OTAVA-ZINC05237996 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 1 0 0 0 0 0999 V2000 0.0320 1.5190 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 0.0120 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -0.6720 1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -2.0780 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -2.7200 2.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -2.7030 -0.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -3.6720 -0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -1.9680 -1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -0.6490 -1.1590 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -2.7920 -2.7530 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -1.3640 -3.8640 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8460 -0.7230 -3.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -0.5740 -3.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -1.8380 -5.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -2.9800 -5.5780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 -0.9920 -6.2380 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 -1.3950 -7.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -2.3900 -8.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 -2.7850 -9.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 -2.1920 -10.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5160 -1.2020 -9.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -0.8060 -8.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4430 0.2690 -7.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2330 0.7040 -9.0590 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.2650 -0.2460 -6.9810 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7060 1.3460 -7.4860 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 1.8930 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 1.8800 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4710 1.8750 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -0.1420 2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 -1.2140 -3.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 0.2860 -4.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 -0.2310 -2.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 -0.1040 -5.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 -2.8530 -7.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 -3.5580 -9.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 -2.5030 -11.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2040 -0.7400 -10.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 30 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 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 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 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 M END