IFLAB-ZINC04517768 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 0 0 0 0 0 0 0 0999 V2000 -0.0220 1.8100 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 -0.4970 1.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -0.5200 -0.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -0.4240 -1.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0650 -1.0690 -1.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7300 -1.4000 -2.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 -1.0870 -3.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9610 -0.4420 -3.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 -0.1100 -2.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 0.5760 -2.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 0.8680 -1.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 0.8770 -3.9860 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7960 1.5220 -4.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4040 1.8560 -5.1440 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5690 2.4650 -5.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9640 2.6530 -3.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7300 1.9830 -2.6940 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.1870 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1710 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1610 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 -1.3160 -0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6830 -1.9050 -2.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 -1.3480 -4.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 -0.1980 -4.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 0.6440 -4.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1550 2.7840 -5.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8810 3.1290 -3.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 8 9 2 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 M END