IBS-ZINC02199309 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 72 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5290 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 0.0000 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 -0.4870 1.1420 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -0.7480 2.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 -2.2000 2.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 -0.7010 1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7450 -1.1620 2.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1090 -1.3740 2.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8130 -1.1270 1.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 -0.6680 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7900 -0.4600 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3020 -1.3590 0.9840 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6970 -1.3670 2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5900 -2.7030 0.3130 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1890 -2.6960 -0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9340 -3.8300 1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5050 -3.8530 2.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0160 -4.0860 2.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6720 -2.9530 1.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1040 -2.9270 0.2590 C 0 0 3 0 0 0 0 0 0 0 0 0 8.7500 -1.7700 -0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4020 -0.4500 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5780 1.0360 0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0470 2.1110 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6280 1.8090 -1.2130 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8210 3.4080 0.0960 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3400 4.4090 -0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4230 4.2050 -2.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9360 5.1960 -2.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3660 6.3900 -2.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2850 6.5960 -1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7680 5.6120 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3820 -4.1670 -0.3940 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9060 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 1.8910 -0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 1.8810 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0220 -0.3770 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -0.3520 -0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -0.5780 3.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 -0.0790 2.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 -2.3700 1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -2.8690 2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0870 -2.3940 3.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1960 -1.3550 3.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6270 -1.7320 3.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7070 -0.4760 -1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -0.1050 -0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8580 -3.6640 1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1340 -4.7840 0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3050 -2.9000 3.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0380 -4.6580 3.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4250 -4.1070 3.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2170 -5.0370 1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4680 -2.0020 2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7490 -3.1160 1.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8320 -1.9000 -0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3710 -1.7560 -1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7910 -0.4610 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8480 0.3780 -0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0510 1.1760 1.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4960 1.0960 0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2980 3.6470 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0870 3.2730 -2.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0010 5.0380 -3.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7670 7.1630 -3.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6220 7.5300 -0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 5.7760 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3240 -4.3720 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9430 -0.2820 0.2180 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 41 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 2 0 0 0 0 7 8 2 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 45 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 46 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 69 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 22 69 1 0 0 0 0 23 24 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 23 69 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 62 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 63 1 0 0 0 0 29 30 1 0 0 0 0 29 64 1 0 0 0 0 30 31 2 0 0 0 0 30 65 1 0 0 0 0 31 32 1 0 0 0 0 31 66 1 0 0 0 0 32 67 1 0 0 0 0 33 68 1 0 0 0 0 M END