PUBCHEM-ZINC03869954 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 38 0 0 1 0 0 0 0 0999 V2000 -0.5290 1.7850 -0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 0.4530 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 -0.1690 -0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 0.4980 -1.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1810 -1.5350 -0.2540 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2330 -2.3870 -0.8400 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1930 -1.9580 -0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1030 -2.4470 -2.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 -3.6630 -3.2650 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.0980 -3.1550 -2.6970 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.9140 -4.0040 -3.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0950 -3.5100 -1.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1540 -1.7270 -2.9810 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.0160 -3.7610 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8870 -4.1440 0.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1620 -4.4980 0.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1720 -5.7930 0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1960 -5.7880 2.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 -4.6630 2.8030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6350 2.4280 0.4760 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4410 1.7180 0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 3.6480 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 4.6610 0.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 1.6050 -1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3790 2.4780 -0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -0.2410 0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 0.5930 1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4760 -2.0300 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3110 -1.4620 -2.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0640 -2.6790 -2.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0660 -4.1200 -0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0620 -6.3220 0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2880 -6.3530 0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2640 -6.9440 2.7460 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6750 3.4890 -1.4340 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1750 2.9720 1.8190 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6230 2.5420 2.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 3.0410 1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 3.9770 1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 22 23 2 0 0 0 0 22 35 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 M CHG 1 13 -1 M CHG 1 34 -1 M CHG 1 35 -1 M CHG 1 36 1 M END