IBS-ZINC01451553 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 0.6310 1.0630 0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3850 0.3910 2.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 2.8400 1.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3700 3.3160 2.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2210 4.7830 3.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 5.2600 3.8060 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 5.3710 5.2600 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6890 6.1170 5.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8310 5.9190 5.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4710 6.0910 4.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5540 5.6670 3.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8450 5.6990 2.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7240 6.5640 4.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4560 6.1480 6.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6620 5.9660 6.9100 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6190 6.5400 7.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9010 6.5970 9.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7220 7.0420 9.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3390 7.2910 11.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 7.7380 11.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 7.9360 10.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 7.6940 9.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 7.2490 8.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 6.9550 7.6660 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 4.0570 5.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 3.8940 6.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 2.6820 7.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8030 1.6680 7.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9050 1.9070 6.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1190 3.0680 5.8250 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 0.0640 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 1.0890 0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 1.7900 -0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 0.4560 3.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 -0.5940 2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 0.5810 3.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 3.4710 1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 2.8480 2.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2820 3.1860 2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 2.7060 3.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 4.9430 3.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1230 5.3950 2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8460 6.5480 3.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8460 6.3350 9.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0350 7.1430 12.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 7.9340 12.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 8.2880 10.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 7.8450 8.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 4.6940 6.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 2.5350 8.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6820 0.7180 7.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6720 1.1510 6.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3700 1.4230 1.3850 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2970 1.3970 0.9380 H 0 0 0 0 0 0 0 0 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 1 53 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 53 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 41 1 0 0 0 0 5 42 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 25 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 43 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 17 44 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 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 29 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END