IFLAB-ZINC04356941 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 1 0 0 0 0 0999 V2000 1.0420 1.2600 0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -0.1380 0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -0.9570 1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 -2.1920 0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 -2.0690 -0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -0.8050 -0.7150 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -3.0590 -1.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -2.8450 -2.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 -1.5970 -3.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 -0.5290 -3.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 -1.8370 -5.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -3.1540 -5.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -3.8380 -6.9750 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 -4.1740 -4.0290 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 -0.6730 -5.9760 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2520 0.2300 -5.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8890 -0.4650 -6.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 -0.4790 -6.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5420 -0.7750 -5.2930 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6750 -0.6380 -6.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5820 -1.2580 -5.9980 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1190 1.3060 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 1.8450 -0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 1.7280 1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -0.7010 2.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 -3.0790 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -4.0810 -1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -1.1840 -7.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 0.5170 -7.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1880 -0.1950 -7.4000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.7800 0.0220 -7.7060 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 19 2 0 0 0 0 18 30 1 0 0 0 0 20 21 2 0 0 0 0 20 31 1 0 0 0 0 M CHG 1 30 -1 M CHG 1 31 -1 M END