IBS-ZINC05030804 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -1.9930 -0.1160 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5750 -2.6820 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6360 -2.0910 -0.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 -4.1370 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5950 -4.9120 -1.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5570 -6.3180 -1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5770 -7.2610 -2.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 -6.9300 -3.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6550 -7.9330 -4.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7100 -7.5880 -5.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 -6.2500 -6.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 -5.2520 -5.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6690 -5.5700 -3.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6490 -4.5970 -2.7880 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5030 -6.3330 0.2830 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4980 -5.0630 0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 -4.7430 2.1110 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4550 -7.4940 1.0660 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 -8.0150 1.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2600 -9.2370 2.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 -9.8360 2.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3930 -10.9790 3.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 -11.5340 3.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -10.9470 3.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -9.8030 2.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -11.4980 3.6660 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 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 -1.9160 -0.2570 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -0.1020 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 -2.4640 -0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6270 -8.9740 -4.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7270 -8.3620 -6.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7890 -6.0020 -7.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7520 -4.2200 -5.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 -3.8130 2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 -5.4470 2.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 -7.5530 1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3980 -9.4040 2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3080 -11.4410 3.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 -12.4290 4.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 -9.3470 2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5290 -12.1520 3.0320 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 4 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 20 2 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 15 16 2 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 47 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 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 M END