IBS-ZINC02138605 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 -0.4090 1.2700 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 1.2190 2.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6970 2.0170 3.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 2.0730 3.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7740 2.4340 4.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1510 2.5020 4.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9640 2.2080 3.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3870 1.8470 2.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0020 1.7780 2.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4240 1.3730 1.1140 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5200 0.2940 0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1610 2.0460 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5600 1.3280 -1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1300 0.0170 -1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5190 -0.7000 -2.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3420 -0.1160 -3.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7800 1.2040 -3.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3860 1.9220 -2.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6550 1.8310 -4.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9980 1.2030 -5.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7220 -0.8220 -4.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1780 1.5590 1.5030 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6900 0.2270 1.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2690 2.3470 4.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2370 3.1230 5.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9450 2.8250 5.9320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 0.1860 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 1.5440 -0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 1.7290 -1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 1.3280 2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 0.1670 2.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2970 1.5370 4.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 3.0300 3.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1420 2.6620 5.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3730 2.9900 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4890 -0.4430 -0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1800 -1.7170 -2.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7230 2.9380 -1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5430 -1.3190 -4.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8610 -0.4760 1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2670 0.0000 2.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3320 0.1420 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3210 4.1870 5.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0310 2.8090 6.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 1.7450 1.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0740 3.1000 -4.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6460 3.4680 -4.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 45 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 45 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 45 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 46 47 1 0 0 0 0 M END