PUBCHEM-ZINC03024600 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 1.0350 1.0310 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 -0.4860 0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -1.0560 1.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3390 -2.5820 1.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8650 -3.1530 2.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 -4.6900 3.0430 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3970 -5.1210 2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2810 -5.1990 4.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 -5.7200 5.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 -6.0770 6.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 -6.6430 7.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3650 -6.8710 8.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6420 -6.5450 8.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8320 -5.9830 6.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -5.7610 6.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5940 -5.2340 4.7530 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3770 -4.9220 4.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -5.8480 5.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 -4.9630 4.1490 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2930 -3.9200 4.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 -5.2150 2.9440 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 -6.0240 1.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 -6.6800 1.9630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7970 -6.1440 0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0210 -4.9610 3.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6690 -5.7250 4.7380 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 1.3530 0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 1.4170 -0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 1.4830 1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 -0.7750 0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 -0.9050 -0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 -0.7610 1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8810 -0.6300 2.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 -2.8700 1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 -3.0020 0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9160 -2.8560 3.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3330 -2.6830 3.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -6.9010 8.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2360 -7.3060 9.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5020 -6.7290 8.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -5.7310 6.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2260 -6.9000 5.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4440 -5.5520 6.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6680 -6.7670 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -6.6190 -0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 -5.1610 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4580 -4.1160 3.1260 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 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 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 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 8 9 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 25 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 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 47 1 0 0 0 0 M CHG 1 47 -1 M END