IBS-ZINC05343159 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 64 0 0 0 0 0 0 0 0999 V2000 0.9320 1.4800 -0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 0.1810 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 -0.5070 1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0640 -0.9820 1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5970 -1.7110 2.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 -1.9960 3.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4930 -1.5430 3.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 -0.7890 2.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 -0.3490 2.5440 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6460 1.0370 2.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 1.9050 2.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0370 1.4760 2.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2690 2.8220 3.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5440 3.2460 3.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5840 2.3250 3.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3540 0.9870 3.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0870 0.5540 2.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7960 -0.8300 2.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6370 -1.6900 1.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9170 -1.5140 1.4020 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7530 -2.5650 0.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1970 -2.0770 0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0960 -3.1770 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4810 -3.9480 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9340 -3.4800 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1940 -2.4960 -0.9160 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3790 -1.3350 -0.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8940 -1.6850 -0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3990 -1.3450 2.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 -2.5460 2.7800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 1.3040 -0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 1.9550 -1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 2.1880 0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 0.3830 0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 -0.5140 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6910 -0.8020 0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6220 -2.0690 2.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2150 -2.5720 4.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 -1.7740 4.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4530 3.5420 3.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7170 4.2880 3.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5710 2.6460 3.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1770 0.2850 3.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2910 -2.7000 1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2840 -0.5680 1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3720 -2.8590 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7140 -3.4460 1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5580 -1.7590 1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2240 -1.1930 0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8410 -3.4400 -0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0210 -4.0730 0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2630 -4.6550 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2420 -4.3930 -0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6020 -4.3270 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1830 -3.0690 1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6420 -0.6180 -1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6150 -0.8730 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6490 -2.1100 -1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2780 -0.8050 -0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5510 -2.7490 0.2060 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.7410 -2.3540 1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 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 39 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 29 1 0 0 0 0 19 20 1 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 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 60 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 24 60 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 30 2 0 0 0 0 60 61 1 0 0 0 0 M CHG 1 60 1 M END