IBS-ZINC04736997 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 54 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 0.0760 -4.6480 1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 -4.7690 -0.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -6.2790 -0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 -6.9710 -0.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -8.4820 -0.9060 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6230 -8.8560 -0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 -9.0230 -0.5840 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -8.2710 -0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5460 -9.0530 -0.2360 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0980 -10.3010 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 -10.3250 -0.2660 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9470 -11.4910 0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 -6.9100 -0.8070 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -8.9200 -2.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -9.6820 -2.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 -10.0850 -3.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 -9.7230 -4.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -8.9590 -4.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 -8.5540 -3.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 -8.6060 -5.7120 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8930 -10.8300 -3.9420 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0980 -6.3040 -0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1230 -6.9540 -0.8760 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 -4.8050 -0.7450 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 1.2920 -4.3770 -1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1970 -4.4210 -0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9930 -11.5840 1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5090 -12.3940 -0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9540 -11.3550 -0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 -6.4180 -0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 -9.9640 -1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2830 -10.0370 -5.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 -7.9540 -3.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 -4.5200 -0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -4.3880 -1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 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 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 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 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 32 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 48 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 49 1 0 0 0 0 32 50 1 0 0 0 0 M END