IBS-ZINC02118449 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 0.0860 0.8390 0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3510 1.5320 3.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 2.5450 3.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6030 2.2800 3.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4140 2.6160 4.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7510 2.2970 4.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3080 1.6600 3.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5420 1.3270 2.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1680 1.6850 2.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 1.3990 1.4760 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3820 0.3240 1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7600 2.2100 0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 3.6800 0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 3.9850 0.8970 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4020 4.6770 -0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8790 6.0910 -0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3070 7.0350 0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8440 8.3490 0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9450 8.7310 -0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5040 7.8000 -1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 6.4780 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 5.4930 -2.1440 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 5.8440 -3.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9690 0.6600 1.5880 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3230 0.2260 1.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6370 1.4290 4.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8470 1.9910 5.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6500 2.5440 5.8910 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 -0.2180 1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 1.1540 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 1.0400 -0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 1.7510 3.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 0.4980 3.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 2.4640 4.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 3.5680 3.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0070 3.0950 5.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 1.8400 -0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8380 2.1280 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7060 4.3520 -1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2980 4.6360 0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0080 6.7540 1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1850 9.0760 1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5860 9.7570 -0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8030 8.1410 -2.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4630 4.9500 -3.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 6.6110 -3.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 6.1610 -2.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4650 -0.3030 0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5430 -0.4810 2.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0110 1.0780 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6020 2.7820 5.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2250 1.2050 5.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 1.6490 1.6810 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6480 2.6600 1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 53 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 26 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 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 53 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 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 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END