IBS-ZINC04837366 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 0.0280 1.3380 0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -0.0470 0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 -0.7220 0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4450 -0.0160 0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 1.3860 0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 2.0560 0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6800 2.1480 0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7410 1.5610 0.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 3.4950 0.2980 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8470 4.2190 0.1920 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8200 5.5680 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0030 6.2830 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3090 5.6100 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3810 4.4000 -0.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4220 6.3720 0.0660 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3570 7.7060 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8220 8.5920 0.1800 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2060 8.3830 0.2960 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0130 7.7520 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 8.3780 0.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2430 9.8430 0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6030 10.2620 1.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6420 11.7860 1.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8680 12.4140 0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5080 11.9940 -0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4690 10.4700 -0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6260 -0.6780 0.3380 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 1.8580 0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 -0.6020 0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -1.8020 0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 3.1360 0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8060 3.9640 0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6940 3.7510 0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8740 6.0880 0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2890 5.9450 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2780 10.1830 0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5680 9.9220 1.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1540 9.8150 2.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1860 12.0850 2.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6770 12.1270 1.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8330 12.0730 0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8960 13.5000 0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9570 12.4410 -1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5430 12.3350 -0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 10.1710 -1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4340 10.1300 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8950 -0.8780 -0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 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 27 47 1 0 0 0 0 M END