IBS-ZINC04548562 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7120 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0970 1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.6980 -0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -1.9920 -1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.6670 -1.1420 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.6540 -2.3730 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 -1.8380 -3.7590 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 -2.7720 -4.8230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5810 -1.1310 -3.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 -0.6200 -4.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9870 -0.9310 -4.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9660 0.0180 -4.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 1.2950 -4.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 1.6030 -3.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 0.6460 -3.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7920 2.2440 -4.6350 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6570 3.4230 -4.1310 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6480 4.3920 -4.3380 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5070 5.7400 -3.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7630 6.0640 -2.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 5.8790 -3.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0870 4.4220 -4.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8490 4.0780 -5.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -2.9080 2.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -0.1950 2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 -3.5950 -2.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0970 -1.9200 -5.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8420 -0.2260 -5.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5710 2.5890 -3.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1670 0.8840 -2.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3970 6.4660 -4.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6320 5.7740 -3.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7150 7.0960 -2.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8230 5.3940 -2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9280 6.5320 -4.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8940 6.1330 -3.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9810 4.2860 -4.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1350 3.7680 -3.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8580 3.0160 -5.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 4.6660 -6.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 -3.1170 2.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -3.8460 2.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 -2.3460 3.1910 H 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 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 M END