IFLAB-ZINC05253487 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 -0.1320 -1.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 0.5700 -0.6280 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 -0.5670 -2.5360 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9290 -0.2110 -2.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6540 0.5290 -1.9900 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9450 0.7550 -2.4140 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 0.1970 -3.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -0.7020 -4.1590 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8460 0.3140 -4.3200 S 0 0 0 0 0 0 0 0 0 0 0 0 8.7910 1.3570 -3.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1860 1.5540 -3.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5090 1.0430 -4.7580 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0690 2.2970 -3.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3940 2.4440 -3.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2410 3.3040 -2.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9940 2.7220 -1.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7710 3.5110 -0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7960 4.8820 -1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0430 5.4640 -2.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2700 4.6740 -2.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.6240 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 -1.0370 -1.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1320 -1.1280 -3.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 2.3250 -3.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8410 0.8730 -2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8550 1.4620 -3.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3140 2.9140 -4.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9750 1.6510 -1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3590 3.0570 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4020 5.4990 -0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0620 6.5350 -2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6850 5.1290 -3.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 M END