IBS-ZINC05163418 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 0 0 0 0 0 0999 V2000 -0.3520 1.0130 0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 1.0650 2.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 2.9980 1.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0080 3.4380 0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 4.9650 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8790 5.3860 -0.9400 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0870 6.7330 -1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5600 7.6260 -0.3590 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7390 8.9290 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4920 9.3470 -1.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0300 8.3800 -2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8040 7.0940 -2.2360 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7860 8.7490 -3.6000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1570 8.2280 -3.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9720 8.7080 -4.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3230 8.2920 -5.9050 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9860 8.7820 -6.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1510 8.3030 -4.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7150 10.7870 -1.9160 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.9340 11.4090 -2.6130 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6810 11.3510 -1.4320 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.1840 9.8580 0.3050 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3730 -0.0770 0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6810 1.3570 0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 1.3740 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 1.4670 2.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 -0.0250 2.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 1.4050 3.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 3.4100 1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6460 3.3620 2.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5400 3.0740 -0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0140 3.0260 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5520 5.3290 1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0780 5.3770 0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2590 4.7210 -1.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1320 7.1380 -3.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6160 8.5920 -2.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9720 8.2780 -4.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0420 9.7960 -4.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5510 8.4060 -6.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9990 9.8720 -6.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1470 8.7210 -4.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0940 7.2140 -4.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6610 9.5590 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3190 10.8060 0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 1.5320 1.4990 N 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 46 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 46 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 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 22 44 1 0 0 0 0 22 45 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END