IFLAB-ZINC04134629 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 36 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3860 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 1.2010 -0.6770 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 0.0350 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 1.4380 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 2.0990 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6160 1.9660 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6260 1.1640 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0770 -0.5060 -0.0390 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0420 1.5890 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3210 2.7720 -0.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0220 0.6640 -0.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3520 1.0630 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3730 0.2650 -0.0860 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5750 0.8240 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5840 2.1710 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9130 2.7320 -0.0770 S 0 0 0 0 0 0 0 0 0 0 0 0 11.8220 0.0240 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7500 -1.3690 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9220 -2.1020 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1310 -1.4190 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1300 -0.0380 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9980 0.6380 -0.1240 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 1.9060 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 -1.7570 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 3.1780 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7990 -0.2800 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4620 2.7980 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7920 -1.8680 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8980 -3.1820 -0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0640 -1.9630 -0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0690 0.4960 -0.1400 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 30 1 0 0 0 0 20 21 1 0 0 0 0 20 31 1 0 0 0 0 21 22 2 0 0 0 0 21 32 1 0 0 0 0 22 23 1 0 0 0 0 22 33 1 0 0 0 0 M END