CHEMBRIDGE-ZINC01234979 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 64 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 1.2060 -0.6900 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 0.0150 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 1.4250 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0970 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7960 1.8480 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1920 2.9960 -0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5720 0.7490 -0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8260 -0.3700 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2530 -1.5070 -0.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9710 0.7680 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6810 -0.4260 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0590 -0.4100 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7410 0.8060 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0260 2.0040 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6480 1.9820 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2230 0.8260 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9170 2.0410 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3000 2.0100 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9220 0.8430 -0.1190 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2390 -0.2950 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9140 -0.3110 -0.0990 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9770 -1.5800 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3710 -1.5850 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0550 -2.7820 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3560 -3.9830 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9660 -3.9810 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2780 -2.7870 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0520 -5.1960 -0.1680 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4690 -6.4090 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2740 -6.6200 -0.1570 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5280 -7.4400 -0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5290 -8.8260 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7330 -9.5120 -0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9320 -8.8240 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9460 -7.4380 -0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7500 -6.7380 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3930 -5.3040 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1790 -4.3780 -0.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9020 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.5530 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 -1.7700 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 3.1770 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1520 -1.3680 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6100 -1.3390 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5520 2.9470 -0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0940 2.9090 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3850 2.9810 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8660 2.9300 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9150 -0.6520 -0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1350 -2.7860 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4250 -4.9160 -0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1980 -2.7860 -0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5950 -9.3690 -0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7340 -10.5920 -0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8630 -9.3700 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8860 -6.9060 -0.2130 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 41 1 0 0 0 0 2 3 2 0 0 0 0 2 42 1 0 0 0 0 3 4 1 0 0 0 0 3 43 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 44 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 12 1 0 0 0 0 10 11 2 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 30 39 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 38 2 0 0 0 0 34 35 2 0 0 0 0 34 55 1 0 0 0 0 35 36 1 0 0 0 0 35 56 1 0 0 0 0 36 37 2 0 0 0 0 36 57 1 0 0 0 0 37 38 1 0 0 0 0 37 58 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 M END