IBS-ZINC03998979 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 -0.1520 1.5010 -0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 -0.0050 -0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 -0.5960 -1.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 -0.6970 0.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 -2.0930 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -2.8230 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -4.2000 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -4.8580 -0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 -4.1270 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4010 -2.7460 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6700 -4.7880 -0.3540 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9170 -4.0190 -0.3410 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.7280 -3.0000 -0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9560 -4.6910 -1.2580 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.5560 -5.6150 -1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1500 -4.9950 -0.3210 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.0980 -4.7820 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9040 -4.0080 0.8490 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.2690 -3.0130 0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4650 -3.9990 0.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5700 -4.5140 2.1300 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.1560 -5.4860 2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3110 -3.5220 3.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8320 -4.0490 4.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9780 -4.6380 1.9180 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1090 -6.3480 0.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3520 -3.8000 -2.3030 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2890 -6.2560 -0.3790 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -6.9200 -0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -6.3050 -1.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 -8.4270 -0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 1.8800 -1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0510 1.8650 -1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 1.8480 0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 -0.2290 0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 -2.3140 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -4.7660 -0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3190 -2.1780 -0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6970 -5.7540 -0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2380 -3.3600 3.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8010 -2.5750 3.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7030 -3.4710 5.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4140 -3.8090 1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1690 -7.0040 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6280 -3.5320 -2.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 -6.7440 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 -8.7930 -1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -8.7820 -0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 -8.7960 -0.0380 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 2 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 27 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 26 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 25 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 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 47 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 M END