IBS-ZINC05026852 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.4120 1.1590 -2.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 -0.2140 -2.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -1.1990 -2.5020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -2.4800 -2.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 -3.4880 -2.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 -4.7890 -1.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -5.0970 -2.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5050 -4.0790 -2.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 -2.7820 -2.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0790 -6.4850 -2.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 -7.0420 -3.0470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -7.2200 -0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 -8.5840 -0.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 -8.9420 0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 -10.0490 1.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -7.8610 1.2560 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -6.7140 0.3490 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8620 -6.3260 0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 -5.6350 0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 -4.3340 0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 -3.5290 1.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6680 -4.1770 2.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 -5.9000 1.8070 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -7.8330 2.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 -8.2020 2.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1640 -9.5430 2.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5180 -9.9520 1.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5490 -11.4320 1.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1120 -12.2230 2.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5600 -9.3430 -1.5030 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 1.1380 -3.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 1.4080 -1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 1.9110 -3.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.4620 -3.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 -0.1920 -2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 -3.2490 -1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -5.5700 -1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 -4.3110 -2.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 -1.9970 -2.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2090 -3.9380 0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5040 -2.4580 1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4900 -3.7140 2.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -8.5490 3.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 -6.8320 3.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4710 -8.1220 3.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5410 -7.5220 1.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0870 -9.8040 2.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9580 -9.3570 1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5660 -11.7150 1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8870 -11.5990 0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1070 -13.1740 2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0620 -7.9570 -2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 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 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 52 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 30 2 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 M END