IBS-ZINC04994114 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 0 0 1 0 0 0 0 0999 V2000 -1.0100 7.5220 3.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 6.2060 3.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 5.3550 2.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 5.7250 0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 4.4740 0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9240 4.8360 -0.7740 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3250 5.2650 -0.7620 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4310 6.1770 -0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7090 5.5290 -2.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5650 5.2550 -2.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4780 4.8330 -2.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 4.5270 -2.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4760 5.3500 -4.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9370 5.9530 -2.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9790 6.0650 -1.8150 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1100 6.2840 -4.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1880 5.7560 -4.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3460 6.0690 -6.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4410 6.9040 -6.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3680 7.4340 -6.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2000 7.1320 -4.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4830 8.2540 -6.6970 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7190 8.5270 -8.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1940 4.1760 -0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1400 4.4820 0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9380 3.4830 1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7900 2.1770 0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8450 1.8670 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0480 2.8680 -0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1210 2.5660 -1.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0260 1.1980 -1.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 8.4300 3.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5610 7.0900 4.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7030 7.7640 2.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4110 5.7000 4.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 7.1130 4.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7040 5.5440 3.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 4.9430 2.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 4.6130 1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2140 6.4670 1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 6.1370 0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 3.7440 0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7910 4.0450 1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7970 6.3690 -2.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8960 5.1040 -4.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1780 5.6610 -6.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5710 7.1450 -7.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3680 7.5470 -4.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7030 7.5940 -8.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6920 9.0040 -8.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9420 9.1920 -8.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2580 5.5010 1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6760 3.7240 2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4140 1.3990 1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7300 0.8470 -0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2500 1.0960 -2.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7730 0.5830 -1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9820 0.8730 -2.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 6.5560 2.7660 N 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 59 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 2 59 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 3 59 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 44 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 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 M END