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 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 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 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 30 2 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 M END