IBS-ZINC06664818 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 59 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.6930 -0.4770 1.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -1.8220 1.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 -2.6720 0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 -4.0400 0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -4.5740 1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 -3.7440 2.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4720 -2.3580 2.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0620 -1.4640 3.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9680 -0.2580 3.3030 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7050 -1.9830 4.4920 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2920 -1.0950 5.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9480 -1.9210 6.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9270 -3.1320 6.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5570 -1.3130 7.6130 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 -2.1050 8.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6490 -1.6310 8.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6640 -0.1220 9.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0450 0.6020 7.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5950 0.1520 7.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0830 0.3470 9.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4470 1.2200 10.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7870 1.4120 10.1200 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3380 1.9840 10.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2060 0.6510 9.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1770 0.0180 8.5800 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4770 1.8230 11.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0570 1.5980 10.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 -2.2630 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -4.6980 -0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 -5.6450 1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0830 -4.1650 3.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 -2.9450 4.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0370 -0.4540 5.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5080 -0.4790 5.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6650 -1.9640 9.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1890 -3.1600 8.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1080 -2.1400 9.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2070 -1.8590 7.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0760 1.6780 8.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6070 0.3600 6.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1840 0.5860 6.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0100 0.4800 8.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2230 0.5780 8.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5850 1.3360 12.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6690 2.8910 11.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3320 1.8430 11.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8930 2.2370 9.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8960 0.1900 10.2870 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9220 -0.0420 10.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 19 55 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 55 56 1 0 0 0 0 M END