IFLAB-ZINC04504502 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.6180 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6810 -2.0010 1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -2.6310 2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9040 -1.8640 3.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8440 -0.4820 3.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 0.1410 2.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4120 0.2670 4.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3130 1.6870 3.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 -4.1070 2.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 -4.7740 1.3450 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 -4.7130 3.2570 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0620 -6.1760 3.3180 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1450 -6.5880 2.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2640 -6.6190 4.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1110 -8.1170 4.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 -8.4250 4.4900 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 -8.6990 5.8140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 -9.3270 3.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7930 -6.7310 4.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -2.5920 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 -2.3470 4.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 1.2190 1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8060 2.1620 4.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7960 2.0030 3.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 1.9770 3.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 -4.1810 3.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1870 -6.4580 3.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2900 -6.0410 5.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6040 -8.7240 3.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5260 -8.3320 5.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 -6.1400 4.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -6.7610 3.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 2 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 M END