IBS-ZINC01838354 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 1.7800 1.2650 -2.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0790 -0.0540 -1.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 -0.4670 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5530 0.4490 0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 1.7760 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3620 2.1800 -1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 3.5540 -1.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1670 4.1210 -1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 3.5010 -0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 2.3110 -0.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 4.4310 -0.8070 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1090 5.6290 -1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4570 5.7820 -1.7450 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 6.7220 -1.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3630 6.5610 -0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6460 7.3480 0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8160 8.9560 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5740 8.1140 -1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5670 9.6120 1.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5450 11.1190 1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9310 11.8160 2.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2370 12.3420 3.6080 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 0.0390 1.9300 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9420 0.8660 2.7370 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7140 -1.1280 2.2120 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8670 1.5620 -3.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 -0.7610 -2.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 2.4920 0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8780 4.1270 -1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9970 6.9320 -1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6380 5.5120 -0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7120 7.3150 0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0540 6.9720 1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 8.6220 0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6300 10.0110 -0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 8.2350 -1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1800 8.5040 -2.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8340 9.3020 2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5640 9.3000 1.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5470 11.4520 1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2360 11.3820 0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2710 8.8280 0.3610 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.8780 9.1910 -0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2630 -1.7780 -0.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 -1.9520 0.7800 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 44 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 42 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 3 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 42 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M CHG 1 42 1 M END