IBS-ZINC05516372 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 58 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 -1.8250 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -2.6730 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 -4.0430 0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 -4.5710 1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5710 -3.7320 2.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 -2.3570 2.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 -1.5050 3.3680 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4780 -1.7120 3.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0610 -0.7100 4.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4090 -0.8880 5.7790 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 -0.6800 5.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -1.6820 4.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9630 -0.0440 6.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4900 -0.0460 8.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0890 0.8280 8.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4080 0.6170 10.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5520 1.1810 11.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7420 0.7620 12.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7830 -0.2170 12.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6290 -0.7830 11.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4380 -0.3740 10.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 -0.7590 8.7040 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9380 -1.4320 8.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5920 2.2440 11.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0770 1.6240 8.5540 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4880 1.5910 7.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9550 0.7790 6.4090 N 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 -0.2570 -2.2640 -0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -4.7020 -0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 -5.6420 1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 -4.1480 3.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 -2.7270 3.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9400 -1.5630 2.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1330 -0.8810 4.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8870 0.3040 4.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4960 -0.8290 6.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7600 0.3350 5.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 -1.5110 4.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 -2.6970 5.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8530 1.1980 13.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 -0.5390 13.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 -1.5450 10.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1580 3.2260 11.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9360 2.1900 12.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4350 2.0860 11.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2900 2.2470 7.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 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 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 30 2 0 0 0 0 17 18 2 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 27 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 2 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 M END