PUBCHEM-ZINC05252492 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3590 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -0.6890 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4190 0.0060 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4270 1.3690 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 2.0770 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 3.4820 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3510 4.1560 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3450 5.7160 0.0090 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0790 6.0290 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5580 7.3480 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9140 7.5840 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8060 6.5210 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3420 5.2140 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9890 4.9600 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2660 6.7850 -0.0400 N 0 3 0 0 0 0 0 0 0 0 0 0 8.7120 8.0240 -0.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1170 5.7790 -0.0520 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2200 -2.4250 -0.0230 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.8880 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -0.5540 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3530 -0.5370 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3630 1.9060 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 4.0190 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8650 8.1760 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2840 8.5980 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0430 4.3930 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6290 3.9420 -0.0110 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 20 1 0 0 0 0 2 3 2 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 4 5 2 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 9 10 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 25 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END