IBS-ZINC05026876 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 0 0 0 0 0 0999 V2000 -0.0670 1.6380 -2.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 0.2110 -2.3230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 -0.4390 -2.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3360 0.2810 -1.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5140 -0.3820 -1.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5350 -1.7620 -1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3800 -2.4870 -1.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 -1.8290 -1.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -2.5400 -2.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 -3.9640 -2.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8220 -2.4800 -1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5710 -2.7860 -2.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8220 -3.4830 -2.1160 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9410 -2.7630 -1.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9240 -1.5480 -1.9580 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1860 -3.4870 -1.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3720 -2.8170 -1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3770 -1.4730 -1.2460 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.6460 -0.7520 -1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3710 0.7490 -1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7920 1.2150 -2.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1120 -4.9580 -1.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0980 -5.6260 -1.2890 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9210 -5.5450 -1.7780 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8280 -4.8220 -2.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7860 -5.4120 -2.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 2.0290 -2.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 1.9470 -3.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 2.0260 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 1.3590 -1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4190 0.1800 -1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3990 -3.5650 -1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 -4.2490 -1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 -4.3200 -2.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 -4.4070 -2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5990 -3.4120 -0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4410 -1.8480 -0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7940 -1.8540 -2.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9520 -3.4180 -3.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2960 -3.3690 -1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5390 -0.9830 -1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2630 -0.9470 -1.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1680 -1.0910 -0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3070 1.2770 -0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6820 0.9350 -0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5910 2.1610 -2.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8550 -6.5120 -1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 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 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 M END