PUBCHEM-ZINC05738076 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 2.5550 0.4530 0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6700 -0.7530 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5100 -1.6220 1.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 -2.7690 1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -3.0660 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 -2.2030 -1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 -1.0580 -0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 -2.5590 -2.2370 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 -1.9030 -3.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 -2.6630 -4.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 -4.0800 -4.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 -4.7330 -5.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 -3.9900 -7.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8340 -2.5970 -7.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 -1.9230 -5.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 -0.5880 -5.8690 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 0.0440 -4.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 -0.5530 -3.5030 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 1.5430 -4.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 2.0020 -5.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6060 3.9210 -5.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7250 5.4340 -5.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8960 6.1170 -6.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5160 5.7920 -5.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 4.2970 -6.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6850 -4.1760 -0.1490 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -5.0730 0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5810 0.1930 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 1.2610 -0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 0.8390 1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0030 -1.4140 2.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 -3.4120 2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -0.3950 -1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 -3.4430 -2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 -4.6920 -3.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 -5.8190 -6.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 -4.4890 -8.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -2.0220 -7.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4090 1.9410 -3.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 1.8910 -5.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1760 1.7420 -6.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7790 1.5540 -4.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1900 3.3930 -4.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9090 3.6060 -6.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7580 5.7460 -5.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4530 5.7460 -4.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 6.3630 -6.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1930 6.1140 -4.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5590 3.9810 -7.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 4.0460 -5.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5200 -5.8860 0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -5.5140 1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 -4.5790 1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 3.5070 -5.0780 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8710 3.7620 -4.1190 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 54 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END