IBS-ZINC04827598 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3850 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 -0.6910 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 0.0080 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 1.4230 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 2.1020 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6620 2.1350 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7090 3.3520 -0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7910 1.3890 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7160 0.0180 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5770 -0.6350 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9620 -0.7500 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9240 -2.0970 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1770 -2.8700 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1410 -4.2680 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3190 -4.9840 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5350 -4.3230 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5790 -2.9400 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4090 -2.2090 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7950 -5.1000 -0.1220 N 0 3 0 0 0 0 0 0 0 0 0 0 10.7600 -6.3170 -0.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8670 -4.5220 -0.1290 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0420 2.0190 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 2.3260 1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9090 2.9460 1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5170 3.2640 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8930 2.9610 -1.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6580 2.3330 -1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0450 2.0300 -2.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.9070 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.5490 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 -1.7710 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 3.1820 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9130 -0.2370 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9730 -2.6100 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1930 -4.7850 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2920 -6.0640 -0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5320 -2.4310 -0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4450 -1.1300 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2020 2.0800 2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 3.1850 2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4820 3.7490 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3700 3.2110 -2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4710 2.7320 -2.7650 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 28 29 1 0 0 0 0 29 44 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END