IBS-ZINC02325820 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 62 0 0 0 0 0 0 0 0999 V2000 -0.0740 -4.7780 8.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -5.2030 6.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -4.2670 5.8190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 -4.5260 4.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -5.4620 3.9170 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4390 -3.5280 3.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 -3.4150 2.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 -2.2670 2.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2100 -1.6190 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9960 -0.4720 1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1450 0.0460 2.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5260 -0.5680 3.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7520 -1.7120 3.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0670 -2.4880 4.4380 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 -2.3240 5.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5620 0.0390 0.2650 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3690 1.2010 0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 -4.3510 1.5620 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 -4.3800 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 -3.5540 -0.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 -5.6100 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -5.6100 -1.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 -7.0050 -3.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -8.4160 -4.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 -8.8690 -4.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 -9.9470 -4.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 -10.4000 -4.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7960 -9.7850 -3.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2340 -8.7200 -2.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9430 -8.2600 -3.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -7.0920 -2.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -3.7670 8.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 -5.4650 8.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 -4.7540 8.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -6.2070 6.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1850 -5.2020 6.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1270 -1.9950 0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7450 0.9300 2.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -0.1660 4.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7380 1.4760 -0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7830 2.0440 0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2390 1.0010 1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -5.0950 2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 -6.5030 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 -5.5980 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -4.7810 -2.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7050 -5.5380 -2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 -6.7900 -4.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -6.2420 -4.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -8.4440 -5.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -9.1230 -4.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -10.4400 -5.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5150 -11.2320 -5.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7960 -10.1370 -3.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8160 -8.2530 -1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8620 -6.1660 -2.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -7.2440 -1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -6.9000 -2.5100 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5900 -7.6830 -2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 18 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 37 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 58 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 58 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 28 29 2 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 58 1 M END