IBS-ZINC02396917 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 0.6700 1.3180 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -0.1260 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -0.7970 1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 -2.1330 1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5770 -2.8090 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 -2.1560 -1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -0.8050 -1.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -0.1350 -2.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 -0.4320 -3.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 0.6100 -4.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 1.4750 -4.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 1.0360 -2.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 2.6370 -4.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4310 3.0890 -3.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2210 2.4810 -2.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1590 1.3110 -2.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1150 3.4000 -2.2430 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2670 4.5730 -2.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0550 5.4780 -2.7170 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1460 4.6080 -4.2870 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.9030 3.0670 -1.0460 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4580 2.1820 -0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9000 4.1860 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3000 2.6380 -1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5560 2.1770 -2.6040 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2070 2.7650 -0.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5320 2.3450 -0.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 -2.8160 2.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 -2.1790 3.4430 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4260 1.5400 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 1.9720 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 1.5560 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 -0.2660 1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 -3.8460 -0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 -2.6990 -2.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 -1.3010 -4.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 0.6950 -5.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 3.1930 -5.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8850 4.5560 0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5270 5.0320 -0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2930 3.8240 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9240 2.9390 -1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5440 1.2790 -1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1690 2.5090 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 -3.9780 2.3090 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 28 29 1 0 0 0 0 28 45 2 0 0 0 0 M CHG 1 29 -1 M END