PUBCHEM-ZINC05789255 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 1 0 0 0 0 0999 V2000 -0.0670 0.5260 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 -0.7090 -0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0190 -1.0780 -1.8650 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6430 -2.2850 -1.3730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -0.8740 -3.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 0.3280 -1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 1.3280 -0.9120 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4090 1.7770 -1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5400 3.3470 -0.7490 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7310 2.9820 -1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0700 4.8010 -0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 5.0590 -1.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 6.5550 -1.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 8.0350 -3.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 9.1650 -2.5360 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8200 10.0810 -2.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3040 9.1290 -1.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 8.1500 -3.8790 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 7.3420 -4.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4420 9.0580 -4.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8220 3.1620 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5610 2.2770 1.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.1060 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 0.2150 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 -1.5650 -0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -0.4980 -1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6270 0.0100 -0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5910 0.6740 -2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 5.1190 0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9040 5.4400 -1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 4.6720 -2.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 4.5220 -1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 6.9430 -0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4320 7.0910 -2.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 2.4390 -0.1070 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7770 2.9770 0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 2.0430 0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 6.7990 -2.6940 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 6.0040 -3.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8340 3.8410 -0.1510 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 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 4 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 21 1 0 0 0 0 9 35 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 38 39 1 0 0 0 0 M CHG 1 15 1 M CHG 1 35 1 M CHG 1 40 -1 M END