IBS-ZINC04808809 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 0 0 0 0 0 0999 V2000 0.0950 1.1820 0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -0.0200 0.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 -0.6480 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 -0.1160 0.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4920 -0.7490 0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 -1.9320 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5610 -2.4640 -0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 -1.8190 -0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 -2.3760 -1.3590 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3280 -3.4020 -2.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8810 -1.8090 -1.3310 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.9480 -2.6120 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1000 -1.8890 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0490 -0.4580 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0090 0.6780 0.1680 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3960 -2.5810 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6120 -1.9620 0.3980 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7720 -1.0050 0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5690 -2.9550 0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9500 -2.9530 0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6340 -4.1490 0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9510 -5.3540 0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5920 -5.3780 0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8760 -4.1770 0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5600 -3.8830 0.2730 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 1.5820 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6100 1.9150 0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 0.9650 1.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 0.7960 1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3270 -0.3350 1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6770 -3.3750 -1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9940 -3.6850 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4880 -2.0180 0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7090 -4.1480 0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4990 -6.2840 0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0700 -6.3210 0.4060 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 3 0 0 0 0 16 17 1 0 0 0 0 16 25 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 23 2 0 0 0 0 22 35 1 0 0 0 0 23 24 1 0 0 0 0 23 36 1 0 0 0 0 24 25 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END