IBS-ZINC04728720 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 0.0690 1.3600 -0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -0.1430 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3120 -0.6220 -0.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 -1.9350 0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 -2.6590 0.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8630 -2.4930 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0580 -3.8540 0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3330 -4.3720 0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4280 -3.5410 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2380 -2.1840 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9660 -1.6600 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7150 -4.0670 0.2620 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7310 -3.2980 0.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9360 -3.8130 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3050 -5.2470 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5650 -6.4220 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2100 -7.6420 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5900 -7.6930 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3340 -6.5320 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7010 -5.2950 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2020 -3.9990 -0.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.2160 -3.0890 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3560 -1.8790 -0.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 1.7200 -0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3930 1.5480 -1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 1.8830 0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -0.6660 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -0.3300 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2090 -4.5000 0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4840 -5.4240 0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0890 -1.5420 -0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8190 -0.6070 -0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8490 -5.0120 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4880 -6.3810 0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6380 -8.5570 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0890 -8.6500 -0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4090 -6.5850 -0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1440 -3.7790 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 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 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 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 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 22 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 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 M END