IBS-ZINC00554467 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 41 0 0 0 0 0 0 0 0999 V2000 2.5110 -0.4480 1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 -0.9380 0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -0.7020 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1710 -1.1520 0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1760 -1.8380 -0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0760 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 -1.6190 -0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.7720 -2.4190 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 -4.1460 -2.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 -4.8340 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 -6.2050 -1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 -6.9160 -2.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 -6.2680 -3.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 -4.8690 -3.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -4.1920 -4.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 -2.8180 -4.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 -2.0360 -6.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 -2.5740 -7.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 -0.6930 -5.9760 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 -0.1460 -6.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3490 -0.1070 -4.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 1.1060 -4.7240 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 -0.7660 -3.6230 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 -2.0870 -3.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 -8.3900 -2.3870 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6400 -8.9740 -1.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 -9.0190 -3.4300 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9290 -1.2170 1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2140 -0.2280 0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 0.4570 1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.1660 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -0.9660 1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 -2.1890 -0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 -1.7990 -1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -4.2920 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 -6.7330 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -6.8290 -4.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -4.7410 -5.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 24 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END