IBS-ZINC04037891 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -0.8350 1.0540 0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 0.0300 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 -0.1680 0.8660 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -0.7050 -1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 -2.0330 -1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -2.3970 -2.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 -3.5690 -3.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -1.2110 -3.4630 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1880 -0.0500 -2.5760 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7320 0.5380 -2.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 0.8160 -2.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 2.2090 -2.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 3.0270 -2.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6770 2.4670 -3.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7870 1.0890 -3.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6690 0.2670 -3.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 -1.1160 -4.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 -2.2580 -5.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 -2.1660 -7.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 -0.9270 -7.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 0.2170 -6.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2970 0.1240 -5.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7720 -0.8270 -9.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -1.9170 -9.8380 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2030 -2.9540 -0.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 2.0560 0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6710 0.9170 -0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 0.9380 1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 2.6710 -2.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3590 4.1020 -2.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5490 3.1040 -3.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7440 0.6500 -3.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7870 -0.8050 -3.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -3.2560 -5.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 -3.0770 -7.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 1.1980 -7.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 1.0570 -4.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -3.8290 -0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 0.3430 -9.6850 O 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 39 2 0 0 0 0 25 38 1 0 0 0 0 M CHG 1 24 -1 M END