IBS-ZINC05452127 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 0.0250 0.6620 -0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 0.5560 0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 0.5820 1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.7170 0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.8200 -0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 0.7960 -1.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7260 0.9380 -0.9480 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0980 1.0370 -1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4620 0.9010 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6770 0.7690 1.2640 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9490 1.0100 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5700 -0.0320 1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0800 0.0960 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6900 0.9250 0.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 -0.7560 2.1210 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1740 -0.6460 2.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5080 -0.3610 3.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3610 -1.5230 4.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0850 -1.7850 2.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2160 -1.2310 6.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2590 -2.6260 6.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8230 -3.5060 5.7770 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9740 -4.3630 6.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 0.6390 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9660 0.4540 1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 0.5010 2.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 0.8780 -2.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3460 0.8880 -0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2240 2.0200 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1610 0.0910 2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3230 -1.0380 0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6190 -1.5970 1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6000 0.1410 1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5890 -0.4100 3.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1230 0.6140 4.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9100 -0.5800 4.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9890 -2.3470 5.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0080 -1.8400 2.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5080 -2.7510 2.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5020 -0.5540 6.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2190 -0.7920 6.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8780 -2.6350 7.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2560 -2.9850 7.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8580 -1.4040 4.6730 N 0 3 0 0 0 0 0 0 0 0 0 0 10.2920 -2.3300 4.4660 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 44 1 0 0 0 0 19 38 1 0 0 0 0 19 39 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 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END