PUBCHEM-ZINC06186181 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 1 0 0 0 0 0999 V2000 -0.4310 1.9040 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 0.4330 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0190 0.0110 -0.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -0.3550 0.4150 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 -1.8200 0.4580 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2480 -2.1160 0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 -2.4800 -0.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 -2.1620 -2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5880 -2.6890 -2.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9590 -2.1420 -3.6060 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8160 -2.3460 -4.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9960 -1.2660 -4.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -1.2640 -3.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 -0.4450 -3.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 0.3430 -4.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 0.3220 -5.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 -0.4850 -5.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 -2.3250 1.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -1.5890 2.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 -3.6830 1.9620 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -4.3600 3.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 -5.8510 2.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 -6.2970 2.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -6.6180 3.9220 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 -8.0720 4.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 -8.6680 5.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 -7.8050 5.8320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 2.4770 0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8830 2.1730 -0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 2.1520 1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 0.0960 0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 -2.2070 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 -3.5720 -0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2300 -3.4050 -1.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 -0.4210 -2.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 0.9750 -4.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 0.9400 -6.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7600 -0.5020 -5.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1930 -4.2730 1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 -4.1800 3.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 -3.9650 4.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 -6.2310 4.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 -8.3080 4.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 -8.4990 3.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 -9.9200 5.3000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 18 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 M CHG 1 45 -1 M END