IBS-ZINC05046790 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 1 0 0 0 0 0999 V2000 -0.0250 1.4190 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 0.0340 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 -0.6680 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 0.0050 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 1.4150 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.1080 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 2.1600 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4760 1.9530 -0.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8940 3.0700 0.9350 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9670 3.2470 2.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 3.1930 3.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8610 4.1190 3.2850 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8020 3.8280 2.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1010 3.9110 0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6220 -0.6220 -0.1480 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -2.0930 -0.0940 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5300 -2.4270 0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4360 -2.5700 -0.9020 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4260 -2.1240 -1.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 -2.1470 -0.0600 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3520 -2.4860 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -2.9680 -0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -4.0870 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1620 -4.0770 -0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9010 -2.6260 -0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5580 -1.9330 -1.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9570 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 -0.5020 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 3.1880 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 4.2120 1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 2.4480 2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1310 3.4580 4.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1650 2.1850 3.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6170 4.5510 2.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1990 2.8230 2.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7710 3.5520 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8210 4.9440 0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2660 -0.2340 0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 -2.7020 -0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -4.8860 -1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6640 -4.5340 -1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4540 -4.5630 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3090 -3.8710 -0.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -4.1690 -0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 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 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 25 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 24 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 43 44 1 0 0 0 0 M END