PUBCHEM-ZINC06763141 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 26 0 0 1 0 0 0 0 0999 V2000 -0.0450 1.5270 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 0.0040 -0.0080 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9980 -0.4150 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 -0.4930 -1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9740 -0.9960 -1.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 -0.3100 -2.4190 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -0.6630 -3.7030 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2820 -1.6900 -3.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 0.2870 -4.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 -0.5810 -4.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2490 -0.0960 -4.5130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 -0.5150 1.2080 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -0.5270 2.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1190 -0.1000 2.6550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 -1.1150 3.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9610 1.9580 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 1.9120 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 1.9010 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 0.0770 -2.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 1.3190 -4.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8230 0.2710 -3.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5260 0.0170 -4.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 -0.8920 1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7330 -0.4640 3.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -1.2040 4.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -2.1080 3.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 -1.0080 -5.9860 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 M CHG 1 27 -1 M END