PUBCHEM-ZINC03581157 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 0 0 0 0 0 0999 V2000 0.1480 1.6030 -0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 0.1640 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -0.1580 0.8510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -0.6570 -1.2410 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -2.0700 -1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -2.8380 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -4.2320 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -4.9010 -1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -4.1320 -2.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -2.7270 -2.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -1.9490 -3.7450 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 -2.3640 -4.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -3.4460 -5.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -1.2880 -6.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -1.6360 -7.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 -6.4150 -1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 -6.9590 -2.6220 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7960 2.0100 -1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8960 1.6740 -0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 2.1890 0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 -0.2020 -2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6490 -2.3830 0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 -4.8050 0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 -4.6660 -3.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 -0.9920 -3.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6330 -0.3340 -5.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8290 -1.1770 -6.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0820 -2.6000 -7.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 -7.0310 -0.3810 O 0 0 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 21 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 8 9 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 2 0 0 0 0 M CHG 1 17 -1 M END