IBS-ZINC01611597 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 0 0 1 0 0 0 0 0999 V2000 0.0030 1.5020 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 0.0510 -0.0900 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -0.6810 1.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -0.2460 2.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -2.1710 0.7220 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0580 -2.6020 1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -2.0880 -0.7160 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -0.7870 -1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -0.4190 -2.7900 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 -2.9220 1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0970 -4.3940 0.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 -5.1550 1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 -6.5370 0.8130 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2720 -7.4540 1.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1610 -8.6870 0.5070 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3760 -8.9450 -0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8680 -9.3950 0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 1.8780 -0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8970 1.8150 -0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 1.9150 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 -2.8750 -1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 -2.8560 2.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0270 -2.4450 0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -4.4740 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 -4.8800 1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3080 -5.1890 2.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2340 -4.6710 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5260 -6.8340 0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3470 -7.1810 1.8180 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4670 -6.2690 2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0620 -7.8750 1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 8 9 2 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 M CHG 1 15 1 M END