PUBCHEM-ZINC05896075 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 1 0 0 0 0 0999 V2000 -0.5320 4.7890 1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8080 5.0120 1.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 4.1570 1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5920 3.0810 0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 2.8590 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 3.7120 0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 3.4690 -0.0440 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8330 3.9150 0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 4.1030 -1.4290 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4960 3.6780 -2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6430 3.8210 -1.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6240 4.2880 -1.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 5.5500 -1.3270 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 6.2490 -2.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 5.6790 -3.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 7.7080 -2.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 8.3670 -1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 9.7290 -0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 10.4460 -2.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 9.8000 -3.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 8.4370 -3.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 7.6290 -4.9140 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 12.1610 -1.9780 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 2.0630 -0.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2040 4.3950 1.9670 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.4200 5.3440 2.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1110 3.6430 1.6600 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2710 5.4590 1.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 5.8530 2.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3960 2.4130 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1230 2.0170 -0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7650 2.7490 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7680 4.3370 -2.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5360 4.1420 -1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 6.0060 -0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 7.8100 -0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 10.2390 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 10.3640 -4.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 1.6130 -0.7860 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 25 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 24 39 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