IBS-ZINC04957052 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 0.0050 1.4910 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 0.0630 0.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 -0.5670 1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 0.1740 2.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -0.4680 3.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8440 -1.8490 3.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3030 -2.5900 2.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -1.9520 1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -4.0950 2.2160 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1060 -4.5050 1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -4.6350 3.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -5.3070 4.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 -5.2350 3.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5710 -5.7410 4.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7270 -4.5270 2.5890 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 -4.2380 1.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5630 -2.9280 2.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8300 -2.6310 1.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7800 -1.8870 0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9420 -1.6150 -0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1550 -2.0860 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2050 -2.8290 1.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0440 -3.0980 2.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 -5.9420 5.2740 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 -4.4640 3.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 -3.8190 4.2470 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 -5.0770 2.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2390 -4.8220 2.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0370 -5.3960 1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4800 -6.2250 0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 -6.4820 0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 -5.9100 1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 1.8750 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 1.8650 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 1.8220 0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 1.2530 2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2030 0.1090 3.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3170 -2.3500 4.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 -2.5320 0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6720 -5.0500 2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1460 0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8510 -2.1170 2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7900 -3.0200 3.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8320 -1.5190 0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9020 -1.0340 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0630 -1.8740 -0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1530 -3.1970 1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0840 -3.6750 2.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 -6.3690 5.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6750 -4.1760 3.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0990 -5.2000 1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1100 -6.6730 -0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6920 -7.1300 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 -6.1080 1.3360 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 2 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 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 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 30 52 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 32 54 1 0 0 0 0 M END