OTAVA-ZINC01176616 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -1.2400 1.1200 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 -0.2260 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -0.7690 1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 -2.0100 1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -2.6990 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -2.1550 -1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 -0.9220 -1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3290 -0.2480 -2.5000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -0.0690 2.4300 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -0.7400 3.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -1.9530 3.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 0.0160 4.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -0.9750 6.0570 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0590 -1.6720 5.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 -1.7610 6.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7120 -1.4760 7.8290 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5950 -0.3630 7.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1260 -2.7120 8.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -0.9770 8.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 -0.2050 7.3470 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0910 0.7910 7.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0430 -0.0860 7.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3230 0.7760 8.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4040 1.2500 9.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5950 1.0220 9.1230 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8590 1.8980 10.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9930 1.9590 11.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2540 2.8250 12.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3770 3.6310 12.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2430 3.5720 11.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9830 2.7120 10.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9220 2.6530 8.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6520 4.5860 11.1610 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 1.9020 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0660 1.1580 -0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 1.2720 1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 -2.4350 2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 -3.6630 -0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -2.6960 -2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 0.8990 2.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 0.6540 5.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 0.6330 4.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 -2.8230 5.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 -1.3830 5.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 -1.8500 8.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -0.3250 9.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 0.3660 6.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 -1.0780 7.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3290 0.5920 8.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1150 1.3300 11.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5810 2.8720 13.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5800 4.3070 13.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6930 1.9060 9.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3880 3.6280 8.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3640 2.3830 8.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 2 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 30 2 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 M END