IBS-ZINC04090544 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 62 0 0 1 0 0 0 0 0999 V2000 -0.0110 1.5200 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -0.0100 0.0030 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5140 -0.3640 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -0.5090 1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 -0.3420 1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8350 -0.7700 2.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1740 -1.3710 3.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 -1.5380 3.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -1.1130 2.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4080 -1.3550 2.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 -0.4430 1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -0.5110 0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9420 -1.0140 -1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0520 -1.5110 -1.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2260 -0.9640 -2.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8330 -1.3760 -3.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 -1.3250 -4.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7400 -1.7510 -5.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 -1.7020 -7.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 -1.2290 -7.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 -0.8050 -6.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 -0.8450 -4.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 -0.3440 -6.0870 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7400 0.0750 -4.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 -1.1830 -8.3930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 0.0200 -9.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6700 -2.1160 -8.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0130 -2.5890 -8.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8740 -1.7920 4.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1280 -2.3990 5.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1840 -0.6050 2.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7920 0.0190 1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 1.8940 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 1.8820 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 1.8750 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 0.1250 0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -2.0030 4.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6030 -2.3950 2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7990 -1.1600 3.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1380 -0.7820 1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 0.5820 1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 -0.5970 -2.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 -1.7420 -3.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7560 -2.1180 -5.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.5110 -3.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7590 0.4180 -5.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 0.8890 -4.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7540 -0.7630 -4.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -0.0750 -10.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 0.1960 -9.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 0.8580 -8.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0390 -3.4460 -7.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6450 -1.7950 -7.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3790 -2.8870 -9.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6160 -3.2830 5.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8060 -2.6880 6.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 -1.6890 5.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8680 0.0890 1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5920 -0.5740 0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3780 1.0190 1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 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 44 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 31 32 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 M END