IBS-ZINC00549982 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 30 0 0 1 0 0 0 0 0999 V2000 -1.0590 1.8240 -0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8120 0.3170 -0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 -0.3740 -0.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 -1.7120 -0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9790 -2.2880 -0.3350 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3190 -2.4970 -0.1520 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8340 -2.1870 0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2200 -2.2360 -1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9990 -3.9680 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2390 -4.6590 1.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9430 -5.9930 1.1190 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1150 -6.4900 1.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4150 -6.6230 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 -8.2940 0.1550 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1660 -5.9590 -1.0900 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 -6.4290 -1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4490 -4.6440 -1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2290 -4.0430 -2.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8300 -3.9640 2.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 2.3420 -0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 2.0400 -1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5590 2.1640 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 -0.0230 -1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1850 0.1010 0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7050 -2.5470 -2.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1440 -2.8040 -1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4510 -1.1730 -1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9150 -3.9340 2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5590 -4.5080 3.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4420 -2.9470 2.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 19 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 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 M END