IBS-ZINC02238985 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 0 0 0 0 0 0999 V2000 0.2450 1.1070 0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 -0.3830 0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 -1.2520 1.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 -2.6160 1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 -3.0440 0.1460 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 -2.1870 -0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 -0.8780 -0.6630 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -2.6700 -2.1600 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -4.2480 -2.4410 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3300 -4.4210 -3.8520 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 -5.0340 -1.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0140 -4.4460 -1.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 -4.2300 -2.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3540 -4.3840 -2.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6420 -4.7570 -1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6070 -4.9740 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2960 -4.8230 -0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9700 -4.9140 -0.7120 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8940 -5.3670 -1.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5560 -5.7310 -2.6920 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3160 -5.4230 -1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3890 -5.8720 -1.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5050 -5.7400 -1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0910 -5.2380 -0.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.6720 -5.0420 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8180 -5.0680 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.8930 -6.0790 -1.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3580 -5.7850 -2.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6540 -6.1030 -3.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4950 -6.7110 -2.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0460 -7.0070 -1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7450 -6.7000 -0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3000 -6.9950 0.5780 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 1.4430 0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 1.6090 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 1.3480 1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -0.8760 2.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 -3.3200 2.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 -2.0840 -2.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8180 -3.9400 -3.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1570 -4.2150 -3.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8270 -5.2640 0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 -4.9960 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2270 -4.6960 0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3400 -6.2400 -3.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7040 -5.3100 -3.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0130 -5.8750 -4.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5080 -6.9560 -2.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7070 -7.4820 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4420 -6.2880 1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 21 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 45 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 46 1 0 0 0 0 29 30 1 0 0 0 0 29 47 1 0 0 0 0 30 31 2 0 0 0 0 30 48 1 0 0 0 0 31 32 1 0 0 0 0 31 49 1 0 0 0 0 32 33 1 0 0 0 0 33 50 1 0 0 0 0 M END