IBS-ZINC04813050 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 41 0 0 0 0 0 0 0 0999 V2000 -0.1330 0.8470 0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 1.1860 2.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 3.0840 1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7510 3.4950 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8700 5.0180 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6800 5.4040 -1.0920 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0230 6.6920 -1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7560 7.1090 -2.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3040 6.1340 -3.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1490 4.9190 -3.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0190 6.6930 -4.4630 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2790 8.0230 -4.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1930 8.3670 -6.0690 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7540 8.9320 -3.7770 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9870 8.5600 -2.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5190 9.3680 -1.8550 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9730 10.3810 -3.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2470 10.7660 -3.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2980 11.5010 -2.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1530 -0.2220 0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8950 1.2180 0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 1.0230 -0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 1.5180 2.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 0.0990 2.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 1.6660 3.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 3.4150 1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 3.5040 2.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3270 3.1220 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 3.0530 0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3230 5.4040 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 5.4640 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0490 4.6810 -1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6120 7.4180 -0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4010 6.0320 -5.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1190 10.9330 -3.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0360 10.6640 -4.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1810 10.4450 -3.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3960 11.8500 -1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2510 11.7600 -1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 1.5760 1.4820 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8400 1.2530 1.4610 H 0 0 0 0 0 0 0 0 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 1 40 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 40 1 M END