PUBCHEM-ZINC00685900 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 -1.1390 0.6760 1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 -0.4580 0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -1.1280 1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2570 -2.0810 0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -2.0110 -0.6530 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 -0.9900 -0.5990 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 -2.8580 -1.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9730 -2.1810 -2.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3170 -2.4480 -2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2600 -1.8270 -3.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8600 -0.9390 -4.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5170 -0.6720 -4.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 -1.2980 -3.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -0.9690 -3.9040 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3490 -3.0410 0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0400 -0.8600 2.6910 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3840 0.3890 3.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3450 1.2960 2.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8080 0.6570 4.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1960 1.9080 4.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4960 1.6680 6.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2960 0.3500 6.5050 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4350 -0.0980 7.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8900 -0.2230 5.4290 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2610 3.2050 4.2770 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6160 4.2070 4.8720 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 3.2700 3.0990 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7000 1.6250 0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 0.5810 0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 0.6420 2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3320 -3.8180 -1.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -3.0170 -2.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6300 -3.1400 -1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 -2.0350 -3.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5980 -0.4540 -4.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 0.0210 -5.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9040 -3.9710 1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9830 -3.2480 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9490 -2.6000 1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 -1.5740 3.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8320 2.3940 7.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 16 1 0 0 0 0 4 5 1 0 0 0 0 4 15 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 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 19 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 25 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 24 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