IBS-ZINC04791166 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 54 0 0 1 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 0.6650 -0.4830 1.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -1.3030 1.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -1.7030 0.8050 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9400 -2.5540 0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 -0.5050 -0.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6700 -2.0010 1.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5540 -2.4770 0.4020 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8670 -2.7870 0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7220 -3.2850 -0.2950 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.7100 -2.5450 -1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1600 -3.4980 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9790 -3.9740 -0.9370 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.2890 -4.2320 -0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9960 -4.0020 0.7910 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.0420 -4.6700 -1.7790 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.3520 -4.9280 -1.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8540 -4.7640 -0.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1770 -5.4070 -2.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5350 -5.6750 -2.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3010 -6.1220 -3.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7250 -6.3070 -4.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3750 -6.0420 -5.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6030 -5.5900 -3.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4840 -6.7480 -5.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.8280 -6.9160 -7.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1930 -4.5200 -0.7810 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -0.5010 -1.2420 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 0.2130 -2.1860 2.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7630 -0.7300 2.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5630 -2.7620 2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 -1.0910 1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8060 -3.5640 1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3200 -1.8930 1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1720 -4.2380 0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5640 -2.5560 0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5790 -4.1040 -1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6420 -4.8000 -2.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9830 -5.5310 -1.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3510 -6.3290 -3.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9310 -6.1870 -6.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5540 -5.3800 -4.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0230 -7.6440 -7.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5470 -7.2730 -7.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4160 -5.9620 -7.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1730 -5.2260 -0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7600 -0.1150 -1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -1.5910 -1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 -0.1520 -2.1360 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 2 7 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 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 17 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 M END