PUBCHEM-ZINC04605700 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 52 0 0 0 0 0 0 0 0999 V2000 -0.1290 1.5780 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 0.0530 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -0.5590 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -0.5210 -1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 -0.2370 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7980 0.1890 -0.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -0.5080 -2.3360 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4930 -0.1270 -2.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3290 -1.0920 -1.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6900 -1.7880 -0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1350 -1.2930 -0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2610 -0.1800 0.0550 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4600 0.9260 -0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9790 0.5500 -0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5860 -1.1110 -3.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2350 -0.0450 -4.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8810 0.9960 -4.7150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 -0.4410 -5.4500 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 0.2630 -6.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 -0.2350 -7.2010 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 0.6620 -8.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 1.8330 -8.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 1.8090 -6.9700 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 2.0490 -0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 1.8890 -1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 1.9750 0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 -0.2050 0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9590 -0.3370 -1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3790 -1.6480 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0260 -0.1680 0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -1.6120 -1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 -0.1220 -2.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -0.0760 -3.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 0.8870 -1.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9560 -1.1960 -0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3260 -2.0830 -1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5780 -2.5990 -1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3380 -2.1050 0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7840 -2.0910 -0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4970 -1.0070 -1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6190 1.7430 0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8060 1.2680 -1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6240 0.2430 0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3790 1.3810 -0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3650 -1.7620 -3.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7140 -1.7370 -3.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 -1.3360 -5.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5210 0.4090 -8.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 2.6720 -8.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7810 -0.6450 -1.3330 N 0 3 0 0 0 0 0 0 0 0 0 0 7.0790 -0.3670 -2.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 9 50 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 10 50 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 50 1 M END