IBS-ZINC05426499 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 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 3 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 0.7420 -0.5110 1.2420 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 0.0110 1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0850 -0.7620 1.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -1.9760 1.2340 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -2.6670 1.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2380 -2.0760 2.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -4.1730 1.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5560 -4.7040 2.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 -6.2340 2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8100 -6.7570 2.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9930 -7.1210 4.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2810 -7.5450 4.4100 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6490 -7.8560 5.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9760 -7.4610 3.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0870 -6.9590 2.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5240 -6.7620 0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8150 -7.0550 0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6970 -7.5480 1.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2850 -7.7570 2.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -0.4990 0.0120 O 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 1.5260 -2.4480 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -4.5300 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 -4.5280 2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 -4.3480 3.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4080 -4.3500 1.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -6.5910 1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 -6.5890 2.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2350 -7.0860 4.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8430 -6.3790 0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1530 -6.9020 -0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7150 -7.7750 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9790 -8.1390 3.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 -1.4640 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 1.3340 1.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3070 1.6200 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 24 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 41 1 0 0 0 0 8 9 1 0 0 0 0 8 28 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 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 41 42 1 0 0 0 0 M END