IBS-ZINC04812522 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 0 0 0 0 0 0999 V2000 1.8470 -0.7470 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 -1.9600 0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4660 -1.7420 0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 -2.9660 0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7180 -2.7570 0.2940 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1860 -3.1230 -0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 -3.5930 -1.8510 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6290 -2.8940 -1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1860 -3.1750 -2.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5700 -3.6810 -3.5020 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1690 -3.9080 -4.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3600 -2.5750 -5.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6980 -1.4550 -7.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1320 -1.6820 -9.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4690 -2.1870 -9.2610 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5810 -3.4460 -8.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2210 -3.3200 -7.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4880 -2.3300 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6900 -2.1310 -0.2820 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8290 -2.0260 1.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4980 -2.1970 1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0680 -1.8500 2.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9050 -0.9250 0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7520 -0.5330 -0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 0.1400 0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 -2.8360 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 -2.1660 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 -0.8600 0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 -1.5270 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9430 -3.8470 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1650 -3.1770 1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2490 -2.9970 -2.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5730 -3.9070 -3.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5090 -4.5610 -5.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1210 -4.4340 -4.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1020 -1.9380 -5.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4070 -2.0340 -5.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6550 -1.1260 -7.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3510 -0.7350 -7.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1110 -0.7330 -9.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4580 -2.3760 -9.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6180 -3.7840 -8.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9430 -4.1830 -9.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8860 -2.6170 -6.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2480 -4.2980 -6.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3890 -1.6250 1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8050 -2.7660 -6.9740 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.1610 -3.4320 -7.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 12 47 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 47 1 0 0 0 0 18 19 2 0 0 0 0 18 20 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 47 48 1 0 0 0 0 M CHG 1 47 1 M END