PUBCHEM-ZINC06185723 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 1.1880 1.9720 -0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 0.9770 0.2980 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2470 0.9930 1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -0.3580 -0.4210 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1810 -0.3040 -1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 -0.6210 -0.7090 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2810 -1.3320 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6890 1.0770 -1.2990 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0060 -1.0980 0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4610 -1.4130 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2450 -1.9290 1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7020 -2.2060 0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5110 -2.6900 2.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0350 -2.8960 3.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8450 -2.8710 1.8390 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8110 -3.3390 2.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3330 -2.1960 3.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5200 -2.7650 4.9580 S 0 0 0 0 0 0 0 0 0 0 0 0 13.1590 -3.3250 3.8440 S 0 0 0 0 0 0 0 0 0 0 0 0 14.0730 -1.7560 3.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7470 -1.2910 4.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6290 -0.0630 4.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4670 0.5450 3.5750 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 -1.1790 0.3840 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1130 -0.3560 0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 -0.7270 1.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 0.9780 0.7690 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 2.1610 -1.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 2.9230 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9950 -0.3630 1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 -2.0110 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -2.1650 -0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9550 -0.5150 -0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 -1.1910 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7780 -2.8450 1.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7550 -2.9700 0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1720 -1.2930 0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1810 -2.6740 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3300 -4.1070 3.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6190 -3.8110 2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7950 -1.4140 3.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4990 -1.7220 4.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8270 -1.9420 2.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3890 -0.9990 3.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0040 -1.0240 5.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3780 -2.0890 5.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 -2.1860 0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2930 1.7710 1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4210 0.1970 5.6210 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 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 4 1 0 0 0 0 2 27 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 24 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 49 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 48 1 0 0 0 0 M CHG 1 49 -1 M END