IFLAB-ZINC04504644 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3800 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 1.2050 -0.6860 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 0.0120 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 1.4080 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 2.0890 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6560 2.1620 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7160 1.5660 -0.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6410 3.5090 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9010 4.2560 -0.0200 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6540 3.7100 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6840 5.6440 0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9410 6.4860 0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2530 6.0520 -1.4820 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6440 5.8360 -1.6740 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5550 6.9600 -2.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3840 4.4440 -1.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2190 -1.0220 -0.0420 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9060 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -0.5540 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -1.7660 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.1690 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7960 3.9850 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7960 6.1120 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 5.5520 1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7340 7.5500 0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7830 6.1920 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0700 3.6430 -1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5340 4.4680 -2.1530 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 19 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 4 5 2 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 22 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 23 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 13 27 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 28 1 0 0 0 0 17 29 1 0 0 0 0 M END