PUBCHEM-ZINC06481979 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 0 0 0 0 0 0999 V2000 -0.7310 1.6300 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 0.2310 0.2990 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2950 -0.5150 1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7970 0.0680 1.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5610 -0.6720 2.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 -1.9930 2.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 -2.5770 2.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 -1.8410 1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -2.5730 0.6760 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2190 -2.9330 4.0810 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 -4.2360 3.5250 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3450 -2.1280 4.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 -3.1020 5.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 -4.3570 6.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 -4.4900 7.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 -3.3690 7.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 -2.1150 7.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 -1.9820 6.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3620 -0.6390 5.8370 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9630 0.3560 6.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 -0.5290 4.8770 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2750 1.6860 -0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 2.0440 -0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 2.2010 0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8320 -0.1780 -0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 1.1000 1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4100 -0.2180 3.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 -3.6090 2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -5.2330 5.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 -5.4700 7.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 -3.4730 8.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -1.2380 8.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 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 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 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 M CHG 1 19 1 M CHG 1 21 -1 M END