IBS-ZINC02217326 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7030 1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0930 1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.7470 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -3.9650 -0.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.0140 -1.2140 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.4620 -2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6700 -1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -0.0420 -2.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -2.5190 2.4840 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -1.3990 3.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -0.3330 2.4800 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -1.3750 5.0180 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 0.4110 5.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 0.6830 6.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 2.1700 7.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 2.9340 6.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -3.9060 2.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 -4.3700 3.1060 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0600 -4.2220 2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 -5.8540 3.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9090 -6.3160 3.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1080 -7.6220 3.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 -8.4330 4.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2310 -9.7740 4.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4790 -10.3160 4.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -9.5140 4.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4140 -8.1510 3.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5340 -7.3520 3.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7800 -7.8970 3.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9640 -9.2390 3.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9020 -10.0410 4.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 -3.6100 4.1340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 0.8640 4.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 0.8400 4.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 0.2300 7.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 0.2530 7.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 -3.9700 3.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 -4.5430 2.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 -5.9890 4.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -6.4230 2.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 -8.0280 4.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 -10.3940 4.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6070 -11.3570 4.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4070 -6.3100 3.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6400 -7.2810 3.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9630 -9.6480 3.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0590 -11.0790 4.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7540 -3.6940 5.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 2.6460 8.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 3.6070 8.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 54 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 34 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 31 32 2 0 0 0 0 31 50 1 0 0 0 0 32 33 1 0 0 0 0 32 51 1 0 0 0 0 33 52 1 0 0 0 0 34 53 1 0 0 0 0 54 55 1 0 0 0 0 M END