IFLAB-ZINC04159872 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 1 0 0 0 0 0999 V2000 0.3830 1.9190 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 0.5700 0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 -0.2970 0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 0.1880 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6640 1.5390 -0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 2.4020 -0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6710 -0.7680 -0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 -1.9180 -0.7270 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9220 -0.2330 -0.1790 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1510 -0.8980 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3320 -0.1850 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5320 -0.8650 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6860 -2.1420 -0.5760 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4920 -2.7260 -0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2530 -2.1910 -0.7110 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4950 0.0470 0.1580 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8510 1.2260 0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5420 1.1220 0.3310 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9260 -0.1870 0.2240 C 0 0 3 0 0 0 0 0 0 0 0 0 11.1290 -1.1880 -0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5620 0.0350 1.6130 C 0 0 3 0 0 0 0 0 0 0 0 0 11.2140 1.0020 2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0180 0.2340 1.1820 C 0 0 3 0 0 0 0 0 0 0 0 0 13.5130 -0.7170 0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8920 1.0650 -0.0900 C 0 0 3 0 0 0 0 0 0 0 0 0 13.6430 0.7600 -0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5910 0.7600 -0.6620 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9800 2.5760 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8950 3.2360 -1.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1730 2.7870 -1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7610 0.8530 2.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4400 0.3740 3.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4880 -1.0360 2.3840 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4580 2.5930 0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 0.1940 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 -1.3490 0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5760 1.9350 -1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 3.4510 -0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0180 0.7260 0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5310 -3.7650 -1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3890 2.1200 0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1530 2.9460 0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9280 2.8670 0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 33 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 31 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 29 30 1 0 0 0 0 31 32 1 0 0 0 0 M CHG 1 33 -1 M END