PUBCHEM-ZINC05114749 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 53 0 0 0 0 0 0 0 0999 V2000 0.0360 -0.8010 -0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -0.8960 1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 0.6340 3.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 1.1720 3.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 0.5270 1.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7010 1.9970 1.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1410 2.0630 1.1960 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8980 3.2200 1.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3360 4.4920 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1080 5.6680 1.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4880 5.6550 0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 4.3760 0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2810 3.1920 0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9820 1.9080 0.6170 N 0 3 0 0 0 0 0 0 0 0 0 0 8.1120 1.9350 0.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4010 0.8670 0.9690 O 0 5 0 0 0 0 0 0 0 0 0 0 7.2420 6.8220 0.6990 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7080 8.1460 1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6720 8.2990 2.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9640 8.0700 3.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2440 7.2070 2.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6280 6.8150 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6470 6.6220 -1.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8610 7.6240 -1.9890 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9960 7.5930 -1.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 -0.6270 -1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 -1.7350 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6450 0.0100 -0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -1.0910 1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 -1.6900 1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 1.3630 3.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3630 -0.3190 3.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 2.1160 2.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 0.4690 2.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 1.3610 4.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 0.0370 0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -0.0330 2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 2.5140 0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 2.5020 2.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6780 1.1870 1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 4.6130 1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5700 6.6060 1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1150 4.2770 0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3520 8.9360 0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7210 8.3270 0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3590 9.3120 2.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 7.5950 3.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1090 7.7750 0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2440 6.0610 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6710 6.7000 -1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2520 5.6450 -1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 0.4200 1.5620 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2880 1.1740 0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 52 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 5 52 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 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 41 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M CHG 1 52 1 M END