IBS-ZINC04548510 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3710 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 -0.5510 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 0.7370 -0.0170 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 1.9580 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -1.9840 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8320 -2.4070 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 -3.8460 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4590 -4.2990 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6880 -5.6600 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6570 -6.4930 -0.0650 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4120 -6.0400 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1420 -4.7440 -0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -6.9460 -0.0450 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -8.5370 0.3150 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3880 -9.1900 0.2710 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7590 -8.9360 -0.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 -8.6040 1.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -8.7520 3.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6770 -8.8050 4.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0300 -8.7090 4.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9580 -8.5600 3.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5340 -8.5140 2.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4550 -8.7620 5.9550 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 1.9370 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 -0.6010 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3550 3.0250 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 -2.7030 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 -1.6880 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 -3.5990 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6980 -6.0430 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 -6.6490 -0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 -8.8260 2.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 -8.9200 5.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0100 -8.4860 3.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2560 -8.4030 1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8060 -8.8650 6.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -8.6950 6.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 27 1 0 0 0 0 6 7 2 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 M END