OTAVA-ZINC05332927 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 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 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -0.7490 2.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 -1.2070 3.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0690 -1.4200 3.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7680 -1.1720 2.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0960 -0.7200 1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7450 -1.8820 4.5960 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1920 -2.1060 4.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6710 -2.6010 5.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8820 -2.7510 6.7940 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9770 -2.8760 6.0740 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4180 -3.3300 7.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7200 -3.6370 7.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8970 -4.0900 8.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7510 -4.1140 9.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4130 -3.5750 8.6610 S 0 0 0 0 0 0 0 0 0 0 0 0 9.2070 -4.4850 9.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6280 -3.9520 10.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8480 -4.3230 11.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6530 -5.2210 10.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2410 -5.7530 9.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0200 -5.3940 8.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9850 -5.6220 11.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8160 -3.5220 6.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4360 -2.4800 6.5450 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1370 -4.5710 5.8530 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2350 -4.3850 4.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4510 -5.6720 4.1230 C 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 -1.0340 -0.5830 2.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 -1.3980 4.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8340 -1.3370 2.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6370 -0.5310 0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 -2.0550 5.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4170 -2.8510 3.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6960 -1.1710 4.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6080 -2.7560 5.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6620 -4.4190 10.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0010 -3.2510 11.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1760 -3.9110 12.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8740 -6.4530 8.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6970 -5.8120 7.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8550 -6.4980 11.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6770 -5.8600 10.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3860 -4.8000 11.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9970 -3.5700 4.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1430 -4.1420 5.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2750 -5.5330 3.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6890 -6.4870 4.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5430 -5.9140 3.5710 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 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 44 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 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 M END