PUBCHEM-ZINC05118767 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 -6.2840 -1.5820 6.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6570 -0.4160 8.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2240 0.4280 6.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8760 1.8720 6.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3610 2.6040 5.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0270 3.9860 5.6060 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7190 4.4550 6.0740 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9600 4.2620 5.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8520 5.9420 6.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1710 6.2720 5.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8670 5.0330 5.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0270 4.9750 5.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6640 7.3850 6.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8630 6.8070 6.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1430 8.1170 6.9400 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 6.3180 7.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 6.5690 8.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.9680 8.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6800 5.2480 7.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 5.2840 5.9510 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 3.7600 7.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2180 3.7960 8.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8810 3.1590 9.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6780 2.4860 9.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8120 2.4500 8.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 3.0840 7.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 1.7300 8.7530 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7740 1.1700 9.7930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 1.6980 7.8050 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.6420 -2.0810 7.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5150 -2.1940 6.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1140 -1.4430 6.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8600 -1.0440 7.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0670 -0.8760 9.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2560 0.5670 8.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9960 0.4260 5.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3340 -0.0760 5.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7660 2.3770 6.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1040 1.8750 7.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4710 2.0990 4.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1330 2.6010 4.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 8.6390 7.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 7.1790 8.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0990 6.0670 8.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6040 4.7140 6.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1580 4.3210 8.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5580 3.1870 10.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 1.9890 10.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 3.0520 6.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7180 -0.2740 7.3200 N 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 50 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 50 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 50 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END