PUBCHEM-ZINC04678493 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 0.2220 1.4530 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -0.0070 -0.0070 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -0.8330 1.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -2.1050 0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -2.0600 -0.6910 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -0.8110 -1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -0.3850 -2.4090 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -1.3620 -3.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3030 -0.6440 -4.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 -0.4050 -5.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 0.2530 -6.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 0.6750 -7.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 0.4390 -6.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8730 -0.2180 -5.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0670 -0.4470 -4.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7330 -1.6720 -5.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 0.8540 -7.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8600 1.5270 -8.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -0.4130 2.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 -1.2700 3.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -0.8720 4.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 0.3740 5.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 1.2280 4.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 0.8400 2.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 2.5590 4.4790 N 0 3 0 0 0 0 0 0 0 0 0 0 1.5570 2.9010 5.6430 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8030 3.3120 3.5880 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2740 1.7360 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 1.8510 -0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 1.8590 0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -2.9980 1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 0.5610 -2.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -2.0540 -3.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 -1.9160 -3.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4330 -0.7340 -4.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5110 0.4370 -7.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 1.1880 -8.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0970 -2.5130 -4.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9380 -1.7070 -6.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6710 -1.7280 -4.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8510 1.8030 -8.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 0.8660 -9.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 2.4250 -8.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 -2.2420 3.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -1.5330 5.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 0.6810 6.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 1.5060 2.0380 H 0 0 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 6 1 0 0 0 0 3 4 2 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 32 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 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END