IBS-ZINC05387691 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 59 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3830 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 1.1980 -0.6870 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 0.0230 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4280 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 2.0980 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6990 1.8400 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 2.7560 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 0.7090 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7050 -0.3560 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9440 0.6920 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8370 1.8590 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1960 1.3100 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2260 2.1290 -0.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0240 3.4530 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1200 4.3360 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9080 5.6790 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6150 6.2000 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5300 5.3790 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7100 3.9830 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6510 3.1650 -0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0730 -0.0640 -0.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7590 -0.4290 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3060 -1.7270 -0.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1990 -1.0020 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6040 -1.3360 1.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9980 -2.8030 2.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1390 -3.8210 2.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2910 -3.1980 2.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0690 -2.6740 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9370 -1.6440 0.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9060 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.5530 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -1.7670 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 3.1780 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1280 3.9480 -0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7520 6.3520 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4720 7.2710 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5350 5.7970 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3530 -1.9080 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9390 -2.4620 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9040 -1.9160 -0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0430 -0.5480 -0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 -0.4220 1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7600 -1.7900 1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1000 -3.2890 3.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2810 -1.9850 3.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3770 -4.1720 3.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8350 -4.6650 1.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9800 -2.1960 0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7920 -3.4850 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2360 -0.8080 1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7260 -1.2840 -0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7330 -2.2760 1.3350 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 23 2 0 0 0 0 12 13 1 0 0 0 0 12 21 2 0 0 0 0 13 14 2 0 0 0 0 13 22 1 0 0 0 0 14 15 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 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 M END