IBS-ZINC04090592 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 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 3 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 0.7420 -0.5110 1.2420 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2850 -0.0870 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1880 -0.0920 1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0600 -0.9290 1.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -1.9720 1.2960 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 -2.6100 2.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 -1.9740 3.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 -4.1140 2.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 -4.5790 3.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 -6.0410 4.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8160 -6.8640 3.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9720 -6.5450 3.7540 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 -8.2700 4.0680 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6790 -8.7860 4.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 -9.0500 2.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -10.1870 2.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8850 -11.2440 1.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -12.3190 1.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 -12.3520 2.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5480 -11.3100 3.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 -10.2310 3.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 -9.1450 4.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 -8.0430 4.1920 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 -6.7240 4.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 -6.2020 4.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -0.4650 -1.1740 O 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 0.5260 -2.4820 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -4.4370 2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -4.5460 1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8030 -4.2560 4.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -4.1470 4.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 -8.3770 1.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5120 -9.4490 2.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 -11.2200 1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 -13.1330 0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 -13.1900 2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5050 -11.3340 3.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 -8.7880 3.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 -9.5390 5.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 -0.1670 -1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 1.2100 1.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4480 1.4300 1.0660 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 4 1 0 0 0 0 2 29 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 47 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 26 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 29 46 1 0 0 0 0 47 48 1 0 0 0 0 M END