PUBCHEM-ZINC04557312 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 43 0 0 1 0 0 0 0 0999 V2000 0.0570 1.2830 0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 -0.2390 0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.7050 -1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 -2.2270 -1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 -2.6930 -2.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 -4.2150 -2.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 -4.6800 -3.8020 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0640 -4.3110 -3.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -6.2100 -3.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 -4.0340 -5.2850 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -4.6240 -5.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 -2.6270 -5.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1610 -4.6800 -6.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5960 -5.6020 -7.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3350 -6.1100 -8.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 -5.6940 -8.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2040 -4.7710 -7.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4640 -4.2600 -6.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0670 -3.2680 -5.9030 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1730 -2.8160 -6.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4560 -2.9030 -4.9140 O 0 5 0 0 0 0 0 0 0 0 0 0 4.4320 -6.2370 -9.8570 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9340 -7.0510 -10.6140 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5810 -5.8710 -10.0260 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1040 1.5760 0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3830 1.7430 -0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4820 1.6150 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -0.7000 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 -0.5330 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 -0.2450 -1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7640 -0.4120 -0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 -2.6870 -0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 -2.5200 -1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 -2.2320 -3.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4260 -2.3990 -2.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 -4.6750 -1.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -4.5080 -2.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -6.5790 -3.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5890 -6.5410 -4.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5430 -6.5980 -2.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 -5.9270 -7.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8940 -6.8310 -9.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2230 -4.4460 -8.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 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 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M CHG 1 22 1 M CHG 1 24 -1 M END