PUBCHEM-ZINC00329728 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 0 0 0 0 0 0999 V2000 2.3450 5.6490 1.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4320 6.5250 1.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2890 6.5310 0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0950 5.7060 -0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0210 4.8360 -0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1370 4.8290 0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 3.8960 0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 2.7110 0.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 4.3850 0.2790 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 3.4110 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8410 3.1070 1.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 3.7390 2.2220 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.4840 4.4710 1.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1130 3.2610 3.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8770 3.5710 4.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1810 2.3280 3.6580 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 1.7900 4.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 2.2110 2.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 1.5010 2.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 5.7970 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 6.2540 -1.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 7.7830 -1.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2650 8.2940 -2.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 7.5970 -3.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0380 6.0810 -3.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 5.5600 -2.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1360 5.9890 -1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1050 6.7970 -0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3890 7.3430 0.5310 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6630 5.6090 2.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6080 7.1760 2.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 4.1920 -1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 3.7980 -0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 2.4850 -0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6650 5.9630 0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 6.4120 0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 6.0050 -1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4940 8.0790 -1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 8.2700 -0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4380 9.3750 -2.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 8.1280 -3.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 7.8760 -3.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 7.9390 -4.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7550 5.6080 -4.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 5.7920 -4.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 4.4790 -2.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 5.7140 -2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6080 5.0940 -1.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7230 6.6030 -2.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9100 6.1600 -0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5660 7.6140 -1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 18 2 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 M CHG 1 12 1 M END