PUBCHEM-ZINC03017520 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 0.0460 1.2200 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 -0.1500 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -0.7280 -0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 0.0650 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 1.4360 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 2.0140 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8710 2.4480 -0.0010 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7160 2.0420 -1.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4140 3.7830 0.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 2.0220 1.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9470 1.4040 1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6100 1.0680 2.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0300 1.3540 3.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7830 1.9780 3.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1330 2.3120 2.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8120 2.9790 2.7650 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3560 3.3420 3.8340 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 3.1640 1.7390 O 0 5 0 0 0 0 0 0 0 0 0 0 6.7340 0.9960 5.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6150 1.6970 6.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5080 -0.1060 5.1250 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3100 -0.4090 6.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9820 -1.8310 6.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1920 -2.8050 5.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2460 -2.4440 4.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5610 -1.0310 3.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1310 -0.6600 -0.3010 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 1.6720 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 -0.7690 -0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 -1.7990 -0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 3.0840 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3940 1.1840 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5740 0.5860 2.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3290 2.2010 4.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3700 -0.3400 6.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0680 0.3000 7.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6390 -2.1030 7.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9440 -1.8760 7.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2230 -2.7420 5.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9830 -3.8210 5.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3790 -3.1520 3.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2150 -2.4830 4.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8260 -0.7330 3.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5580 -1.0140 3.5460 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 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 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 19 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 2 0 0 0 0 16 18 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END