IBS-ZINC05219349 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -2.5210 0.5720 3.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 -0.8130 3.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 -1.1170 2.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 -2.4970 2.9610 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 -3.3460 2.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 -4.6860 2.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 -5.2130 3.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9940 -4.3670 3.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7890 -2.9790 3.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5940 -1.9470 3.6020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 -0.1960 2.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4300 -0.5980 2.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 1.2440 2.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 1.9360 3.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 3.3560 3.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 4.2320 4.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3600 3.5390 2.4710 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 2.2390 1.7940 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2550 1.9650 1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 2.2910 0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 1.7640 -0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 1.8110 -1.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6080 2.3870 -1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9110 2.9150 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9740 2.8710 0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5210 2.4340 -2.3470 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 4.8110 1.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 5.5060 1.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 7.5850 0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7050 6.5590 -0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 1.4080 5.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8710 0.9440 2.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3550 0.5370 4.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 1.2370 3.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -2.9470 2.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 -5.3500 2.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 -6.2820 3.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9530 -4.7610 3.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 1.3140 -0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 1.3990 -2.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8770 3.3650 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 3.2870 1.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 4.6230 1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2150 5.4500 2.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 5.6940 2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 4.8670 0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9420 7.0340 -0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8680 7.7940 1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 8.5240 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 6.0220 -0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 5.9710 -1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 7.5200 -0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 2.0530 5.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 6.7820 0.6830 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 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 2 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 31 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 27 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 28 54 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 54 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 54 1 0 0 0 0 31 53 1 0 0 0 0 M END