IBS-ZINC04981083 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.1290 1.7620 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 0.6960 0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0170 -0.1690 1.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4220 -1.2340 1.6340 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0310 -0.4360 0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2340 0.5160 -0.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3220 -0.7890 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -0.2030 2.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 0.5150 2.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -1.1020 3.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -0.7380 5.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 -1.9500 5.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 -1.9540 7.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 -3.0500 5.1340 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -2.6130 3.7340 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8300 -2.9800 3.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 -3.1130 3.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 -3.5020 1.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5230 -3.9560 1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6460 -4.0060 2.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5890 -3.6280 3.3050 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4710 -3.1860 3.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -4.4370 5.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5080 -4.9300 5.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5270 -6.3790 6.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5180 -6.9290 4.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9940 -8.1480 6.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 0.5360 5.5220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 1.3590 -0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 2.6100 -0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 2.0890 1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1380 -0.2130 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2390 -0.5550 -1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5210 -1.8530 -0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 -3.4520 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5760 -4.2660 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5810 -4.3590 1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4640 -2.8810 4.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 -5.0640 4.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 -4.4920 6.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 -4.3040 6.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9640 -4.8760 4.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9660 -7.0050 5.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 -6.4340 7.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9460 -7.6210 4.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5100 -5.9400 4.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5460 -7.2820 4.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6050 -8.0460 7.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4030 -8.8840 6.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0330 -8.4760 6.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 0.6070 6.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9160 -6.8520 6.2470 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 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 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 52 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 52 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 52 1 0 0 0 0 28 51 1 0 0 0 0 M END