PUBCHEM-ZINC03130686 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.6190 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 0.1390 2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -0.4850 3.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 -1.8700 3.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 -2.6280 2.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -2.0030 1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -2.8120 0.0300 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0960 -4.0280 0.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5080 -2.2620 -0.9020 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5210 -2.4850 4.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0770 -1.7020 5.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3260 -1.3200 6.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8920 -0.5230 7.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2110 -0.1070 7.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9630 -0.4900 6.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3980 -1.2900 5.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1310 -1.6660 3.9760 F 0 0 0 0 0 0 0 0 0 0 0 0 6.2460 -0.0840 5.9090 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7670 0.6770 8.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3910 0.0630 9.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4460 -1.3220 9.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0800 -1.9460 10.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6610 -1.1870 11.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6060 0.1980 11.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9770 0.8220 10.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2260 1.0070 12.2670 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1770 2.2230 12.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7840 0.4580 13.2000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.2850 -1.8000 12.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3040 -3.2290 12.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1610 -0.1510 8.3200 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 -1.7250 6.3820 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 1.2180 2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 0.1050 3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3590 -3.7060 2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9930 -1.9130 8.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1240 -3.0240 10.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9380 1.9000 10.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8300 -3.5900 13.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2810 -3.6060 12.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8140 -3.5820 11.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 31 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 43 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 31 32 1 0 0 0 0 32 44 1 0 0 0 0 32 45 1 0 0 0 0 32 46 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M CHG 1 28 1 M CHG 1 30 -1 M END