IFLAB-ZINC05146704 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3790 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 1.2050 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 0.0330 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4260 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 2.0920 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -0.6880 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9270 -0.1170 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8620 -1.1440 -0.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2290 -1.2980 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7310 -2.5210 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3330 -3.6100 -0.0740 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1420 -2.3010 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8600 -2.0270 -0.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1370 -0.0960 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3280 0.3860 -1.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7810 -0.1910 -2.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1070 1.4570 -1.7380 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2930 1.9250 -3.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2010 3.1280 -3.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5680 2.9610 -3.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4010 4.0640 -3.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8670 5.3350 -3.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4980 5.5010 -3.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6660 4.3980 -3.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9130 6.7200 -3.1270 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9040 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 1.2180 -1.7600 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 1.9840 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 3.1720 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1400 0.9420 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7750 -2.7980 -0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6900 0.6990 0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1040 -0.3690 0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5450 1.9180 -1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7400 1.1300 -3.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3270 2.1980 -3.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9850 1.9690 -3.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4700 3.9330 -3.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0800 6.4930 -2.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5970 4.5280 -2.9210 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 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 29 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 M END