IBS-ZINC05186590 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 0.2900 1.2810 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -0.2270 -0.0100 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5180 -0.7330 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 -0.7280 1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -1.1800 2.1440 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -0.6720 1.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5610 -1.1710 2.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -0.4990 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9650 -0.6070 -1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 -0.3410 -2.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8830 -0.4470 -3.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2250 -0.8220 -3.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9450 -1.0930 -2.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2960 -0.9860 -1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2140 -1.4330 -2.7710 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4270 -1.4160 -4.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5920 -1.7080 -4.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7760 -2.0870 -3.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0050 -1.4550 -4.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1110 -1.8180 -3.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0100 -2.8020 -2.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8000 -3.4320 -2.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6840 -3.0870 -2.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1690 -3.8830 -2.6870 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -9.1350 -0.2180 -5.3970 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.1640 -1.0230 -4.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9450 -0.8920 -5.9440 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 1.4880 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 1.6430 -1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 1.7860 0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 -0.5990 3.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2970 -2.2220 2.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6460 -1.0680 2.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 -0.0500 -2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3360 -0.2400 -4.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8310 -1.1940 -0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6500 -1.6620 -5.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0600 -1.3320 -3.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8800 -3.0810 -1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7300 -4.2000 -1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 26 27 2 0 0 0 0 M END