IBS-ZINC05346882 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 61 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2750 -0.0220 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0760 -4.6410 1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 -4.7510 -0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5200 -4.6990 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6620 -5.1320 -0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 -5.6210 -2.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3610 -5.6740 -2.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -5.2380 -2.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -5.2940 -2.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 -5.2620 -1.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 -4.7860 -0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4120 -4.7740 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5280 -5.2470 -0.6930 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4010 -5.7060 -1.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2610 -5.7110 -2.5660 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8340 -5.2540 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5520 -3.9310 -0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4790 -2.6040 0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8110 -2.6420 1.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6520 -3.6440 0.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0820 -4.9560 0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7520 -4.9410 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7080 -6.0470 -2.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 -4.3190 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6160 -5.0890 -0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2990 -6.0550 -3.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2750 -6.0770 -2.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4330 -6.0790 -0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6960 -5.3770 1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9530 -3.1060 0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6900 -3.8080 -1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6550 -2.3140 -0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8140 -1.8800 0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6300 -2.8790 2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3000 -1.6700 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9080 -5.2600 1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7650 -5.6580 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2860 -5.9250 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9320 -4.6900 -1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9030 -6.9850 -2.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -4.3240 1.2040 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7080 -3.9940 1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8620 -3.9380 0.3610 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 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 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 18 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 55 2 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 57 1 0 0 0 0 30 54 1 0 0 0 0 55 56 1 0 0 0 0 M END