PUBCHEM-ZINC05733408 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 62 0 0 1 0 0 0 0 0999 V2000 0.5510 1.3950 1.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 0.1780 1.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 -0.0010 0.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0060 1.0180 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 2.2340 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 2.4310 0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 3.7470 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 4.7040 1.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 6.0090 1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 6.2610 0.5050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 6.8740 2.4540 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3850 8.1800 2.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 8.5930 4.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 10.2420 4.1350 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 10.5420 5.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 9.6750 6.7350 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5210 9.8880 8.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 10.9930 8.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 11.7830 7.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 11.6200 6.1810 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 12.7570 8.1790 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 12.5290 9.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4540 11.4790 9.7490 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2570 13.8250 7.5730 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8440 13.9810 6.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7910 13.6400 7.4540 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9820 13.1430 6.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2210 15.1150 7.3320 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1930 15.4250 6.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1740 15.9080 8.1210 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8520 16.7800 7.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 15.0670 8.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6070 16.3730 9.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5580 17.1590 10.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 16.6370 9.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5530 15.2790 7.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6260 14.4450 8.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3670 13.1490 8.5510 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.1310 9.0170 8.9480 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1340 -1.1770 0.8760 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 -1.7780 1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 1.5320 1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 -0.6120 2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9610 0.8650 -0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7780 3.0260 -0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 4.2030 -0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 3.5610 0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 4.2480 2.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7970 4.9300 1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 6.6050 3.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 8.8850 2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 8.1550 2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 7.8680 4.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 8.6120 4.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 13.1570 10.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 15.5320 10.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5020 16.9990 9.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6560 8.2390 8.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0370 9.1810 9.9420 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 42 1 0 0 0 0 2 3 2 0 0 0 0 2 43 1 0 0 0 0 3 4 1 0 0 0 0 3 40 1 0 0 0 0 4 5 2 0 0 0 0 4 44 1 0 0 0 0 5 6 1 0 0 0 0 5 45 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 46 1 0 0 0 0 7 47 1 0 0 0 0 8 9 1 0 0 0 0 8 48 1 0 0 0 0 8 49 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 50 1 0 0 0 0 12 13 1 0 0 0 0 12 51 1 0 0 0 0 12 52 1 0 0 0 0 13 14 1 0 0 0 0 13 53 1 0 0 0 0 13 54 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 22 55 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 32 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 38 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 36 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 34 35 1 0 0 0 0 36 37 1 0 0 0 0 39 58 1 0 0 0 0 39 59 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 38 -1 M END