PUBCHEM-ZINC05533596 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -0.7400 1.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.4500 0.7130 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -2.1440 -0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.7940 -1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -0.2160 -2.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 0.0390 -3.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 0.0340 -3.1570 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 0.6080 -4.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 0.1560 -5.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 2.1350 -4.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -3.1230 -1.9430 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -4.4250 -1.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -4.7400 -0.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -5.4600 -2.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -6.7620 -2.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -7.8030 -3.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -7.4450 -4.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -8.4260 -5.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -9.7620 -5.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -10.1240 -3.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 -9.1540 -2.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 -11.5550 -3.5670 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1260 -12.4120 -4.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 -11.8760 -2.3920 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0270 -0.1820 2.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 0.2740 -4.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2950 0.4900 -4.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 0.5860 -6.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3940 -0.9320 -5.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0620 2.4690 -3.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 2.4570 -3.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 2.5660 -5.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.8720 -2.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -5.1800 -3.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -7.0420 -1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -6.4030 -4.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -8.1510 -6.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -10.5250 -6.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -9.4380 -1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 -0.0620 2.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 -0.8680 3.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 0.7860 2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 27 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 13 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 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END