PUBCHEM-ZINC05138509 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 41 0 0 1 0 0 0 0 0999 V2000 -0.1900 1.8760 -0.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 0.3630 -0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 -0.3340 -1.1740 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9330 0.0570 -2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 -1.8740 -1.2250 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2560 -2.1100 -1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 -2.4980 -2.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6710 -3.1750 -2.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 -2.2200 -3.5960 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0180 -2.6730 -4.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 -2.1590 -6.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 -1.4670 -5.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 -2.5620 0.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0320 -2.9440 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -2.7270 1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -2.3510 1.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -3.4580 2.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 -3.3380 3.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -4.0110 4.7130 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5400 -3.6970 4.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 -3.7800 6.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 -4.9300 6.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 0.1380 -0.5200 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7020 2.3670 -0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 2.1310 -1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 2.2930 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 0.1490 0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 -0.0370 -0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4650 -1.6710 -3.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0490 -2.3130 -4.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 -3.7670 -4.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9150 -4.5080 1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7780 -3.0390 2.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 -2.2730 3.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 -3.7540 3.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 -0.4160 0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 -2.4860 -7.1540 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5960 -2.6120 6.3490 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5470 -5.5150 4.5200 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4830 -5.9190 4.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 -5.8790 3.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 -5.7990 5.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 23 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 37 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 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 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 39 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 23 36 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 42 1 0 0 0 0 M CHG 1 37 -1 M CHG 1 38 -1 M CHG 1 39 1 M END