IFLAB-ZINC05143724 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 40 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 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8960 -4.1560 -0.0660 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0350 -2.8400 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9910 -2.0180 -0.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 -2.2640 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5740 -0.8800 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8460 -0.3440 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9530 -1.1790 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7850 -2.5620 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5130 -3.1040 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8730 -3.3790 -0.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2040 -0.6470 -0.0990 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5380 -6.1920 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 -6.6910 -0.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6310 -6.9800 -0.0770 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -4.1040 -0.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -4.9700 -0.0300 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 5.7140 -0.2280 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9780 0.7280 -0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3820 -4.1760 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1960 -3.6200 0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5740 -0.4980 0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5160 -6.5820 -0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5340 -7.9450 -0.0800 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 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 30 1 0 0 0 0 6 7 1 0 0 0 0 6 26 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 24 1 0 0 0 0 9 10 1 0 0 0 0 9 21 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 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 M END