IBS-ZINC05452513 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 0.7060 1.5630 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8510 0.0400 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 -0.4640 -1.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7930 -1.8100 -1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -2.3670 -2.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 -3.7330 -2.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9990 -4.5510 -1.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 -3.9940 -0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 -2.6260 -0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 -5.9370 -1.8340 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 -6.7690 -0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -6.3210 0.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8940 -8.2240 -0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5370 -8.7400 -2.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 -10.0950 -2.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3030 -10.9610 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6600 -10.4510 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 -9.0840 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 -11.3050 0.9030 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2260 -10.9420 1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -12.6350 0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -13.3840 1.6710 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 -13.1770 -0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 -14.3710 -0.5320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 -12.3270 -1.3750 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9610 -12.6700 -2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 1.9950 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 1.8310 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 1.9480 1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -0.2280 0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -0.3920 0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 -1.7310 -3.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 -4.1660 -3.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3330 -4.6290 0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 -2.1920 0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -6.2990 -2.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -8.0740 -2.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2350 -10.4900 -3.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -8.6880 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 M END