IBS-ZINC04029311 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 1 0 0 0 0 0999 V2000 1.0240 1.6570 2.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 3.0760 3.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 4.0170 3.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9900 3.2870 2.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2760 3.7990 2.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3480 3.1180 2.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1990 1.9490 1.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9430 1.4100 1.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 2.1210 1.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 1.6300 1.5360 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3050 0.6200 1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 1.5820 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0060 2.9450 -0.7100 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4690 2.7990 -1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3410 3.5980 -1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7450 4.7840 -0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0050 5.3410 -0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8810 4.7280 -1.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4750 3.5760 -2.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2140 3.0120 -1.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7390 1.8960 -2.6090 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5790 1.2860 -3.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1470 5.1510 -1.8170 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6540 6.2490 -1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 3.7930 0.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6790 0.2280 0.7830 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7500 -0.4280 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4100 1.4520 1.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3140 2.4540 1.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6480 3.5000 2.5070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 0.8160 3.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 2.3290 2.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 1.3090 1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 3.6360 3.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8830 2.2740 4.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 4.4620 4.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5230 4.8350 2.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4360 4.7060 3.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 1.0750 -0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8290 0.9340 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0940 5.2860 0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2700 6.2480 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1770 3.1370 -2.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 0.4260 -3.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5020 0.9120 -3.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7910 1.9720 -4.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6870 6.4220 -1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6700 6.0240 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0850 7.1610 -1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 4.5420 -0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3260 -1.2770 -0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4710 -0.8290 0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2260 0.2270 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8510 2.8980 0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0400 1.9710 2.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 2.4340 2.1880 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0670 3.1990 1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 56 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 56 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 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 38 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 26 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 56 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 56 1 M END