PUBCHEM-ZINC04534317 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 47 0 0 1 0 0 0 0 0999 V2000 0.4750 1.5300 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 0.0290 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 -0.5370 -1.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 -2.0440 -1.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -2.6900 -2.9300 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 -4.4410 -2.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 -5.3630 -3.7960 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1150 -5.2410 -3.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 -6.8040 -3.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -7.3940 -3.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 -7.3240 -2.3880 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1730 -8.6440 -1.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0760 -8.8970 -0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8980 -7.9590 -0.3350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 -5.1880 -5.1850 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3390 -4.5270 -6.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4200 -3.9870 -5.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6590 -4.5210 -7.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6110 -4.1190 -8.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9440 -4.1480 -9.9980 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4310 -5.0980 -10.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -3.8690 -11.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 -2.9040 -11.8690 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 1.7700 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 2.0560 -0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 1.9120 0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -0.4640 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7970 -0.1780 -0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 -0.0310 -2.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 -0.3170 -1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 -2.5500 -0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 -2.2630 -1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4910 -4.7660 -1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 -4.5010 -2.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1780 -6.8280 -1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 -8.7100 -1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 -9.3940 -2.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -5.6200 -5.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 -5.5230 -7.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 -3.8260 -7.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 -3.1210 -8.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4700 -4.8030 -8.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8840 -9.9890 0.0260 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9310 -4.5660 -11.3180 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8760 -3.0720 -10.0780 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1790 -2.6290 -11.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 -2.3300 -9.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 -3.4210 -10.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 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 43 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 45 1 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45 48 1 0 0 0 0 M CHG 1 43 -1 M CHG 1 44 -1 M CHG 1 45 1 M END