PUBCHEM-ZINC03622268 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 50 0 0 1 0 0 0 0 0999 V2000 -0.1420 1.1520 -0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -0.2870 -0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 -0.5280 1.1090 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0580 -0.1060 1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 -2.0210 1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 0.4470 2.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9800 0.7860 2.6910 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1360 1.7830 2.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6370 0.6850 4.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0060 1.0590 3.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8080 1.1000 5.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3920 0.7140 6.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2650 0.7830 7.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5750 1.2170 7.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 1.6000 5.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1290 1.5520 4.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6290 1.9790 3.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0850 3.4410 3.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7440 1.0550 2.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8150 0.3350 8.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5870 -0.1490 1.7770 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5550 -0.0500 1.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 1.8440 -0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5760 1.2320 -1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 1.4790 0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5860 -0.9310 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0550 -0.5770 -1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7210 -2.4460 0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 -2.2200 2.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -2.5640 1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3150 -0.4710 3.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 1.2610 3.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1390 1.3660 4.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5880 -0.3500 4.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3860 0.3490 6.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2770 1.2600 8.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0280 1.9360 5.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8130 1.9060 2.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2860 4.1020 3.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9610 3.6050 4.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3520 3.7530 2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4120 0.0110 2.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0350 1.3230 1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6400 1.1160 3.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9790 -0.7410 8.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3640 0.8610 9.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7510 0.5500 8.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 0.1790 1.3140 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8720 -0.3650 0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1020 1.0680 0.8020 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