IFLAB-ZINC04248455 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 0.1100 1.4300 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 -0.0760 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3510 -0.7640 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 -2.1130 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -2.8270 0.1380 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 -4.1700 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 -4.3150 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 -3.1040 0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 -2.1840 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 -0.7760 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 -5.6260 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1670 -5.6300 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8900 -6.9050 1.2290 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8510 -7.1350 2.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1190 -6.2870 2.9700 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5940 -8.4460 2.1430 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.0100 -9.1980 1.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8340 -8.9030 3.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8460 -8.0140 4.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6490 -7.2270 3.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6740 -7.0850 2.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9530 -8.2680 1.4540 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.5480 -9.1730 1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7440 -7.9920 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6240 -7.9410 -0.4650 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 1.8080 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3630 1.7610 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4530 1.8110 0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 -0.2110 0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3170 -2.6320 0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -4.9650 0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 -0.2570 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6480 -5.7540 -0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 -6.4440 0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6580 -5.5020 2.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8730 -4.8130 1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6760 -7.5830 0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2010 -9.9290 3.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8960 -8.8580 4.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9080 -8.0330 5.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3450 -6.6350 4.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7090 -7.0570 1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1770 -6.1580 1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8020 -7.8010 -0.8170 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6180 -7.6270 -1.7500 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 10 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 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 18 1 0 0 0 0 16 22 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 44 45 1 0 0 0 0 M END