IBS-ZINC04028361 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 0.0810 0.9870 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 1.3500 2.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 2.3560 3.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6310 2.4530 3.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 3.0260 4.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5510 3.1410 4.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3870 2.6780 3.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8370 2.1050 2.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4570 1.9900 2.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9090 1.3520 1.2830 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0230 0.2710 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6880 1.8660 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6420 3.3720 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9060 4.0110 0.8950 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7530 5.4140 0.7850 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4390 4.1190 -0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0170 5.3530 -0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7530 6.0160 -1.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9150 5.5020 -2.7930 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3880 4.3430 -3.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6320 3.6150 -2.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6520 1.6510 1.6750 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1790 0.3310 1.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6830 2.9030 4.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6180 3.8760 5.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3210 3.6560 5.8160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 -0.0890 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 1.2140 -0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 1.3200 -0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 1.4110 2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 0.3420 2.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 2.0290 4.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 3.3340 3.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 3.3850 5.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2390 1.4740 -0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7240 1.5350 0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1850 5.8030 1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8890 5.7790 0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2030 6.9690 -1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5470 3.9600 -4.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 2.6690 -2.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7380 0.0610 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3600 -0.3740 1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8420 0.2990 2.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6910 4.8860 4.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4050 3.6970 5.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 1.6800 1.1190 N 0 0 0 0 0 0 0 0 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 1 47 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 47 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 47 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 15 37 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 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 M END