IFLAB-ZINC04056417 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 0 0 0 0 0 0999 V2000 -0.0860 1.7860 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 0.2670 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 -0.3400 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6130 -2.5630 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 -4.0690 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -4.4850 -0.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5520 -4.7890 0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6920 -6.1720 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9040 -6.8530 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6880 -8.2820 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3390 -8.5860 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 -7.2080 -0.0570 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7570 -9.9660 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8020 -11.0020 0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1530 -10.7470 -0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7280 -9.3700 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1700 -6.1180 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2070 -4.8890 0.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2590 -6.9220 0.3050 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5360 -6.2740 0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8190 -5.9240 1.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 2.2050 -0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 2.1490 -0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 2.1670 0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 -0.0800 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 -0.0610 0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9670 -0.0470 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9990 -0.0660 -0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1830 -2.2640 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1310 -2.2740 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4510 -4.2950 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4310 -10.1840 -1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8780 -10.0430 0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4430 -12.0080 0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9330 -10.9640 1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0240 -10.8100 -1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8680 -11.5280 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1480 -9.4140 1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5450 -9.1440 -0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5870 -5.3890 -0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2870 -6.9820 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8130 -5.4810 1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7630 -6.8190 2.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0780 -5.2170 2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3020 -1.8230 -0.0540 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7700 -2.1570 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 -2.1380 0.7480 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 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 4 45 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 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 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 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 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 M CHG 1 45 1 M END