IBS-ZINC05178517 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2750 -0.0220 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4270 -4.6410 0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 -4.8090 -0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 -4.2480 -1.5900 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1030 -3.1840 -1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 -4.4430 -2.6330 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 -4.6790 -2.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 -4.8060 -3.5420 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 -4.6570 -4.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 -4.4320 -4.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 -4.7280 -5.9000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8710 -5.3760 -6.4070 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 -5.3370 -7.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8870 -4.7590 -5.6280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8640 -6.9770 -5.9830 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 -7.9790 -6.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 -7.3920 -4.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 -4.7520 -1.1040 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1630 -4.9720 -1.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3450 -4.2700 -2.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5070 -4.9340 -2.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4870 -6.3020 -2.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3050 -7.0040 -2.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1420 -6.3390 -2.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 -5.8970 -0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0060 -4.5020 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 -4.3980 -6.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 -8.3400 -7.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 -8.8120 -6.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 -7.5280 -7.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7340 -6.5150 -4.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 -7.8860 -4.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2180 -8.0820 -4.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 -5.0970 -0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3600 -3.2020 -1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4300 -4.3860 -2.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3950 -6.8210 -2.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2890 -8.0720 -2.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2170 -6.8870 -2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 30 2 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 M END