PUBCHEM-ZINC04533589 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 0.0950 1.2460 1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 2.1200 1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 0.0140 0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 -0.6630 0.4810 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0470 -1.6040 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 0.1230 0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0240 -0.1320 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4670 1.2750 1.2420 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 2.0650 1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5740 -0.5810 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7720 -0.8340 -1.1730 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8730 -1.2670 -1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9360 -1.8200 -1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0620 -1.4450 -1.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6150 -3.1280 -1.0680 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5910 -4.2010 -1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9260 -5.4550 -0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 -5.4780 -0.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7300 -6.5560 -0.5000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3440 -7.4240 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7020 -6.5600 -0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 0.3780 -1.9190 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 1.3020 -2.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 1.2110 -2.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 2.4910 -3.1040 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4340 3.0600 -2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5230 2.1070 -4.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3490 3.3280 -5.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 3.9020 -4.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 4.7050 -5.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7630 3.3810 -3.5800 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 -1.5170 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3640 0.0770 0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 -3.4050 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4580 -3.9310 -0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8980 -4.3570 -2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1110 0.5020 -2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 1.2300 -4.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5770 1.8680 -4.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 3.0500 -6.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1370 4.0680 -5.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 3.6160 -3.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 8 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 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 21 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 31 1 0 0 0 0 27 28 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 28 29 1 0 0 0 0 28 40 1 0 0 0 0 28 41 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 42 1 0 0 0 0 M CHG 1 4 1 M END