IBS-ZINC05177958 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 -0.0200 1.3820 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 0.0020 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 -0.6820 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 0.0350 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 1.4210 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 2.0920 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5800 2.1440 0.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5530 3.4930 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7310 4.2100 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0430 3.5380 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1240 2.3280 -0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1510 4.3010 0.1710 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0760 5.6350 0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1120 6.2640 0.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9190 6.3110 0.2950 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7310 5.6790 0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6880 6.3040 0.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9450 7.7710 0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 8.3870 -0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8290 8.6940 -1.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8790 9.2600 -2.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1020 9.5190 -3.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2750 9.2110 -2.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2230 8.6500 -1.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1520 10.0710 -4.7120 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 -2.1590 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2950 -2.7510 0.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 1.9090 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9320 -0.5490 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3560 -0.4880 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 3.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4290 1.6760 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6100 4.0130 -0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0220 3.8740 0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0450 8.1090 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8240 8.0730 0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 8.4910 -1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9640 9.4990 -3.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2300 9.4130 -3.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1370 8.4140 -1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -2.8480 0.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -3.8130 0.0960 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 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 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 26 27 2 0 0 0 0 26 41 1 0 0 0 0 41 42 1 0 0 0 0 M END