IFLAB-ZINC04251661 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 0.0300 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4180 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0880 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5860 -0.6320 -0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7720 0.1640 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9810 -0.7370 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8390 -1.9410 -0.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2180 -0.2030 -0.0670 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3930 -1.0790 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6640 -0.2270 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8720 -1.1270 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8210 -1.0260 -1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0520 -2.2440 -0.7140 S 0 0 0 0 0 0 0 0 0 0 0 0 12.1370 -2.7820 0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0610 -2.0570 0.8020 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5310 -3.8770 1.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7180 -4.5880 1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0410 -5.6040 2.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1890 -5.8820 3.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0760 -5.1950 3.5030 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7290 -4.2150 2.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 -1.7600 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3040 1.9720 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 3.1680 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7800 0.7970 -0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7960 0.7880 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3320 0.7600 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3860 -1.7120 0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3690 -1.7030 -0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6710 0.4070 -0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6880 0.3980 0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8320 -0.3200 -1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3650 -4.3500 0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9480 -6.1740 2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4380 -6.6740 4.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8120 -3.6730 2.8730 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 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 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 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 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 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 24 41 1 0 0 0 0 M END