IBS-ZINC04089785 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 57 0 0 0 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 1.2700 -0.7400 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 -0.0610 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6700 -0.7870 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6440 -2.1960 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 -2.8640 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2430 -2.1500 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -2.7960 -0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1070 -2.1270 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1520 -2.7540 0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 -0.7170 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4800 -0.0040 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0100 0.1340 -1.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3380 0.8470 -1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8130 1.2090 -0.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9960 1.0820 -2.5200 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2870 1.7750 -2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2470 1.5180 -3.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5240 2.8610 -3.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9240 -2.6220 -0.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7810 -1.5870 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0990 -0.4200 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6700 0.9480 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4200 1.3930 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9490 2.6680 1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7370 3.5040 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9940 3.0680 -1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4640 1.7940 -1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2830 -1.7090 -0.0740 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 2.5130 1.0180 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 -3.9440 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1900 -0.5770 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 0.9860 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 0.7070 -1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1370 -0.8560 -1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6160 0.7930 -3.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7220 1.9270 -1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9180 0.8330 -4.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3140 1.5000 -3.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1140 3.7280 -3.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7190 3.0600 -4.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5850 0.7410 1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5290 3.0130 1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1530 4.5000 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8310 3.7250 -1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8880 1.4530 -1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5620 -2.7630 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6790 -1.2220 -0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6950 -1.2320 0.8150 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 12 2 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 7 2 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 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 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 30 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 M END