PUBCHEM-ZINC04830661 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 33 0 0 1 0 0 0 0 0999 V2000 -0.0140 1.3160 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -0.0050 0.0740 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 -0.6770 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3510 0.0500 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 1.4530 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 2.0380 0.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5760 1.8990 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3840 0.8020 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6640 -0.2820 -0.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0120 3.2980 -0.0180 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3790 3.8930 -0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 3.8670 1.4170 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4050 4.7750 1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4280 3.6770 1.9270 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9560 4.4340 2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 2.9790 2.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1650 3.0320 0.7330 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1750 1.9470 0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3930 3.3950 -0.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5940 3.5700 0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2750 2.9460 -0.5020 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6700 3.5840 -1.3390 N 0 3 0 0 0 0 0 0 0 0 0 0 9.0650 4.2220 -2.1750 N 0 5 0 0 0 0 0 0 0 0 0 0 1.1570 -2.0610 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 1.8220 0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4630 0.8290 -0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5670 4.6500 0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1330 3.3360 1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3210 -2.5510 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5400 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 8 26 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 27 1 0 0 0 0 20 28 1 0 0 0 0 21 22 2 0 0 0 0 22 23 2 0 0 0 0 24 29 1 0 0 0 0 24 30 1 0 0 0 0 M CHG 1 22 1 M CHG 1 23 -1 M END