PUBCHEM-ZINC05166184 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 42 0 0 1 0 0 0 0 0999 V2000 0.4640 1.0530 0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -0.4310 0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 -1.1940 1.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 -0.9060 -0.8770 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -2.3470 -1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.6960 -2.5130 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8220 -2.1510 -2.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 -4.2000 -2.6660 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1460 -4.4760 -2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 -4.5460 -4.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 -4.6240 -4.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 -4.9400 -6.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 -5.1790 -6.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 -5.1000 -6.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -4.7790 -4.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 -5.5190 -8.2490 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7380 -5.5890 -8.7770 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3630 -5.7290 -8.9020 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8900 -4.9270 -2.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 -6.1370 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 -6.5750 -1.6020 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 -6.9500 -0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 -2.3250 -3.2020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9800 -2.9630 -3.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 -1.0960 -3.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5110 -0.2670 -3.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6080 -0.7500 -4.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 0.9930 -5.0020 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0840 -1.0710 -3.5610 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5150 1.3420 0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 1.5870 -0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 1.3020 1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 -2.8220 -0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 -2.7030 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 -4.4370 -4.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6470 -5.0020 -6.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -5.2870 -6.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 -4.7140 -4.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6630 -6.3970 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4850 -7.1480 0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 -7.8950 -1.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6330 -1.3610 -5.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 19 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 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 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 42 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END