PUBCHEM-ZINC04701876 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 1.5840 2.0910 -1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 1.0500 -0.4620 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 1.3140 0.9650 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 1.2340 -1.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 -0.5110 -0.7370 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -0.8990 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3040 -2.4140 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 -3.0580 0.8310 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3630 -2.9290 -0.5660 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7850 -4.2710 -0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1410 -5.3470 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6130 -6.6500 -0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 -6.8850 -1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3810 -5.8200 -1.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9220 -4.5030 -1.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6420 -3.3540 -2.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1410 -2.1900 -2.0070 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8070 -1.0560 -2.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 -1.6080 -2.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 -2.1180 -3.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 -2.0670 -4.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5920 -1.5020 -4.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 -0.9900 -3.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8360 -1.4250 -5.4850 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5390 1.9140 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 1.8890 -2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 3.1290 -1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0870 -0.4660 -0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1290 -0.5170 1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 -2.2830 -1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 -5.2010 0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1090 -7.4820 0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0960 -7.8980 -1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2550 -6.0160 -2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 -1.6430 -1.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6190 -2.5510 -3.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -2.4640 -5.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -0.5560 -2.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6690 -3.6250 -2.9020 O 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 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 39 2 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 38 1 0 0 0 0 M CHG 1 17 -1 M END