IBS-ZINC05452008 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 1 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 1.0600 -0.5960 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -0.6940 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -2.1590 0.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2930 -2.5250 -0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 -2.7030 -0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0620 -2.5790 -1.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2800 -3.2080 -1.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8580 -3.9580 -0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2290 -4.0810 0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0060 -3.4520 0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 -3.4270 1.6080 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 -2.6960 1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 -2.5020 2.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5030 -4.1190 2.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9310 -5.5130 2.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 -5.7470 3.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 -7.0250 3.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 -8.0710 2.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 -7.8360 2.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6900 -6.5580 2.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 -9.3200 2.7180 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.9040 -3.0900 -3.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1540 -3.7650 -3.3380 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 -2.0020 -0.2200 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 -1.9930 -2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8060 -4.4490 -1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6850 -4.6670 1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 -3.5720 3.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5840 -4.1740 2.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -4.9300 3.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 -7.2070 3.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7570 -8.6510 1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6920 -6.3750 1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5430 -3.5890 -4.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0100 -4.8350 -3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8630 -3.3860 -2.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 24 25 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M END