PUBCHEM-ZINC05633370 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 48 0 0 1 0 0 0 0 0999 V2000 0.4500 0.7730 -0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 -0.6070 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -1.0980 1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 -0.6240 0.0500 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0510 -0.1470 -0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1150 -2.1170 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5300 -2.5520 1.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2370 0.0870 1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4630 1.4420 1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2800 2.2130 0.3230 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9910 1.9710 2.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7450 1.3410 3.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2460 1.8910 4.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9920 3.0710 4.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2420 3.7040 3.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7280 3.1620 2.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0120 4.9670 3.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7580 5.7700 2.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9910 5.1380 4.5620 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8180 6.3500 4.7070 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.2640 7.1950 4.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1870 6.1880 3.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0500 7.4510 4.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0330 5.8540 2.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0740 6.6100 6.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2640 5.5580 6.9100 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 0.7120 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 1.1640 -1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 1.4950 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 -1.2880 -0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 -0.4500 2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -2.1170 1.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6130 -1.1110 1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4950 -0.5490 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1420 0.4400 3.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 1.4050 5.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3420 3.4930 5.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9080 3.6660 1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2070 4.4290 5.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7380 5.3600 4.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5240 8.3300 3.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9850 7.3420 3.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3280 7.6470 5.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5550 4.8800 2.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0120 5.8010 2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4390 6.6130 1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 -2.7050 -1.0800 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.0320 7.8180 6.5880 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 47 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 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 36 1 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 38 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 39 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 25 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 M CHG 1 47 -1 M CHG 1 48 -1 M END