IBS-ZINC05024768 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 36 0 0 1 0 0 0 0 0999 V2000 0.1030 1.8320 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 0.3250 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 -0.3630 1.1790 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0650 -0.0980 2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -1.8910 1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 -2.6390 2.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 -4.1420 2.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 -4.6750 1.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 -4.7830 3.3330 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -6.1690 3.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 -7.1440 2.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 -8.5040 3.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 -8.9040 4.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 -7.9340 5.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6800 -6.5860 4.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -9.5260 2.0020 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5090 -9.1480 0.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 -10.7100 2.3700 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1770 0.0680 1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0060 0.1440 0.6090 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 2.3100 0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 2.2730 -0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 2.0720 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 -0.0850 -0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 0.1200 -0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 -2.2030 0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 -2.1900 0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 -2.4670 2.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 -2.2750 3.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 -4.1950 4.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 -6.8620 1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 -9.9540 4.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 -8.2220 6.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9300 -5.6750 5.8930 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 0.2760 2.7930 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1620 -5.0770 5.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 19 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 34 36 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M CHG 1 35 -1 M END