IFLAB-ZINC02687068 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -4.5300 -0.0230 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -4.9170 -1.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -4.9300 1.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -5.0430 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 -4.6780 -1.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6140 -5.0810 -1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5480 -4.7080 -2.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5990 -5.5590 -2.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7080 -6.7630 -1.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5770 -7.8010 -1.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6630 -8.9230 -1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8930 -9.0310 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0280 -8.0110 0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9300 -6.8710 -0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0900 -5.8650 -0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 -8.1270 1.5430 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4300 -9.3260 2.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3590 -3.4770 -2.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1420 -3.1960 -3.7990 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3180 -2.6630 -2.6480 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 -5.5960 0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3190 -5.3500 -3.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1790 -7.7220 -2.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3340 -9.7240 -1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9670 -9.9160 0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4650 -9.4200 2.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1640 -10.1840 1.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7750 -9.2900 3.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 -2.8870 -1.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1940 -1.8520 -3.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 15 2 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 M END