PUBCHEM-ZINC01656645 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 -0.4750 1.3990 0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 -0.1160 0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 -0.5640 1.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -1.8780 1.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -2.6280 0.5930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5580 -2.4170 2.6110 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2420 -3.7220 2.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0810 -4.2330 3.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 -5.1230 4.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3110 -5.5920 5.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -5.1710 5.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1600 -4.2820 4.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3920 -3.8160 3.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 -2.6830 3.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -1.4040 4.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 -0.5340 5.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 0.6390 5.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 0.8960 4.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9090 -0.0250 3.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -1.1280 3.6640 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0350 2.0340 5.1700 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5740 -1.4360 3.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5120 -1.0460 2.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5150 -1.5080 0.9930 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5360 -0.0570 2.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5090 0.3490 1.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4620 1.2730 1.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4560 1.7960 3.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4940 1.3980 4.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5320 0.4790 3.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 1.8940 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 1.7360 -0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 1.6470 1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2470 -0.6100 0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 -0.3630 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4850 -4.4630 1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8790 -3.5400 1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 -5.4510 4.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 -6.2860 6.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2220 -5.5370 6.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1840 -3.9530 4.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8150 -3.1250 2.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 -3.4300 3.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 -3.0500 4.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5050 -0.7670 5.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 1.3370 6.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8780 0.1650 3.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6600 -1.7540 3.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5710 -1.0680 3.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5160 -0.0590 0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2160 1.5880 1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2040 2.5190 3.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4950 1.8100 5.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7790 0.1720 4.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 M CHG 1 20 1 M CHG 1 21 -1 M END