PUBCHEM-ZINC04573648 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 0 0 0 0 0 0999 V2000 -0.1520 1.5540 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 0.2220 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 -0.3880 -0.2160 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0510 1.2110 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 2.0560 -0.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3980 1.5540 -0.1290 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7620 2.8510 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9140 3.7180 -0.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2220 3.2230 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3530 4.6810 0.0070 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4160 5.3570 1.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6100 4.8250 2.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 5.5310 3.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3850 5.2620 4.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1910 5.7930 3.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1260 5.0880 2.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4160 5.4010 -1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2650 4.8540 -2.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6760 6.8840 -1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6180 7.4690 -2.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8810 8.9750 -2.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7050 9.6110 -3.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7910 10.6930 -3.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5890 10.6770 -2.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3610 9.2530 -2.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0380 2.1720 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 -0.3780 -0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 0.8610 -0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6990 2.7780 0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7030 2.8530 -0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5300 6.4300 1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4960 3.7520 2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5290 5.0170 1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5260 5.1520 4.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7900 6.6040 3.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2710 4.1890 4.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4320 5.7650 5.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2720 5.6020 3.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3050 6.8660 3.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2740 5.4660 1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0110 4.0150 2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9180 7.3600 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6620 7.0640 -0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3760 6.9930 -3.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6310 7.2900 -2.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2150 9.4490 -1.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8370 8.8550 -4.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7160 10.0620 -3.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4500 10.4620 -4.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3300 11.6700 -4.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6490 10.8460 -2.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2010 11.4270 -1.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5060 9.2380 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0190 8.5340 -2.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 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 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 M END