PUBCHEM-ZINC02944659 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -0.1310 1.7550 1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 0.5210 1.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 -0.2970 1.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0980 0.1170 1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2100 1.3480 0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 2.1770 0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 3.5010 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 4.0940 -0.3570 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 5.2260 -0.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 5.7450 -1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9380 5.1100 -1.3280 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8680 7.0850 -1.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 7.7700 -2.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 9.0220 -2.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 9.6020 -3.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0090 8.9300 -2.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0470 7.6730 -2.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5570 6.8280 -2.2860 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7630 11.1790 -3.8430 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5300 4.1500 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8490 4.8990 -1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0950 5.4870 -1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9780 5.3480 -0.2890 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7170 4.6510 0.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 4.0350 0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 -1.6190 2.6360 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3000 -1.9860 3.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7470 -2.3410 2.7230 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0010 2.3900 1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 0.1930 2.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9630 -0.5260 1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1600 1.6700 0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 7.3200 -1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 9.5520 -2.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9190 9.3870 -3.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1320 5.0160 -1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3510 6.0670 -2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4690 4.5640 1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2850 3.4690 1.8660 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 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 35 1 0 0 0 0 17 18 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 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END