PUBCHEM-ZINC04664430 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 4.6600 -0.8880 -1.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8810 -1.9060 -1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4170 -3.0810 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5720 -3.3190 0.9460 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 -4.1330 0.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2340 -4.7110 -0.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7660 -4.2870 2.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 -5.0490 2.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -5.7060 1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 -7.0130 1.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 -7.6230 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2630 -6.9460 -0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 -5.6480 -1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 -5.0260 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8790 -7.5530 -1.9970 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9980 -6.8000 -3.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7040 -7.6300 -4.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0830 -7.5780 -4.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7350 -8.3350 -5.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 -9.1540 -6.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6090 -9.2010 -6.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9690 -8.4350 -5.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6920 -9.9680 -7.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9020 -9.9250 -7.2750 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6150 -3.2480 3.2670 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8480 -2.7190 2.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7680 -1.9550 2.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6870 -0.8920 -0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2770 -0.0480 -1.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8530 -1.9030 -1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4160 -3.9670 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4360 -2.8680 0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 -5.1730 3.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3740 -7.5400 2.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4890 -8.6310 0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -5.1260 -2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 -4.0170 -0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5720 -5.8930 -3.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 -6.5320 -3.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6500 -6.9450 -3.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8110 -8.2940 -5.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0350 -9.8330 -6.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 -8.4670 -5.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9800 -10.7570 -8.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4770 -11.2700 -8.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 44 45 1 0 0 0 0 M END