PUBCHEM-ZINC05878976 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 56 0 0 0 0 0 0 0 0999 V2000 0.0450 0.3410 1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 0.7550 3.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 2.6290 1.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 3.4110 2.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 4.8880 2.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3160 5.6730 3.2540 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4320 7.0580 3.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 8.0230 2.2220 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3510 7.5580 4.2130 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4780 9.0040 4.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7850 9.6000 4.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5500 10.3910 4.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7560 10.9490 4.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2160 10.7370 3.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4530 9.9630 2.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2440 9.4040 2.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4110 11.3360 2.8740 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9190 11.1520 1.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2690 6.7030 4.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6520 6.0000 6.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3840 5.0150 6.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8330 4.3650 7.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5560 4.7210 8.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 5.6620 7.7250 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3830 6.2870 6.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 -0.7190 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 0.6010 0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 0.5840 0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 1.0650 3.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -0.3300 3.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 1.2420 4.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 2.7600 0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 2.9420 2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4730 3.0140 2.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 3.3160 3.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4230 5.2840 2.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 5.0180 1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8720 5.1410 3.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3900 9.1090 5.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6570 9.5900 4.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2180 10.5780 5.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3420 11.5560 5.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7650 9.7730 1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6670 8.8070 2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8700 11.6890 1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2420 11.5770 0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1190 10.0940 1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1110 7.3050 5.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6920 5.9580 4.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3910 4.7550 6.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3910 3.6060 8.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0830 4.2480 9.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7530 7.0490 6.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 1.1450 2.1850 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5640 0.8780 2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 54 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 54 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 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 19 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 23 24 2 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 25 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END