IFLAB-ZINC00213985 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 36 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 -0.6040 1.4680 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 -0.0360 2.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 0.6220 2.3900 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 1.0710 3.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4220 1.8170 3.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1870 2.3270 2.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3500 2.9930 2.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7780 3.1680 3.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0390 2.6740 4.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 1.9910 4.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9250 1.3990 5.4180 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9820 1.3770 6.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9000 0.8420 4.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 0.1350 5.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 -0.0880 6.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -0.2950 4.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 -1.0370 4.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -1.5870 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8600 2.1950 1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9410 3.3870 1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6990 3.6970 3.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3790 2.8160 5.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1290 -0.3380 4.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 -1.5980 5.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5440 -1.7260 3.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 16 2 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 M END