PUBCHEM-ZINC04845713 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 1.0480 1.1770 -0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -0.2370 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 -0.8820 1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -2.2030 0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -2.2540 -0.5450 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5760 -1.0760 -1.0660 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2260 -3.3050 -1.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0170 -4.3940 -1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 -5.3980 -1.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 -5.3040 -3.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -4.2220 -3.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 -3.2210 -2.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 -6.6190 -4.4630 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 -6.5510 -5.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 -7.8070 -3.6130 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7180 -6.2310 -5.0620 N 0 5 0 0 0 0 0 0 0 0 0 0 -2.5800 -5.3850 -5.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 -3.3700 1.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 -0.3790 2.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 -0.3780 3.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 0.1130 4.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 0.6080 5.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 0.6140 4.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5740 0.1220 3.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0950 1.2120 5.0100 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 1.1990 6.7870 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1040 1.3260 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 1.4700 -1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4490 1.8500 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 -4.4860 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9560 -6.2410 -1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -4.1520 -4.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 -2.3840 -3.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 -3.5480 1.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -4.2760 1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 -3.1970 2.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7170 -0.7530 2.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6820 0.1060 5.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4890 0.1220 2.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 6 2 0 0 0 0 3 4 2 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 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 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 39 1 0 0 0 0 M CHG 1 16 -1 M END