IBS-ZINC05148539 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 2.2600 0.8520 1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 -0.1250 0.4740 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3480 0.4220 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 -1.1600 1.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 -2.1700 0.9250 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0320 -1.6550 0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 -2.8260 -0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 -1.7940 -1.2820 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8470 -0.8400 -0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3440 -2.3660 -2.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -2.1750 -3.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 -2.7680 -4.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2870 -3.4930 -4.7220 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9070 -3.6530 -3.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4540 -3.0990 -2.4490 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0620 -4.4140 -3.5170 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5830 -5.0300 -4.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8580 -5.8110 -4.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5410 -6.9010 -3.5470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 -2.6050 -6.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 -1.3610 -3.7030 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5030 -0.1630 -3.9140 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 -1.8890 -3.5340 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4620 -3.2420 1.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1490 0.3050 1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 1.5880 0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 1.3600 1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7510 -1.6800 1.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 -0.6590 2.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4320 -3.3520 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 -3.5350 -0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -0.1070 -1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7450 -1.3750 -0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5260 -4.5400 -2.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8360 -5.7100 -5.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8090 -4.2540 -5.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2940 -6.1950 -5.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5720 -5.1510 -3.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3040 -7.4410 -3.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 -2.0760 -6.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 -3.0210 -6.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 -2.7730 2.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 -3.9600 1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -3.7570 2.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 24 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END