IFLAB-ZINC04166889 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 -0.9680 1.3280 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4530 -0.0880 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -0.6670 -1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -1.9660 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 -2.6860 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 -2.1060 1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 -0.8050 1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -2.8900 2.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 -4.3420 -0.0830 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7970 -4.4800 -1.3080 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6790 -4.5880 1.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -5.3380 -0.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -5.3010 -1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9790 -6.5400 -1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8550 -6.5020 -2.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8910 -7.5090 -3.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0280 -7.0850 -4.7850 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.3490 -5.5490 -3.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6360 -5.4800 -2.8960 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2820 -4.5080 -4.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0050 -4.6930 -5.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8650 -3.6890 -6.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9830 -2.5450 -5.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2890 -2.3990 -4.1740 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4620 -3.3280 -3.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 -2.5980 -2.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0530 1.3240 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 1.7910 1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 1.8950 -0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2110 -0.1050 -2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 -0.3510 2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 -2.8220 2.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 -2.4820 3.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -3.9350 2.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 -5.9460 0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6990 -4.4040 -1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 -5.2890 -2.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -7.4370 -1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6030 -6.5520 -0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 -8.4250 -3.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8930 -5.5960 -6.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4380 -3.7960 -6.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6530 -1.7600 -5.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9150 -3.1740 -2.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8080 -2.5030 -2.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 -3.6530 -2.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 -2.0950 -3.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 35 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 19 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 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 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 M END