IFLAB-ZINC04553832 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9340 -0.8320 -0.0390 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8490 0.0740 0.5610 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6410 -2.0850 0.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3120 -1.0450 -1.8010 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5180 -1.6210 -2.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6410 -1.7880 -1.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5400 -3.1020 -1.3100 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 -4.2660 -1.6250 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3220 -5.3950 -0.8380 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8150 -4.3180 -3.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2130 -3.6800 -0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6690 -3.8940 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9060 -3.3360 0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4550 -2.6680 -0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3840 -2.7300 -1.9000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4160 0.3060 -2.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6530 0.7310 -3.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9310 2.0130 -3.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9200 2.6290 -3.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5560 1.5680 -2.0110 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1650 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8680 -1.9160 -3.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4350 -1.2120 -1.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8090 -3.2900 -0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1150 -4.4600 0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3910 -3.4320 1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4120 -2.1680 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8770 0.1200 -3.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3890 2.4780 -4.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2730 3.6280 -3.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 M END