PUBCHEM-ZINC04215295 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 1 0 0 0 0 0999 V2000 -0.1420 1.5160 -0.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 0.2470 -1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -0.5060 -1.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 -0.0080 -1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2440 1.2620 -0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 2.0420 -0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 3.4630 0.1150 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1950 3.6600 0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 4.4960 -1.0310 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5240 4.3190 -1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 5.9360 -0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 6.7960 -1.5770 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6620 7.4200 -2.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8530 7.4740 -2.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 7.8880 -3.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6030 4.3260 -1.6760 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8570 4.4630 -3.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 4.8420 -3.8210 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2820 4.1420 -3.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8210 5.4680 -4.5480 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4130 3.9460 -2.1340 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1890 3.6310 1.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9150 -1.8180 -2.2230 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1960 -2.2530 -2.5570 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 -2.4170 -2.3980 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0570 2.1000 -0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 -0.1290 -1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1110 -0.5850 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2060 1.6460 -0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 5.9820 0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0480 6.3140 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 7.7360 -3.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 8.9430 -3.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3780 4.1030 -1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2650 3.2140 -4.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0890 2.9320 1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6800 7.1020 -4.7490 N 0 3 0 0 0 0 0 0 0 0 0 0 1.2070 7.2530 -5.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6440 6.0700 -4.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6820 7.3120 -4.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 35 1 0 0 0 0 22 36 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 40 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M CHG 1 37 1 M END