PUBCHEM-ZINC05326263 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 38 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -0.4720 -1.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -1.8010 -1.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -2.5480 -0.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -2.3610 -2.5690 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3590 -1.7590 -2.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -2.3310 -3.7610 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2860 -1.2960 -4.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 -3.0020 -4.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8390 -2.2450 -5.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4340 -2.8610 -6.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3590 -4.2340 -7.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6890 -4.9910 -6.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 -4.3750 -5.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9950 -4.8930 -8.2770 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5850 -4.2250 -9.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 -6.1020 -8.4030 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6840 -3.0220 -3.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8870 -3.7430 -2.3050 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2970 -4.3270 -2.9480 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3480 -5.6780 -2.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2100 -4.0080 -4.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5980 -3.3490 -2.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 -1.1720 -5.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9580 -2.2690 -7.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 -6.0630 -6.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 -4.9670 -4.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 -3.9500 -3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 -4.3160 -1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5520 -3.4950 -1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5720 -3.6700 -2.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4530 -2.2930 -2.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 19 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 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 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END