PUBCHEM-ZINC01194902 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 0.7810 0.8220 -1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 0.4090 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -0.5280 -0.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8190 -0.9950 0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6530 -0.6160 1.8230 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8350 -1.9160 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 -3.2360 0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4710 -4.1520 -0.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7820 -3.8700 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6900 -4.9330 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0140 -4.7100 0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4890 -3.3920 0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8510 -3.1220 0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2740 -1.8330 0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3750 -0.7730 0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0490 -0.9960 0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5750 -2.3140 0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2110 -2.5800 0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2450 -1.4320 0.1990 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4750 -0.6900 0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3820 -0.8000 -1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7570 -1.5700 -2.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8820 -0.9910 -3.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6320 0.3590 -3.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2570 1.1290 -2.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1370 0.5500 -1.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7400 1.3760 -0.1630 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.5470 2.5700 -0.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 0.8610 0.9330 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2360 -3.6410 0.4570 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 1.5360 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2450 -0.0590 -1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 1.2820 -1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -0.0520 0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 1.2900 0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3310 -5.9480 0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6980 -5.5420 0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5590 -3.9340 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3220 -1.6280 1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7370 0.2410 0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3650 -0.1640 0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9520 -2.6250 -2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1750 -1.5930 -4.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7290 0.8120 -4.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0620 2.1830 -2.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 -3.0030 0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 -4.5670 0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 11 2 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 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 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END