PUBCHEM-ZINC05689194 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 0 0 0 0 0 0 0 0999 V2000 -0.6920 0.5680 0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 1.5550 2.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 3.0650 0.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5160 3.5550 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 4.2650 -1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0120 4.7600 -2.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3910 4.5690 -1.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8370 3.8760 -0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8960 3.3830 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1390 3.6060 -0.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1400 4.0910 -1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 5.4950 -3.3460 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3110 5.6280 -3.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 5.9360 -4.1310 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0870 -0.3190 1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 0.4640 0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 0.7350 -0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 1.5190 2.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 0.6200 3.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 2.3930 3.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 2.9340 0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 3.8120 1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 4.4330 -1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0940 4.9630 -2.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1170 5.1840 -1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0400 3.6370 -2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1150 3.8000 -1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 1.7460 1.5490 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9360 1.8350 1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3440 2.6870 1.1540 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3240 2.7310 1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 28 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 8 2 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 28 29 1 0 0 0 0 30 31 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M CHG 1 28 1 M END