PUBCHEM-ZINC06199998 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 53 0 0 1 0 0 0 0 0999 V2000 0.6610 1.1630 -1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4180 -0.2880 -0.8700 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7290 -0.9340 -1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -0.6420 0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 -2.0230 0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8540 -2.7060 1.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5430 -4.0060 2.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 -4.7770 3.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 -6.0500 3.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 -6.5760 3.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 -5.8230 2.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 -4.5510 1.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5810 -3.8940 1.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 -2.6490 0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 -1.9750 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 -2.6520 -0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5480 -2.0970 -1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4240 -1.2100 -0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5030 -0.6600 -1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7220 -0.9950 -2.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8670 -1.8840 -3.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7610 -2.4500 -2.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9250 -3.3380 -3.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1730 -3.6550 -4.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2620 -3.0940 -5.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1020 -2.2140 -4.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 -0.5340 -0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1490 -2.0470 2.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0630 -1.0050 2.8340 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7210 1.3340 -1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 1.4100 -2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 1.8590 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3070 -0.5720 0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 0.0830 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3640 -4.3870 3.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 -6.6230 4.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 -7.5670 3.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 -6.2400 1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5730 -3.6950 -0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2620 -0.9450 0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1750 0.0280 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5740 -0.5540 -3.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0610 -3.7920 -2.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5140 -4.3410 -5.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4590 -3.3390 -6.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9490 -1.7860 -5.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 0.1100 0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 -0.2410 -1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2150 -2.5880 1.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 14 2 0 0 0 0 6 7 2 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 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 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 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 2 0 0 0 0 M CHG 1 29 -1 M END