PUBCHEM-ZINC05167363 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 0 0 0 0 0999 V2000 -0.1660 1.4760 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 0.0480 -0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 -0.2920 -1.5410 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 -0.8320 0.3760 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2330 -0.5100 1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 -2.2580 0.1560 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2270 -2.6080 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6370 -2.6280 -1.1020 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5530 -2.0260 -1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9990 -4.1120 -1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6100 -4.5230 0.2370 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5700 -4.0040 0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6710 -4.1630 1.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 -6.0300 0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3110 -6.7820 -0.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 -2.3780 -2.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -1.5480 -2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 1.9930 -0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 1.9650 -0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 1.5350 1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6920 -4.3290 -1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0980 -4.7020 -1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1220 -4.4260 2.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 -4.7300 1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 -2.7260 1.4090 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 -2.5550 2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6140 -6.3390 1.3630 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 16 17 1 0 0 0 0 25 26 1 0 0 0 0 M CHG 1 27 -1 M END