IBS-ZINC05049231 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -0.3810 2.0790 -1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 1.0230 0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 3.5380 0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8430 3.7820 1.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7360 5.2130 2.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 5.5320 3.3330 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6030 5.6580 4.7740 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8830 6.4710 4.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9810 6.0710 5.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8500 6.1130 4.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1050 5.7660 2.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6090 5.7350 1.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1660 6.4560 4.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3490 6.3460 6.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3170 5.8240 7.1300 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4630 7.2290 7.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9190 8.3890 6.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 9.1920 7.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7880 8.8420 8.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3450 7.6920 9.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1890 6.8900 8.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1430 7.2410 10.7470 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 8.0400 11.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 4.3890 5.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1230 4.4620 6.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 3.2980 7.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 2.0960 6.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3470 2.1080 5.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7380 3.2180 5.1390 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 1.1150 -1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 2.1550 -1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 2.8900 -1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 1.1060 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 0.1000 0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 1.0440 1.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 4.2890 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 3.5630 1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8610 3.5900 1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6630 3.0830 2.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7670 5.3890 2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 5.9140 1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4780 6.3760 3.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1510 8.6930 5.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 10.1000 7.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 9.4950 9.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6280 5.9970 9.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7520 9.0370 11.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 7.5540 12.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 8.1000 11.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 5.4050 6.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 3.3320 7.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 1.1770 7.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8720 1.1970 5.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0840 2.1860 0.0990 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0930 2.1190 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 54 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 54 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 13 42 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 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 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END