IFLAB-ZINC04503840 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5020 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -0.0040 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -0.6930 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2430 -2.0460 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -2.7560 -0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 -2.1100 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 -0.7070 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2530 -2.8200 -0.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2030 -4.1490 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 -4.7860 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -4.1050 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -4.6960 -0.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7010 -5.0770 0.0060 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0300 -6.7580 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1630 -7.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3110 -7.3620 0.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9000 -9.0740 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9480 -9.9970 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1790 -9.7220 -0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2130 -10.6320 -0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0250 -11.8210 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7920 -12.1000 0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7530 -11.1890 0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5860 -13.2650 1.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7530 -13.9850 1.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7250 -14.0440 0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0580 -12.7020 0.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8800 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 1.8640 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 1.8540 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1520 -0.1420 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1880 -2.5670 -0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 -0.1890 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4330 -6.9000 -0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4030 -6.9100 0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9850 -9.3860 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3290 -8.7970 -1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1700 -10.4170 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7940 -11.4050 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4750 -14.9960 2.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2250 -13.4710 2.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2510 -14.5520 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6290 -14.5790 1.0880 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 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 M END