PUBCHEM-ZINC04164042 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 58 0 0 1 0 0 0 0 0999 V2000 -0.0710 1.2060 -0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 0.5390 0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 -0.1280 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3080 -0.1190 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1730 0.5360 -1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 1.2010 -1.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5550 -0.8430 0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4440 -1.8650 1.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7160 -0.2380 0.0650 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0180 -0.7480 0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0870 0.0200 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3630 -0.5040 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6840 -1.6830 0.4060 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5840 -2.3380 0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2910 -1.9480 0.7620 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1900 0.4400 -0.7080 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3930 1.4770 -1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1140 1.2540 -0.8990 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6380 0.3730 -0.8310 C 0 0 3 0 0 0 0 0 0 0 0 0 10.9900 -0.4940 -0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1660 0.3870 -2.2880 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6180 1.1700 -2.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5610 0.9670 -2.0340 C 0 0 3 0 0 0 0 0 0 0 0 0 13.0690 1.3300 -2.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2480 2.0720 -1.0360 C 0 0 3 0 0 0 0 0 0 0 0 0 11.8160 2.9400 -1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1990 1.5530 -0.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4620 2.4990 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1200 3.6870 0.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1590 4.3790 1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3470 4.1170 0.9310 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6600 5.5320 1.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5970 6.4310 2.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1720 7.5360 3.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8120 7.7480 3.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8750 6.8540 2.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2950 5.7470 2.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3800 0.0660 -1.4170 F 0 0 0 0 0 0 0 0 0 0 0 0 11.2310 -0.8260 -2.8090 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9960 1.7230 -0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 0.5370 1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3290 -0.6500 1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9680 0.5190 -1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 1.7090 -2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6800 0.6660 -0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7590 -3.3070 1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8030 2.3630 -1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7370 1.7220 0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3050 2.7110 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6630 6.2800 2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9030 8.2320 3.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4830 8.6080 3.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8150 7.0180 2.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5430 5.0630 1.6670 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 40 1 0 0 0 0 2 3 2 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 3 42 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 6 44 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 45 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 17 47 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 38 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 37 2 0 0 0 0 33 34 2 0 0 0 0 33 50 1 0 0 0 0 34 35 1 0 0 0 0 34 51 1 0 0 0 0 35 36 2 0 0 0 0 35 52 1 0 0 0 0 36 37 1 0 0 0 0 36 53 1 0 0 0 0 37 54 1 0 0 0 0 M CHG 1 39 -1 M END