PUBCHEM-ZINC06227724 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 66 0 0 1 0 0 0 0 0999 V2000 1.4750 1.3040 2.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 -0.2060 1.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6630 -0.4780 0.5310 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -1.7620 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 -2.6120 0.9110 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8780 -2.1200 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8910 -3.4250 -1.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1990 -3.7540 -2.8450 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5130 -2.9060 -3.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -1.5520 -3.5990 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8900 -0.8060 -4.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9610 0.4060 -4.5970 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1670 -1.5500 -5.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5360 -1.0210 -7.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7060 0.3470 -7.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2260 1.0340 -8.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2190 2.3630 -8.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7170 2.5060 -6.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4170 1.2960 -6.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5450 3.7770 -6.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6020 4.7030 -6.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4310 5.8870 -5.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2190 6.1780 -4.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1700 5.2690 -4.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 4.0820 -5.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 3.1180 -5.6120 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0520 3.4060 -5.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3470 1.9720 -6.2430 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0150 7.6860 -4.0090 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9410 -3.2060 -5.4940 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2210 -1.0690 -2.2330 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3740 -0.3870 -2.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -0.2820 -1.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2260 1.0170 -1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3070 1.7400 -0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5640 1.1650 -0.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7430 -0.1330 -1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6590 -0.8620 -1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8310 -2.1420 -2.1090 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1320 -2.7100 -1.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -4.5080 -0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4840 1.6670 1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 1.8020 1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 1.5170 3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 -0.6970 2.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 -0.5850 2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6880 -1.6790 -7.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5510 0.5760 -9.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 3.1630 -8.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5450 4.4790 -6.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2410 6.6000 -5.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 5.5040 -4.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2450 1.4680 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1690 2.7550 -0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4070 1.7320 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7250 -0.5820 -1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8700 -2.0750 -2.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3650 -2.7840 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1530 -3.7040 -2.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 -4.6260 -0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0050 -5.4460 -0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9320 -4.2330 0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 3 1 0 0 0 0 2 45 1 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 8 9 2 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 31 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 17 18 2 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 38 2 0 0 0 0 34 35 2 0 0 0 0 34 53 1 0 0 0 0 35 36 1 0 0 0 0 35 54 1 0 0 0 0 36 37 2 0 0 0 0 36 55 1 0 0 0 0 37 38 1 0 0 0 0 37 56 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 57 1 0 0 0 0 40 58 1 0 0 0 0 40 59 1 0 0 0 0 41 60 1 0 0 0 0 41 61 1 0 0 0 0 41 62 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END