PUBCHEM-ZINC05764722 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 52 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.4650 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 3 3 0 0 0 0 0 0 0 0 0 0.7130 -0.4910 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 0.1380 1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8460 -0.3690 2.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2400 0.2600 2.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9800 -0.2470 3.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3740 0.3820 3.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1140 -0.1250 5.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5080 0.5040 5.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2480 -0.0030 6.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5860 0.6000 6.4210 N 0 3 3 0 0 0 0 0 0 0 0 0 10.4610 2.0630 6.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2960 0.1140 7.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6400 0.8360 7.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5120 0.2380 9.1940 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.3350 0.2300 5.2200 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3760 -0.5120 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1160 -0.0060 -1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8080 -0.6300 -1.2140 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 -0.4760 -1.2020 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8420 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8260 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8160 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 -0.2150 2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8050 -1.5760 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 -0.1380 0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 1.2230 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 -0.0930 3.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9390 -1.4540 2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7980 -0.0160 1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1480 1.3450 2.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4220 0.0290 4.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0730 -1.3320 3.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9320 0.1060 2.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2810 1.4670 3.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5560 0.1510 5.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2060 -1.2100 5.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0660 0.2280 4.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4150 1.5890 5.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6890 0.2730 7.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3400 -1.0880 6.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9030 2.3390 7.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4540 2.5110 6.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9340 2.4240 5.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6960 0.3110 8.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4670 -0.9590 7.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2410 0.6380 6.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4690 1.9080 7.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 -1.6020 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 -0.1610 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1310 1.0840 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6060 -0.3570 -2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 20 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 M CHG 1 2 1 M CHG 1 12 1 M CHG 1 17 -1 M CHG 1 21 -1 M END