PUBCHEM-ZINC05572678 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 1 0 0 0 0 0999 V2000 -0.0070 0.8210 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4490 -0.6400 -0.2480 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0120 -0.8380 -1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7450 -1.6120 -0.1420 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3060 -1.3730 0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6880 -1.5560 -1.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7590 -3.0220 -1.8310 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1390 -3.1400 -2.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 -3.8480 -0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 -3.9380 0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 -3.1110 -0.1250 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5900 -3.3310 0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 -3.4800 -1.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3520 -0.8310 0.8750 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7200 -0.6500 0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -0.3040 -0.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4050 -0.9830 2.1270 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1950 -2.0460 2.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9350 -0.7490 2.1470 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4420 -0.9160 1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5170 -1.5810 3.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9760 -0.8550 4.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2220 0.3520 3.9550 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1030 1.1790 4.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0680 0.6660 2.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9090 -0.0780 3.2840 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4490 0.8330 2.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7640 -0.7500 4.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -1.2510 3.2860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 1.4960 -0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 1.0330 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 1.0740 0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6730 -1.1560 -1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 -0.9380 -2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4680 -3.3770 -0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 -4.8500 -1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -3.5500 1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2390 -4.9810 0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -4.5520 -1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -2.9160 -2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9610 -1.0960 1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2100 -2.6310 3.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6120 -1.5470 3.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3390 -1.5060 5.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 -0.5210 5.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 0.9400 2.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6300 1.4340 2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 -0.6940 5.3030 O 0 5 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 1 0 0 0 0 2 4 1 0 0 0 0 2 14 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 25 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 M CHG 1 48 -1 M END