IBS-ZINC04026529 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 51 0 0 1 0 0 0 0 0999 V2000 0.3140 1.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 -0.0610 0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1130 -0.5520 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2830 0.2080 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5450 -0.4020 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5950 -1.8000 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4450 -2.5890 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1890 -1.9520 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8730 -3.9430 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2610 -3.9460 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6820 -2.6480 0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6380 -2.3270 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0810 -5.1790 0.0760 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.2540 -5.4320 -0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4090 -5.3840 0.8300 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.1570 -5.5130 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9780 -4.2780 1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4210 -4.2700 3.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6950 -5.6110 3.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9810 -6.7260 3.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2830 -6.7720 1.5350 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.2120 -7.3390 1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1270 -7.4550 0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 -6.4640 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0530 -5.2040 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3850 1.5770 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 1.7830 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 1.8090 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 1.2940 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4490 0.1990 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -2.5400 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8730 -3.2930 1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0640 -4.4350 1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3450 -4.0590 3.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9010 -3.4720 3.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3510 -5.5850 4.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7740 -5.8090 3.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9060 -6.6150 3.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2530 -7.6920 3.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6180 -8.2340 1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4120 -7.8210 -0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2020 -6.6000 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4190 -7.3610 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 -5.1540 -0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 -5.2880 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2010 -6.2990 0.6170 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.9020 -5.9960 1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 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 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 46 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 46 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 46 1 M END