PUBCHEM-ZINC00728074 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 -0.8790 0.7830 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 -0.5230 -0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 -1.6200 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6570 -2.4080 -1.4290 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1980 -3.7190 -1.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 -4.3110 -2.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 -3.2310 -3.8280 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 -1.9660 -2.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6070 -0.7360 -2.8230 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8510 -0.0210 -3.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2470 -0.2520 -5.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5350 0.5610 -6.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4140 1.6220 -6.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0140 1.8980 -4.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7220 1.0730 -3.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9420 3.0700 -4.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0890 3.7140 -5.9080 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.6820 2.4190 -7.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 -4.4460 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 -5.2870 0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9010 -5.9780 1.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 -5.8330 1.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 -4.9990 1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 -4.3050 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 1.5220 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8690 1.1620 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 -0.8190 -0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -2.2340 0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6310 -1.2280 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0490 -5.3140 -3.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8710 -0.2620 -1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5070 -1.0300 -5.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0630 0.3780 -7.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1990 1.2980 -2.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3310 3.1250 -6.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5020 -5.4180 0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5260 -6.6350 2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 -6.3750 2.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3170 -4.8970 1.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 -3.6680 -0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4680 3.3030 -3.6870 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 8 2 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 31 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 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 41 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 M CHG 1 4 1 M CHG 1 17 -1 M END