IBS-ZINC05047159 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 0 0 0 0 0 0999 V2000 -0.4670 1.9210 0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 0.4130 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 -0.1360 1.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 -1.6470 1.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -1.8220 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4940 -0.3110 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -3.8220 1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1530 -4.4890 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9960 -5.9830 1.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 -6.4890 1.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2190 -6.6330 1.4320 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4430 -8.0200 1.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 -8.9610 1.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7370 -10.3170 1.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0620 -10.7560 1.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0810 -9.8220 1.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7720 -8.4620 1.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2180 -12.1060 2.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5480 -12.6160 1.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4750 -14.1120 2.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4750 -14.6800 3.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3840 -16.0640 3.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2850 -16.8910 2.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2710 -16.3350 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3610 -14.9520 1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 2.4390 0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 2.3160 -0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 2.1690 1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 0.2290 -0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 0.3320 1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 0.1240 2.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 -1.9510 0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 -2.0230 2.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 -2.3070 -0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 -2.1270 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3440 -0.0600 0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7560 0.0340 -1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 -4.0450 2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 -4.1480 0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7950 -4.0970 2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6530 -4.3230 0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0520 -6.0660 1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3790 -8.6810 1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9330 -11.0390 2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1270 -10.1090 1.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5920 -7.7600 1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1410 -12.1850 2.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0380 -12.3830 1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5400 -14.0470 4.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3870 -16.4970 4.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2120 -17.9670 2.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1850 -16.9800 0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3370 -14.5330 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9050 -2.3070 1.1860 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6360 -2.0150 1.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 4 54 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 5 54 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 7 54 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 42 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 43 1 0 0 0 0 14 15 1 0 0 0 0 14 44 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 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END