IFLAB-ZINC05143722 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 39 0 0 0 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 1.2270 -0.5490 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4380 0.7270 -0.0170 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 1.9600 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -1.9210 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7590 -2.4950 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5650 -3.8890 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6870 -4.7190 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8960 -4.1560 -0.0650 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0350 -2.8400 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9910 -2.0180 -0.0470 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 -2.2640 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5140 -3.1040 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7820 -2.5640 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9520 -1.1860 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8460 -0.3470 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -0.8800 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2040 -0.6580 -0.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5380 -6.1920 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 -6.6910 -0.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6310 -6.9800 -0.0750 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -4.1040 -0.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -4.9700 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -2.9070 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 -2.7410 0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 1.9480 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -0.5990 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 3.0250 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3820 -4.1760 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6440 -3.2140 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9820 0.7250 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7150 -0.2270 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5580 -0.5010 -0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5160 -6.5820 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5340 -7.9450 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 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 6 1 0 0 0 0 4 5 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 M END