PUBCHEM-ZINC05605319 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 1 0 0 0 0 0999 V2000 -0.4900 0.6170 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 3.0050 0.9140 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5990 3.1840 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 3.6150 1.8150 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5290 4.6330 1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 3.7490 3.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6870 4.2490 2.7960 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5610 5.3320 2.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 3.6190 1.4260 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3480 4.4710 0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9840 2.6100 1.5460 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.5270 4.0790 3.9600 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 3.0060 4.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3930 3.1730 5.8070 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9660 4.4040 5.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4430 4.9840 4.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7610 6.1840 3.9110 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7050 6.8000 4.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3030 6.3620 5.7800 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9290 5.1500 6.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5890 2.8360 1.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 3.5830 2.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9770 3.8470 3.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 -0.3970 0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 0.6860 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 0.9190 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9170 2.1390 4.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0230 7.7750 4.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4320 1.8760 2.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 2.6630 1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 1.5170 1.1150 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9900 1.5360 1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 1.2260 2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6430 4.5170 7.7360 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.9360 3.3760 7.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 2 31 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 21 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 27 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 18 19 2 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 29 1 0 0 0 0 21 30 1 0 0 0 0 22 23 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 34 35 1 0 0 0 0 M CHG 1 11 -1 M CHG 1 31 1 M END