PUBCHEM-ZINC06170031 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 51 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.6190 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 0.1370 2.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 -0.4950 3.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -1.8900 3.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 -2.6410 2.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -2.0090 1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -2.7500 0.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 -3.0910 -1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 -3.9990 2.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 -4.5820 3.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 0.3100 4.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 1.5240 4.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0840 -0.3010 5.2140 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 0.4970 6.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3270 -0.4340 7.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9410 0.3650 8.3800 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5590 -0.2460 9.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6070 -1.4600 9.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1800 0.5600 10.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1270 1.9540 10.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7080 2.7000 11.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3420 2.0700 12.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3980 0.6880 12.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8160 -0.0700 11.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0790 0.0220 13.6810 N 0 3 0 0 0 0 0 0 0 0 0 0 8.5890 0.6900 14.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1300 -1.1940 13.7320 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 1.2150 2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 -2.3810 3.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 -2.1790 -1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -3.6710 -0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 -3.6810 -1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 -4.2740 4.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 -5.6680 3.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0810 -4.2470 3.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1210 -1.2700 5.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4690 1.1390 5.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9370 1.1140 6.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 -1.0750 7.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0880 -1.0500 6.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9030 1.3330 8.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6330 2.4470 9.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6670 3.7780 11.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7950 2.6580 13.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8560 -1.1480 11.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 7 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 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 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END