IBS-ZINC05252745 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 0 0 0 0 0 0999 V2000 -0.0490 1.5010 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 0.1100 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 -0.5750 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4190 0.1100 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 1.5180 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 2.2060 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7080 -0.6180 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8320 0.1290 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9710 -0.5990 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3300 -0.1910 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0150 1.0370 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4170 1.0260 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1280 -0.1780 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4660 -1.4100 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0730 -1.3690 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2510 -2.4580 -0.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9740 -1.9810 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7920 -2.7080 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 -1.9750 -0.0310 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 -4.0840 -0.0590 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -4.8090 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7950 -6.3140 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4960 -7.1230 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 -8.6260 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4910 -9.4440 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6870 -10.9650 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8790 -11.3790 -0.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 2.0340 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 -0.4470 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 -1.6630 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2880 2.1010 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 3.2930 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4710 1.9770 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9590 1.9690 -0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2160 -0.1560 -0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0050 -2.3500 -0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6560 -4.5840 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9480 -4.5510 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9220 -4.5370 -0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3820 -6.5710 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4070 -6.5850 0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 -6.8690 0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8870 -6.8530 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3670 -8.8770 -0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3930 -8.8930 0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9070 -9.1940 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 -9.1780 -0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -11.6270 -0.0620 O 0 5 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 30 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 19 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 33 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 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 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 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 M CHG 1 48 -1 M END