IBS-ZINC05490098 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 0.1680 1.5800 -0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 0.2200 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -0.5190 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 0.1230 -0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5430 1.4880 -0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 2.2150 -0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3970 3.6730 -0.7500 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3610 4.3140 -0.7350 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 4.2320 -0.9740 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8380 -0.6220 -0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5790 -2.1210 -0.4760 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2540 -2.3180 -1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4780 -2.5340 0.5070 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7760 -2.1670 1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 -1.8910 0.1900 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -2.2690 0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 -3.6660 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -4.7050 1.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6240 -4.4630 1.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 -4.0530 0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8390 -2.8940 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5790 -2.5320 0.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 2.1460 -0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7970 -0.2740 0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4800 1.9880 -0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4510 -0.2590 -1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3620 -0.4560 0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 -2.2780 2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 -1.5460 0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4960 -3.7050 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 -3.8730 -0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 -4.7020 2.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -5.6870 1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 -3.6680 2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0510 -5.3780 2.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 -4.4470 -0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4160 -4.4600 0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1400 -3.9840 -0.9070 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9590 -4.4470 -0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 38 39 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END