IBS-ZINC04739746 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 0.5070 1.2230 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -0.1590 0.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0930 -0.4990 -0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9640 0.2740 -0.5650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 -1.9850 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6840 -2.3240 0.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3320 -2.7390 -1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8270 -2.8460 -2.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7480 -3.0530 -0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5510 -3.5170 -1.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9060 -3.9170 -1.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8540 -4.1790 -2.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0440 -4.6010 -1.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7720 -4.6060 -0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5070 -4.1570 -0.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5400 -4.9340 0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8190 -4.3640 0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5930 -4.6020 1.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0980 -5.4100 2.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8360 -5.9900 2.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0480 -5.7750 1.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7260 -6.4910 1.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4900 -7.1430 0.5010 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.0740 -2.7280 0.8920 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4290 -2.2280 1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0440 -1.8460 2.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5650 1.3810 0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 1.4930 -1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 1.8510 0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 -2.5360 -0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8400 -2.2340 1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1520 -3.6290 -2.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6930 -4.0880 -3.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9730 -4.8980 -2.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2110 -3.7070 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5760 -4.1490 2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6910 -5.5940 3.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4540 -6.6270 3.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9750 -6.4320 2.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 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 21 2 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 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 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 39 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 M CHG 1 23 -1 M END