IBS-ZINC05354430 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 0 0 1 0 0 0 0 0999 V2000 0.6560 0.5910 2.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 1.2860 1.6040 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0440 1.2830 0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4820 2.7520 2.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 3.0480 2.5070 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6310 0.6010 1.6050 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 -0.6390 1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -1.2560 0.4170 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2950 -1.1980 1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5950 -1.1810 2.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 -2.1010 3.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7430 -3.4620 3.1210 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5020 -3.6300 1.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3710 -2.6850 0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0020 -4.5130 3.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2030 -4.3780 5.1920 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0100 -5.7160 3.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2690 -6.9560 4.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6770 -6.9670 4.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1900 -8.0450 2.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1890 -7.2310 5.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2930 -0.3710 0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1080 -0.2680 -0.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9750 0.4850 -1.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0470 1.1550 -1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2500 1.0690 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3820 0.3170 1.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 1.0870 2.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 0.5870 3.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -0.4520 2.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3660 1.1650 2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5280 -0.1700 3.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6240 -1.5240 3.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6200 -1.7770 3.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9300 -2.0650 4.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4360 -3.4470 1.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6930 -4.6580 1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4140 -3.0260 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 -2.7970 -0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4240 -6.6800 3.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9370 -7.9580 5.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7730 -6.2570 5.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 -8.0430 2.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3700 -9.0430 3.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9240 -7.8600 2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2400 -6.5230 5.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2890 -8.2380 5.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 -7.1320 4.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2700 -0.7670 -1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8050 0.5530 -2.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7180 1.7480 -1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0840 1.5940 0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5820 0.2960 2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 3.4660 2.0180 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 54 1 0 0 0 0 6 7 1 0 0 0 0 6 31 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 14 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 M CHG 1 54 -1 M END