IBS-ZINC04089999 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 59 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.7640 1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -0.1080 2.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -0.8560 3.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -0.5160 5.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -1.6950 5.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -2.7140 4.8740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -2.2640 3.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -2.9090 2.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.1720 1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7960 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.1060 -1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.7120 -2.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.6950 -1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 0.0430 -2.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 0.2020 -3.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3650 0.9400 -4.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 1.3030 -4.7890 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5160 1.1970 -4.9740 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 1.9140 -6.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9160 2.0730 -6.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8870 2.8220 -8.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2200 2.9710 -8.6040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -4.4150 2.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 0.8410 5.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 1.1580 6.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 2.4230 7.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 3.3760 6.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 3.0680 5.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 1.8040 5.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 0.9710 2.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -1.8030 6.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 -0.5210 -3.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 1.0270 -2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 0.7660 -2.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8390 -0.7820 -3.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3620 0.9070 -4.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 1.3500 -6.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 2.8980 -6.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 2.6370 -6.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3610 1.0890 -6.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 2.2580 -8.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4410 3.8060 -7.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2780 3.4380 -9.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 -4.7920 2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 -4.7360 1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6100 -4.8050 3.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5790 0.4150 7.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 2.6690 8.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 4.3640 7.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6370 3.8160 5.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 1.5630 4.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 15 2 0 0 0 0 3 4 1 0 0 0 0 3 11 2 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 12 13 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 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 41 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 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 30 2 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 M END