PUBCHEM-ZINC06470896 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 1.0850 1.2560 1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 0.1490 0.1850 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5100 0.3530 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 0.0960 -1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3120 0.7390 -1.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 -1.1400 0.8660 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 -1.7620 1.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 -1.2820 1.6410 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2270 -1.6240 2.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2920 -1.1200 3.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 -2.5890 3.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 -3.6790 3.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -3.1090 2.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5140 -1.8070 0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4800 -2.9900 0.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4910 -0.8440 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1240 -0.6190 -1.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9700 0.4220 -2.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8840 1.8240 -2.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8630 2.2900 -2.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5180 1.2620 -3.5060 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9610 0.0710 -3.0530 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2290 3.6890 -3.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6970 4.5660 -2.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2470 4.2220 -1.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 2.7370 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2370 2.3530 -0.5110 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1400 1.0930 1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 2.2320 0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 1.2980 2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6150 -0.1880 1.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7260 -2.0360 4.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1920 -3.0330 4.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 -4.4410 3.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6360 -4.1870 2.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 -3.8120 1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 -2.9710 2.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4980 -1.2670 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4990 0.0970 0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 -0.3200 -1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2060 -1.5650 -2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7730 4.0000 -4.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3140 3.8060 -3.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7670 5.6240 -2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3410 4.4240 -1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5600 4.4750 -2.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9640 4.8090 -0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 -0.5650 -2.0870 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 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 48 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 31 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 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 22 2 0 0 0 0 19 20 2 0 0 0 0 19 26 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 M CHG 1 48 -1 M END