IBS-ZINC05188558 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 -2.1950 0.3990 -0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 0.0590 -0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -0.0080 0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -0.4100 -0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8240 -0.6500 -0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -1.0410 -1.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0470 -1.1900 -2.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6810 -0.9580 -3.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9110 -0.5710 -1.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 -0.2830 -1.8410 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0640 -0.3210 -2.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9370 -1.2410 -1.2430 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7980 -1.6570 -2.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 0.2640 1.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 0.0810 2.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 0.7920 2.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6950 0.0600 4.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 0.2260 6.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3030 1.6370 6.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 2.6520 5.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 2.5190 4.3900 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3690 2.6940 4.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 3.5500 3.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8730 3.4980 3.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 4.3740 2.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1320 5.2880 2.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2790 1.4380 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8340 0.2850 -1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5940 -0.2580 0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2820 -0.5350 0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6390 -1.4900 -3.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 -1.0790 -4.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 -0.8980 -3.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8020 -1.7790 -1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4860 -2.6250 -2.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 1.7120 2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 0.0350 2.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 -0.9330 4.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7810 0.2040 4.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 -0.4940 6.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 -0.0010 6.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 1.8310 6.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 1.7440 7.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 3.6630 6.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 2.5170 5.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 3.5000 2.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 4.5550 3.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 3.8090 4.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 2.4980 3.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 1.0820 3.9140 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8990 0.8700 3.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 50 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 50 1 M END