PUBCHEM-ZINC04188671 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 3.5390 -9.1360 1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6600 -7.9590 0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2980 -7.7150 -0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4910 -6.6350 -0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0460 -5.7980 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 -6.0420 1.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2100 -7.1250 1.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -4.4200 -0.0440 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -3.5610 1.0870 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 -4.0010 -1.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5340 -4.9830 -0.1550 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1510 -5.2430 -1.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 -4.5290 -1.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3130 -4.9340 -0.3570 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6810 -4.5220 0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 -5.2420 1.0530 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4950 -6.3140 1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5940 -4.7040 2.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6140 -4.4320 -0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8340 -3.0610 -0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1200 -2.5680 -0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1900 -3.4380 -0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9740 -4.8050 -0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6880 -5.3040 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4580 -6.7650 -0.5980 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.4010 -7.5290 -0.7020 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3250 -7.2050 -0.5140 O 0 5 0 0 0 0 0 0 0 0 0 0 -9.8060 -2.8150 -0.7620 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5850 -8.8320 1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -9.4940 2.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3650 -9.9350 0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6460 -8.3690 -1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 -6.4440 -1.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 -5.3880 2.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 -7.3180 2.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 -4.8610 -2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2980 -6.3150 -1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3490 -3.4500 -1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0260 -4.8000 -2.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5220 -3.4440 0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3290 -4.7880 1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 -3.6240 2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1670 -4.9350 3.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 -5.1700 2.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9990 -2.3810 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2910 -1.5010 -0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8100 -5.4820 -0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 28 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END