PUBCHEM-ZINC04550066 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 1 0 0 0 0 0999 V2000 0.0170 1.5000 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.0070 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -0.7380 1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -2.4500 0.7100 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -2.1500 -0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8020 -1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -0.2280 -2.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 0.0140 -3.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 0.0310 -3.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 0.5990 -4.4960 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2640 1.2000 -4.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 -0.5280 -5.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 1.4700 -4.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1990 1.5990 -3.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 2.1050 -5.8890 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7280 2.8190 -6.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8980 2.4800 -5.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0590 3.1870 -5.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0580 4.2310 -6.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8950 4.5700 -7.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7290 3.8710 -7.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 4.2390 -7.7490 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4610 5.2170 -8.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4790 3.5650 -7.6060 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0020 -3.1340 -1.9440 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -4.4350 -1.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -4.7440 -0.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -5.5040 -2.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -0.1760 2.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 1.8670 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 1.8630 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 1.8600 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 -1.1580 -5.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0620 -1.1280 -5.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -0.1020 -6.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 2.0680 -6.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9000 1.6650 -4.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9700 2.9240 -5.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9680 4.7810 -6.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8980 5.3860 -7.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -2.8870 -2.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 -5.7590 -2.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 -6.3910 -2.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 -5.1370 -3.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 -0.0440 2.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 -0.8640 3.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 0.7870 2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 7 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 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 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 36 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END