PUBCHEM-ZINC03622271 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 50 0 0 1 0 0 0 0 0999 V2000 0.6810 1.9350 -0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 0.4680 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -0.1820 1.1660 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3550 0.4190 2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 -1.6070 1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8150 -0.6340 2.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2370 -0.0740 2.5580 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8810 -0.6550 1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8370 -0.0130 3.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1650 0.4930 3.8150 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 0.6220 4.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4850 0.3270 6.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3230 0.4900 7.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6330 0.9280 7.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0900 1.2260 5.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2540 1.0830 4.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7880 1.4180 3.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2020 2.8890 3.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9450 0.4950 2.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8370 0.1380 8.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1490 1.2510 1.9890 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0170 1.6730 2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7660 2.0600 -0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 2.3660 -1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 2.5110 0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 0.4040 -0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 -0.0860 -1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 -2.2460 0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 -2.0610 2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -1.6140 1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7850 -1.7240 2.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 -0.1760 3.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2520 0.6760 4.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8550 -1.0170 4.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4760 -0.0330 6.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3090 1.0430 8.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1160 1.5700 5.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 1.2650 2.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3710 3.5500 3.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0480 3.1280 3.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4980 3.1310 2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6450 -0.5570 3.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2600 0.6920 1.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8190 0.6320 3.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -0.9270 8.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3650 0.7200 9.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7700 0.3590 8.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 -0.2140 1.2460 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6060 -0.7630 0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6030 0.7420 1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 48 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 6 48 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 M CHG 1 48 1 M END