PUBCHEM-ZINC05979250 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 1.7880 -1.0700 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 -1.3390 0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 -0.0710 -0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 0.4410 -2.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1760 0.0430 1.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5050 1.5150 1.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4330 1.6520 2.9230 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0460 2.0390 4.2710 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6560 3.0610 4.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3770 2.0150 4.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5310 2.2150 6.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 3.2400 7.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0610 2.9170 8.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 3.8790 8.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 5.1080 8.3030 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 5.3980 7.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5420 4.5080 6.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2560 1.5050 7.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3780 1.6710 4.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7050 1.5290 4.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7860 1.4260 2.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4220 1.0740 1.8340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0070 1.1220 4.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 1.3320 5.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 0.0670 5.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -0.8330 5.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -0.2050 4.9020 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4350 -1.9530 1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 -0.2340 0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 -0.8360 2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8410 -1.5890 -0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 -2.1610 0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0460 0.6010 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5890 -1.0830 -1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 1.4460 -1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 -0.2110 -2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 0.4940 -3.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 -0.3760 2.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0730 -0.5730 1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 2.0880 2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 1.9710 0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1810 1.9420 8.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 3.6850 9.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 6.4030 6.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0570 4.8160 5.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1200 1.2230 3.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 2.2830 5.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7150 -0.1600 6.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 -1.8990 5.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 -0.0970 0.2660 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2990 0.7140 0.2180 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 31 1 0 0 0 0 2 32 1 0 0 0 0 2 50 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 50 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 5 50 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 10 11 1 0 0 0 0 10 19 2 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 17 2 0 0 0 0 13 14 2 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 50 1 M END