IBS-ZINC05026997 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 -0.0600 0.4250 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -0.9440 -0.4630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 -1.2110 -1.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 -0.1770 -2.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 -0.4500 -3.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9420 -1.7530 -4.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4020 -2.7890 -3.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 -2.5230 -2.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -3.5410 -1.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 0.6760 -4.3840 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9750 1.6230 -4.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9220 0.7290 -4.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4920 0.5280 -5.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3930 0.3490 -6.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5490 0.1540 -7.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2010 0.4360 -5.8130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 0.3100 -6.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4180 1.6900 -6.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2970 2.1820 -7.9360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 3.4720 -8.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9450 3.8960 -9.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 3.0140 -10.6310 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6850 0.5030 -5.6930 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5960 0.9370 -2.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9060 1.2540 -1.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0060 0.8170 -2.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 1.7430 -2.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1840 1.3710 -2.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4040 0.1840 -3.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9360 -0.5450 -3.5500 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9480 0.8230 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 1.0000 -0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 0.4980 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 0.8420 -2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4470 -1.9620 -4.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 -3.8060 -3.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 -3.7520 -1.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 -0.3520 -7.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -0.1040 -5.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 1.6100 -7.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 2.3760 -6.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 3.4290 -8.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 4.1950 -7.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 4.9150 -9.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9540 3.8530 -9.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 3.2240 -11.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4610 1.3790 -1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5390 2.6720 -1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9870 1.9890 -2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3800 -0.2540 -3.2220 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 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 10 1 0 0 0 0 6 7 2 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 24 2 0 0 0 0 13 14 1 0 0 0 0 13 23 2 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 M END