PUBCHEM-ZINC03130218 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 1 0 0 0 0 0999 V2000 0.3420 1.3580 -0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 -0.1610 -0.2780 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4370 -0.6400 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 -0.6160 1.0900 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3930 -2.1020 1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 0.1820 1.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7130 0.1850 2.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8350 0.9170 3.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 1.6470 2.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0460 1.6440 0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9260 0.9080 0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 -0.3550 2.3370 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5880 -1.3480 1.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 -2.0960 0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4790 -2.8720 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6760 -2.9080 0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8320 -2.1650 1.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7900 -1.3900 2.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9550 -0.6020 3.6820 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.0080 -0.6390 4.2920 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0370 0.0850 4.0940 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.7930 -3.7420 0.3160 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.6580 -4.3960 -0.7020 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8470 -3.7740 0.9250 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7110 -0.6240 -1.5500 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 1.8310 0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 1.7010 -1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 1.6250 0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 -2.3150 0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 -2.3520 1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 -2.6990 1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1920 -0.3860 3.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1910 0.9200 4.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3780 2.2200 2.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5660 2.2140 0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5720 0.9020 -0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 -2.0680 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3620 -3.4530 -0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7680 -2.1950 2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 25 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 36 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 37 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 22 1 0 0 0 0 17 18 1 0 0 0 0 17 39 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